You are on page 1of 783

CHED 1

Green chemistry: The missing element


John Warner, john.warner@warnerbabcock.com.Warner Babcock Institute for Green
Chemistry, Wilmington, MA 01887, United StatesWarner Babcock Institute for Green
Chemistry, Wilmington, MA 01887, United States
Imagine if all consumers, all retailers and all manufacturers insisted on buying and
selling only non-toxic materials! The unfortunate reality is that, even if this situation were
to occur, our knowledge of materials science and chemistry would allow us to provide
only a small fraction of the products and materials that our economy is based upon. The
way we learn and teach chemistry and materials science is for the most part void of any
information regarding mechanisms of toxicity and environmental harm. Green Chemistry
is a philosophy that seeks to reduce or eliminate the use of hazardous materials at the
design stage of a materials process. It has been demonstrated that materials and
products CAN be designed with negligible impact on human health and the environment
while still being economically competitive and successful in the marketplace. This
presentation will describe the history and background of Green Chemistry and discuss
the opportunities for the next generation of materials designers to create a safer and
more sustainable future.
CHED 2
Products of the Target Inquiry project: Quality inquiry materials made for and by
high school teachers that stand up to student scrutiny
Ellen J. Yezierski1, yeziere@miamioh.edu, Deborah G. Herrington2. (1) Department of
Chemistry & Biochemistry, Miami University, Oxford, Ohio 45056, United States (2)
Department of Chemistry, Grand Valley State University, Allendale, MI 49401, United
States
The National Science Education Standards, many state science standards, and the
newly released Conceptual Framework for New Science Education Standards, call on
teachers to develop inquiry-based science programs. Designing such a program can be
a daunting task. Three cohorts of high school chemistry teachers have completed a
long-term professional development program known as Target Inquiry (TI) at Grand
Valley State University. One important product of TI is a peer-reviewed collection of
inquiry-based activities for high school chemistry teachers including research-based
guides for students and teachers. Not only are these activities teacher-designed and
teacher-tested, they have also been edited by chemistry faculty and revised based on
feedback from hundreds of teachers who used the activities with more than 30,000
students around the world. An overview of the activities, several specific examples, and
instructions to access them will be presented.
CHED 3

Chemistry and the Next Generation Science Standards (NGSS)


Melanie M Cooper, pollysakaride@gmail.com.Department of Chemistry, Michigan
State University, East Lansing, MI 48224, United States
The Next Generation Science Standards (NGSS) will be released in Spring 2013. They
are based on the NRC Framework for K-12 Science Education and are the first major
science and engineering standards reform initiative in almost twenty years. They reflect
what we have learned in that time about how children learn and what is needed to
promote deep meaningful learning for all students. The NGSS take the form of a set of
performance expectations, which integrate both disciplinary core ideas and science
practices. Underlying the standards is a set of crosscutting concepts that span across
all the disciplines. This presentation will discuss how the standards were developed,
and how chemistry core ideas are integrated within the standards. We will discuss the
changes in both content and pedagogy that will be needed to address the NGSS and
provide suggestions for how teachers might prepare.
CHED 4
A.S.P.I.R.E: A successful model for introducing project-based learning into at-risk
schools and neighborhood learning centers
Brian A. Salvatore, bsalvato@lsus.edu.Chemistry and Physics, Louisiana State
University Shreveport, Shreveport, LA 71115, United States
The After-School Program for innovation and Respect for Education (A.S.P.I.R.E.) is a
professionally guided mentorship program, whereby LSUS faculty members guide
college students to mentor middle and high school students in their own schools and
neighborhoods. The program's curriculum emphasizes project-based learning in
science, technology, engineering, and math (STEM) in some of Louisiana's most at-risk
public schools and residential areas. This program is open to students 11-18 with the
permission of their parents. The program's emphasis on project-based learning stands
in stark contrast to how students are currently being taught in most pubic schools. We
have covered a variety of scientific areas, including medicinal chemistry, embryology,
aeronautics, fluorescence, alternative energy, rocketry, fuel cells, geology, nutrition, and
the chemical senses. This lecture will describe the program's successes and challenges
along with useful guidelines for maximizing student participation, performance, and
results.
CHED 5
Baking powder and baking soda: An introduction to food science
Sally B Mitchell, sbmitchell2@gmail.com.Department of Chemistry, East Syracuse
Minoa Central High School, East Syracuse, NY 13057, United States

This activity will introduce the science teacher to the area of food science using fun
activities with baking powder and baking soda. Lab activities and teaching notes will be
provided.
CHED 6
Molecular spectroscopy in the high school chemistry curriculum
Dick McGraw, dick.mcgraw@thermo.com.Department of Molecular Spectroscopy,
Thermo Scientific, San Jose, CA 95134, United States
Thermo Scientfic, sponsor of the ACS Conant Award for outstanding high school
chemistry teacher, presents an innovative program for high school and
college/university science teachers and chemistry instructors. Both FTIR spectrometers
and UV-Vis spectrophotometer system (including teaching materials, lab experiments
and all related materials) are made availabe free of charge for use in the teaching
laboratory.
CHED 7
Energy and food: Ready-to-use resources from the Journal of Chemical
Education
Laura E Slocum1, lslocum@cathedral.org, Hillary Wilmoth2, H_Wilmoth@acs.org. (1)
National Cathedral School, Washington, DC 20016, United States (2) ACS
Publications, Washington, DC 20036, United States
This presentation will focus on the chemistry of food and how we get our energy from
food. More importantly for teachers, it will show you how it can be integrated into the
curriculum using already available teaching materials, including hands-on activities that
use low-cost materials from grocery and hardware stores. Presenters will share several
ready-to-use resources from the Journal of Chemical Education (JCE) related to the
meeting's theme Chemistry of Energy and Food. These give educators an opportunity
to make stronger connections for their students between the chemical world and the
students' "real" world. As time permits, participants will try out a hands-on JCE
Classroom Activity related to the theme.
CHED 8
Developing a learning progression on benefits, costs, and risks in chemical
design
Steven Cullipher1, steven.cullipher@gmail.com, Hannah Sevian1, Vicente
Talanquer2. (1) Department of Chemistry, University of Massachusetts Boston, Boston,
MA 02125, United States (2) Department of Chemistry and Biochemistry, University of
Arizona, Tuscon, AZ 85721, United States

The ability to continue sustainable living on this planet depends on our ability to critically
analyze benefits, costs and risks (BCR) of the products that we generate and the
feedstocks that we use, as well as to appropriately reason about the outcomes of our
decisions. The ultimate intent of our research is to uncover intermediate understandings
through which learning can be deliberately directed. In this work, we present the early
stage development of a learning progression that describes the evolution of implicit
assumptions along core progress variables that account for relative degrees of
sophistication in reasoning as students advance in their education as chemists.
Qualitative analysis of pilot study data from surveys and interviews obtained from
undergraduate students at two universities in the United States has uncovered domaingeneral and chemistry-specific progress variables. The product of this work informs our
larger learning progression on chemical design.
CHED 9
Investigations of language comprehension on performance in general chemistry
Samuel Pazicni1, sam.pazicni@unh.edu, Daniel Pyburn1, Victor Benassi2, Elizabeth
Reilly2. (1) Department of Chemistry, University of New Hampshire, Durham, NH
03824, United States (2) Center for Excellence in Teaching and Learning, University of
New Hampshire, Durham, NH 03824, United States
While mathematical ability has long been implicated as crucial for learning chemistry,
language ability remains largely uninvestigated. This contribution explores correlations
between language comprehension and performance in general chemistry. Structure
Building, a model that describes how linguistic information is incorporated into one's
existing knowledge base, guides our work. We demonstrate that comprehension ability
correlates strongly with chemistry course performance. An examination of variables
predicted to interact by the Structure Building Framework suggests that high
comprehension ability may be sufficient to compensate for low prior knowledge.
Intriguingly, our results also suggest that instruments used to measure comprehension
ability and math ability are not wholly independent of one another. We also report the
design and analysis of a multiple-testing intervention strategy that differentially aids
those of low comprehension ability. The effect of question type (multiple choice versus
elaborative interrogation) on this multiple-quizzing strategy has also been investigated.
CHED 10
Interactive simulation use by small groups in a large lecture setting: Student use
and perceptions
Emily B. Moore1, emily.moore@colorado.edu, Timothy A. Herzog2, Katherine K.
Perkins1. (1) Department of Physics, University of Colorado Boulder, Boulder, CO
80305, United States (2) Department of Chemistry, Weber State University, Ogden, UT
84408, United States

Interactive simulations are emerging as powerful educational tools that support student
learning through scientist-like exploration and experimentation. The PhET Interactive
Simulations project has developed over 30 simulations for teaching and learning
chemistry. In this study, we investigate what students do when using a PhET simulation
with no explicit use instructions in a large lecture environment. From analysis of mouse
click data, audio recordings, and clicker question responses, we found that, during 10minutes of exploration with a PhET simulation, students: interacted with the majority of
features available; had content-focused discussions with intermittent off-topic
conversations; and found use of the simulation easy and productive for learning.
Results suggest possibilities for increasing the amount of effective group work in large
classes using interactive simulations with minimal instructions.
CHED 11
Using the picoSpin NMR for undergraduate work
Sarah M Dimick Gray, Sarah.DimickGray@metrostate.edu.Department of Natural
Sciences, Metropolitan State University, St. Paul, MN 55106, United States
The new picoSpin NMR allows for hands-on experimentation by undergraduate
students in departments unable to afford a traditional NMR. We have been working with
the picoSpin NMR for the past 18 months and present some of the experiments
successfully performed in both research and classroom settings as well as some of the
challenges and limitations with the instrument.
CHED 12
Using a PicoSpin NMR spectrometer in the sophomore organic lab
Brett Mayer, John Balyeat, Allen M. Schoffstall, amschoff@uccs.edu.Department of
Chemistry and Biochemistry, University of Colorado Colorado Springs, Colorado
Springs, Colorado 80918, United States
Rationale for using a PicoSpin NMR spectrometer in the sophomore organic lab is twofold; rapid analysis and ease of interpretation. A quick generation of NMR data for a
synthetic process is desired so that every student can assess whether he or she made
the desired product and in what purity. The presence of remaining starting materials or
side products can also be determined so that each student can evaluate the relative
success of the synthetic experiment. Also, the spectra should be interpretable for
students who are just learning the basics of NMR spectroscopy in terms of the number
of signals observed, the chemical shifts, the coupling patterns and the coupling
constants. A brief description of the spectrometer and its use will be discussed. Student
data will be presented for organic synthesis experiments leading to liquid products,
which are most easily accommodated using the instrumentation.
CHED 13

A little introduction to NMR with a little NMR


Laura J Anna, laura.anna@montgomerycollege.edu.Department of Chemistry,
Montgomery College, Rockville, MD 20850, United States
With the acquisition of a 45MHz Picospin NMR spectrometer, students in the organic
chemistry laboratory can acquire NMR spectra of liquid compounds quickly and easily
with no sample preparation. The Picospin NMR spectrometer was used to teach the
introductory concepts of NMR interpretation including number of signals, chemical shift,
integration and multiplicity and real-time analysis of reaction products. The spectrometer
was also used to quickly analyze student samples to confirm product formation in
synthesis reactions. This presentation will highlight the introduction and ongoing efforts
to further integrate the Picospin NMR into the introductory organic chemistry laboratory
curriculum.
CHED 14
Incorporation of NMR spectroscopy into organic chemistry laboratory at Butler
University
LuAnne McNulty, lmcnulty@butler.edu, Anne Wilson, John Esteb, Paul Morgan, Stacy
O'Reilly, Adam Azman.Department of Chemistry, Butler University, Indianapolis, IN
46201, United States
Butler University has a minimum of 240 students taking organic chemistry each
semester. The introduction of NMR spectroscopy into the laboratory during the second
semester is difficult without the ability to run all samples during established laboratory
periods. As a result, students are provided with FIDs of necessary compounds. For
example, during the unknown laboratory, each student is given both proton and carbon
data for a solid and a liquid unknown. They use freeware to transform the data. As the
second semester laboratory progresses, students are given FIDs for all compounds
possible from a given laboratory, they do the data analysis for structure determination
and correlate that information to data obtained from a real GC-MS sample.
CHED 15
NMR as an effective and convenient tool for teaching reaction kinetics in
undergraduate organic laboratory courses
John A Cramer, jcramer@setonhill.edu.Department of Chemistry, Seton Hill University,
Greensburg, Pennsylvania 15601, United States
Although a wide range of fruitful applications of NMR spectroscopy has been achieved
in a wide range of scientific disciplines, the use of NMR as a pedagogic tool for teaching
chemical principles to undergraduate students remains relatively unexplored. NMR
spectroscopy is in fact a versatile and robust teaching tool for connecting and engaging

students with the molecular world and its operative principles. This presentation will
describe experiments where 60 MHz proton NMR spectroscopy is used to introduce
students to reaction kinetics. Many of these experiments involve performing reactions in
NMR tubes. These microscale experiments represent a safe, efficient, inexpensive, and
effective means for teaching students the principles of chemical reactivity. Monitoring
the progress of reactions performed in NMR tubes can be straightforwardly
accomplished by measuring the areas of resolved resonances of either reactants or
products with respect to time. Examples of kinetic experiments to be presented include
Diels-Alder reactions and nucleophilic substitution reactions of alkyl halides.
CHED 16
Proton coupled 13C nmr is useful for assigning chemical shifts in substituted
benzenes
Donald D Clarke, clarke@fordham.edu.Department of Chemistry, Fordham University,
New York, NY 10458, United States
1

H decoupled 13C nmr is standard & JCH data lost. 2D [1H13C] correlation recovers some
data. It fails when 1H 's are close e.g. alkylbenzenes. Contradictory 's for C-2 of
toluene are reported. 1H coupled 13C spectra [1DC] gave a firm answer [o>m>p].
Benzonitrile has two C's with no H. 1DC distinguishes these. 3-nitrobenzonitrile has
conflicting 's in databases. 1DC settles 's and SDBS has corrected their assignments.
Basis is that on a benzene ring 1JCH [~160 Hz]>>3JCH [~10 Hz] > 2JCH [~3 Hz] > 4JCH [~1
Hz]. Latter two are not resolved. Supported in part by an NSF grant for a 300 MHz
spectrometer and by a Faculty Research grant from Fordham University.
CHED 17
Encouraging self-discovery through in-class demonstration laboratories
Jason C Dunham, Jason W Ribblett, jwribblett@bsu.edu.Department of Chemistry,
Ball State University, Muncie, IN 47306, United States
Limitations in resources have prevented our department from offering a traditional
laboratory for the non-majors introductory chemistry course. Instead, the authors have
developed in-class demonstrations which provide students an opportunity to record
observations and data, analyze and graph data, and formulate conclusions as a
substitute for the traditional laboratory. Developed experiments cover introductory
chemistry topics such as physical and chemical properties, strength of intermolecular
forces and phase changes, writing balanced chemical equations, properties of ionic and
molecular compounds, and water solubility of alcohols. A typical experiment requires
that students record observations and data while the instructor performs the
demonstration during the lecture. Once all data and observations have been recorded,
students are required to analyze and/or graph their data to formulate conclusions. Each
student is then required to turn in a completed lab write-up which includes all recorded

data and observations, data analysis and conclusions, and answers to post-lab
questions.
CHED 18
Integration of computational chemistry into a non-majors, general education
chemistry course
Kelly R. Gallagher, kelly.gallagher@oneonta.edu, Alyson Marmet.Department of
Chemistry and Biochemistry, SUNY College at Oneonta, Oneonta, New York 13820,
United States
Although commonly employed in courses for science majors, computational chemistry
has largely been avoided in non-majors chemistry curricula. In an effort to help students
better visualize how molecular phenomena lead to macroscopic properties, we
introduced computational techniques in our non-majors course. This approach taps into
modern students' familiarity with digital technology and provides another avenue for
discussing applications relevant to their lives. Computer models were often used in
lecture and several laboratory exercises were implemented. First, basic modeling and
visualization techniques were introduced via a computational activity that related
molecular structure and vibrations to the greenhouse effect. A subsequent coordinated
experimental and computational exercise examined solubility and hydrogen bonding in
the context of melamine-based food contamination. These activities gave students an
elementary experience of computational chemistry, provided an enhanced
understanding of the role computational models play in modern science, and facilitated
the formation of connections between personal experience and the theories discussed
in class.
CHED 19
Materials science experiments for nonmajors
Jennifer E Mihalick, mihalick@uwosh.edu.Department of Chemistry, University of
Wisconsin Oshkosh, Oshkosh, Wisconsin 54901, United States
"Introduction to the Chemistry of Materials" is a non-majors class that teaches the
chemistry behind materials that society depends on: metals, polymers, ceramics and
semiconductors. The topics are of great relevance to students majoring in the
humanities, since human civilizations have always depended on the available materials
- stone, bronze, iron or silicon. The economic impact of materials processing and trade
is of interest to business and economics majors.
The laboratory experiments for this course introduce a variety of techniques used to
synthesize, process, and analyze different types of materials. Experiments will be
described in which students make polyester, paint, glass, and concrete; process metals
and fibers; and analyze fibers, dyes and glazes.

CHED 20
Experiential chemistry: A unique laboratory course for non-majors
Marc L Richard, marc.richard@stockton.edu, Jonathan Griffiths.Chemistry Program,
Richard Stockton College of New Jersey, Galloway, NJ 08205, United States
The presentation of chemistry by an experiential approach can be particularly exciting
for non-science majors. To a large extent, the teaching of science concentrates on the
early mastery of factual material before the students are allowed to explore the
interesting problems. The approach used in this course reverses this traditional pattern.
Students are first presented with a series of exciting experiments and are allowed to
experience the excitement of chemistry. Once their curiosity has been aroused and ask,
Why?, they are ready to begin to work with the underlying chemical principles.
Students in Experiential Chemistry work in the laboratory each day to develop an
understanding of: the process of doing chemistry, the nature of chemists and chemistry,
and the question asking, experimentation and communication skills essential for the
practice of chemistry. The experiences, class discussions, and writing assignments give
non-science students a unique and exciting introduction to chemistry.
CHED 21
Uptake and impacts of silver nanoparticles on Brassica rapa: A non-majors
laboratory experience
Kevin M. Metz, kmetz@albion.edu, Stephanie E. Sanders, Anna K. Miller.Department
of Chemistry, Albion College, Albion, MI 49224, United States
Nanoscience is one of the fast growing fields in science and engineering. Laboratory
experiments and entire courses for science majors have been developed at the
undergraduate level to study nanoscience. However, little curricular material has been
deveoped for the non-majors. Here we present a semester-long laboratory sequence
developed for a non-majors course, where students investigate the potential
environmental impacts of nanoscience. Students synthesize and characterize silver
nanoparticles using green synthetic methods. They then use the suspension of silver
nanoparticles to water Wisconsin Fast Plants, Brassica rapa, over a three to four week
period to simulate environmental exposure. Possible impacts are examined throughout
the growth period, and silver uptake by the plants is quantified at the end of the growth
period. This lab requires design input from the student, making it an open ended
experiment. Students participating in this class reported a renewed interest in, and
greter understanding of, science.
CHED 22
Laboratory experiments for consumer chemistry

David A. Katz, dkatz@pima.edu.Department of Chemistry, Pima Community College,


Tucson, AZ 85709, United States
An integrated lecture-laboratory consumer chemistry course has been taught by this
author since 2004. The course, which is Internet based, uses a series of experiments
dealing with common materials that have been developed or modified from other
sources in the areas of soaps and detergents, food chemistry, water chemistry,
cosmetics and personal care items, over-the-counter drugs, polymers, metals,
nanotechnology, dyes, papermaking, and artist materials. Although these were aimed at
the non-major students, some of the experiments are now being incorporated into the
general chemistry course.
CHED 23
First-year writing seminar on science in art and archaeology
Christopher J Stromberg, stromberg@hood.edu.Department of Chemistry and
Physics, Hood College, Frederick, MD 21701, United States
This talk describes a first-year seminar on Science in Art and Archaeology. The goals of
the first-year seminars at Hood College are to increase writing skills and information
literacy in our first-year students and to help them with the adjustment to college-level
work expectations. Each week, we cover a scientific technique used in art and
archaeology. On Mondays we cover the technique itself, including the basic chemical
principles underlying it. These periods often include demonstrations, including a series
of studies on home-made paintings using multi-spectral imaging and IR and Raman
spectroscopy. On Wednesdays we discuss a paper that used the week's techniques to
solve real problems in art and archaeology. Multiple writing assignments are given
throughout the semester including weekly literature reviews and homework sets, two
three-page papers, and one 8-10 page research paper. Through this course, students
are exposed to interesting applications of science and reading the scientific literature.
CHED 24
Catching criminals with chemistry: A non-majors course in forensics
William S. Case, wcase@richmond.edu.Department of Chemistry, University of
Richmond, Richmond, VA 23173, United States
Forensics has awakened a heightened interest in science among society at large. At the
university level, forensics provides a wonderful way to engage non-majors in a scientific
setting. At the University of Richmond we have created a non-majors chemistry course
entitled "Catching Criminals with Chemistry." The course teaches students how
chemistry can be applied to solving crimes. The nature of physical evidence is
discussed, along with the chemical techniques used to gather and analyze that
evidence. The course also introduces students to the legal aspects surrounding the

introduction of evidence in court, thus providing an interdisciplinary focus for those


interested in science and law. By combining case studies with applicable technology in
the laboratory, students gain a heightened understanding of the important roles that
chemistry plays in forensics. More importantly, non-majors leave the course with a
solid understanding of a vast array of chemical instrumentation.
CHED 25
Using milk and cheese to demonstrate food chemistry
Michael H. Tunick, michael.tunick@ars.usda.gov.Dairy & Functional Foods Research
Unit, U.S. Department of Agriculture, ARS, ERRC, Wyndmoor, PA 19038, United States
Students usually do not realize how much chemistry is involved in making a food like
cheese, and teachers may use milk and cheese to reveal some interesting principles.
Cheese is made by lowering the pH of milk, coagulating the protein with enzymes, and
removing the whey with heat and pressure. The huge array of cheese in the world
results from variations in the procedures, leading to different chemical reactions in the
curd during processing and storage. Chemical principles are demonstrated with some
simple experiments, such as acidifying milk to precipitate casein (demonstrating the
isoelectric point) and heating different varieties to compare how far they stretch and the
amount of oil coming off (illustrating the importance of the physical state of the protein
matrix). Related experiments include adding drops of milk to a glass of water to illustrate
light scattering. Experimentation with common foods such as milk and cheese ought to
elevate a classroom's interest in chemistry.
CHED 26
Reaching the non-traditional student population via math primers in a freshman
chemistry lab course
Meagan K. Mann, mannm@apsu.edu, C. Drew Carrico.Department of Chemistry,
Austin Peay State University, Clarksville, Tennessee 37044, United States
At schools with a high non-traditional student population, the basic arithmetic involved in
freshman chemistry is often a major source of frustration and confusion as students try
to recall information from math courses they took five or more years before. This often
leads to students doing poorly in the course as they try to learn chemistry calculations
while not fully understanding the arithmetic involved. Presented here is a lab redesign
for a non-majors chemistry course that incorporates math primers with the pre-lab
materials to help students get a step-by-step guide on how to answer problems that are
present in both lecture and lab. A comparison and assessment of these new labs as
compared to the previously used, traditional format labs is included.
CHED 27

Tandem cross-coupling/electrocyclization cascades: A modular strategy


Katerina P. Hilleke, katerina_hilleke@hmc.edu, David A. Vosburg.Department of
Chemistry, Harvey Mudd College, Claremont, CA 91711, United States
This talk will describe a unified synthetic strategy for the synthesis of beilschmiedic acid
C, endiandramide A, erythrophloin C, and related bioactive natural products. In each
case, acyclic building blocks have been joined in a Stille cross-coupling reaction that
triggered two electrocyclization reactions. The resulting bicyclo[4.2.0]octadiene products
can be further manipulated to generate both natural and unnatural products.
CHED 28
Synthesis of tripodal CMPO compounds for heavy metal chelation
Michael T Peruzzi1, peruzzim@mail.gvsu.edu, Eric J Werner2, Shannon M Biros1. (1)
Department of Chemistry, Grand Valley State University, Allendale, MI 49401, United
States (2) Department of Chemistry, Biochemistry and Physics, The University of
Tampa, Tampa, FL 33606, United States
Heavy metal chelation has a wide variety of applications including nuclear waste
remediation, MRI contrast agents, and chelation therapy. The TRUEX nuclear waste
remediation process currently employs carbamoylmethyl phosphine oxides (CMPOs) as
bidentate chelation agents to remove heavy, f-series metals from spent nuclear fuel.
However, single CMPO units are promiscuous in their selectivity and many metals
require a greater denticity than provided by three solitary CMPOs. Our lab is currently
interested in organizing CMPO units on a tripodal cap to take advantage of the chelate
effect. We are also interested in derivatizing these ligands to increase the affinity and
selectivity of metal binding. Current efforts toward the synthesis of these compounds will
be discussed.
CHED 29
Towards a rational design of a better tetracycline: Understanding zinc binding
interactions in tetracycline
Evan L Flores, eflore7@pride.hofstra.edu, Sabrina G Sobel, Tim Leimbach.Department
of Chemistry, Hofstra University, Hempstead, New York 11549, United States
Matrix metalloproteinases (MMPs) are known to cause acne and periodontal disease
and have been implicated in cancer through remodeling of the surrounding tissues to
enable tumor growth. MMPs have an essential zinc(II) ion as part of the active site.
Tetracycline and analogues are known to be effective treatments for acne and
periodontal disease. One hypothesis involves the complexation of Zn(II) ions, thus
reducing the availability of free Zn(II) in the extracellular environment for use by MMPs;

tetracycline does not competitively inhibit MMPs with zinc already bound. The binding
mode of tetracycline with metal ions has only been speculated.
This exploratory work aims to test tetracycline and its coordination with Zn(II) ions.
Titration methods show the stoichiometry of tetracycline to zinc in a biologically relevant,
pH-controlled environment. Molecular modeling provides insight into tetracycline's
coordination to Zn(II). By understanding tetracycline's binding mode, we can further the
efficacy of this class of molecules.
CHED 30
Synthesis and biological testing of biotinylated dione-coupled platinum
complexes
Katie J. Bitting1, bitting13@sbc.edu, Abraham L. Yousef1, Robin L. Davies2, Robert
Granger1. (1) Department of Chemistry, Sweet Briar College, Sweet Briar, VA 24595,
United States (2) Department of Biology, Sweet Briar College, Sweet Briar, VA 24595,
United States
Many cancer cells over-express receptors for certain vitamins such as folic acid and
biotin, therefore attaching one of these vitamins to a cytotoxic compound (e.g. cisplatin)
is a potential method for designing useful chemotherapeutic agents with increased
selectivity and cellular uptake. The research presented herein will detail our work
towards the synthesis of biotinylated imidazophenanthroline and dipyridophenazinebased platinum complexes. Synthetic strategies for the coupling of 1,10-phenanthroline5,6-dione to 4-acetylaminobenzaldehyde and 1,2,4-triaminobenzene compounds will be
discussed along with an EDC-mediated biotin coupling scheme. The bioactivities of the
compounds against HCT-15 cancer cells will be explored and the results presented and
discussed.
CHED 31
Four-step, stereoselective synthesis of artemone
Brian C. Fielder, brian_fielder@hmc.edu, David A. Vosburg.Department of Chemistry,
Harvey Mudd College, Claremont, CA 91711, United States
Artemone is an antifungal natural product from the Indian sage Artemisia pallens. We
have developed a direct, four-step synthetic route from (-)-linalool that features a
stereoselective cyclization with an organocatalyst. This synthesis uses no protecting
groups, minimizes redox manipulations, and seeks to maximize atom economy.
CHED 32
Progress towards the synthesis of the repeating pentasaccharide unit of
pneumococcal serotype 31

Nicole L Snyder1, Makenzie K Treible1, matreible@davidson.edu, Connor W Brown2,


Alexander D Thompson2, Megan A Schlosser2. (1) Department of Chemistry, Davidson
College, Davidson, NC 28035, United States (2) Unaffiliated, United States
Streptococcus pneumonia-based invasive pneumococcal disease (IPD) is one of the
leading causes of illness in adults and children worldwide. Streptococcus pneumoniae
are identified by capsular polysaccharide cell surface markers (serotypes) that are
distinguished by their chemical structure and antigenicity. Today, over 90 different
serotypes are known to exist. Advances in science and technology over the past 70
years have led to the development several vaccines based on capsular polysaccharide
isolates. Combined, these vaccines account for 23 of the over 90 known serotypes. As
part of our ongoing efforts to augment existing vaccines, our group has been focusing
on synthesis of the repeating pentasaccharide unit of pneumococcal serotype 31 or
PS31. Herein we report on our ongoing efforts to overcome several of the synthetic
challenges en route to PS31, including the incorporation of galactofuranose residues
substituted at the C3 position and two -rhamnosidic linkages.
CHED 33
Synthesis of a phosphorylated, lipid-linked inositol glycan as a potential anticancer agent
Vanessa Ruiz, ruizvanessa136@yahoo.com, Marc d'Alarcao.Department of Chemistry,
San Jose State University, San Jose, CA 95192, United States
Inositol glycans (IGs) are naturally occurring, phosphorylated, inositol-containing
carbohydrates that are released by insulin-sensitive cells in response to insulin. IGs can
activate pyruvate dehydroganase phosphatase, thus stimulating aerobic metabolism.
Cancer cells are known to switch from aerobic metabolism to anaerobic metabolism
even in the presence of oxygen, a phenomenon known as the Warburg effect. This is
thought to enable cancer cells to evade intrinsic apoptosis. Our goal is determine if a
synthetic IG competent to stimulate aerobic metabolism in cancer cells, thus reversing
the Warburg Effect, can cause the cells to undergo apoptosis. Our target compound is a
pseudodisaccharide comprised of 2-glucosaminyl-alpha1,6-myo-inositol containing a
16-carbon lipid chain and a phosphate group. Progress toward the chemical synthesis
and biological evaluation of this IG as an anticancer agent will be described.
CHED 34
Phospholipid remodeling as a pharmaceutical target against Candida albicans
Mariam Ayyash, ayyash@umd.umich.edu, Amal Algahmi, Peter Oelkers.Department of
Natural Sciences, University of Michigan-Dearborn, Dearborn, Michigan 48128, United
States

Candida albicans is a common, commensal yeast. Over-proliferation, however, can lead


to dangerous infections especially in immunocompromised people. Treatments often
involve pharmaceuticals that compromise the integrity of the yeast's plasma membrane.
We hypothesize that inhibiting phospholipid remodeling in C. albicans will augment the
effect of these drugs. Phospholipid remodeling involves the removal of acyl chains and
replacement with different acyl species. Initially, we targeted a C. albicans gene
homolog to Saccharomyces cerevisiae gene, LPT1, which encodes for a
Lysophospholipid acyltransferase. To characterize this homolog (designated 1881), we
expressed 1881 in S. Cerevisiae, and performed in-vitro assays to determine the gene's
substrate specificity. Our results show that substrate utilization is significantly higher for
unsaturated acyl-CoA species than saturated species. We also created homozygous
1881 deletion strains of C. albicans, which are used to perform virulence assays,
LysoPL substrate specificity assays and mass spectrometry assays for measuring the
rate of phospholipid remodeling.
CHED 35
Why sustainability matters: Creating videos in a water chemistry unit
Joseph R Vincente, joev@eschs.org, Andrea Swenson,
andreas@eschs.org.Department of Science, East Side Community High School, New
York, NY 10009, United States
It is our responsibility as educators to help students see their place in the world as
active citizens and to expect them to use their scientific knowledge to advocate for
sustainable practices. This presentation will focus on a project created by the 10th grade
chemistry teacher and school librarian in a public high school in Manhattan in which
students created 3-minute Public Service Announcement videos on a water
sustainability issue of their choice. Without extensive class time given to video
production, students were able to synthesize their understanding of chemistry principles
and sustainability and apply their understanding to a social issue. This presentation will
describe the process of taking a traditional unit focused on water chemistry and
transforming it to culminate in this high-interest, high-quality assessment. Attendees will
receive access to easily adapted materials for a variety of educational settings,
including an assessment rubric and online examples.
CHED 36
Infusing sustainability into science lessons: Challenges and growth
Resa M Kelly, resa.kelly@sjsu.edu, Cristina Chang, cristina_chang@yahoo.com,
Ellen Metzger, Ferdinand Rivera.Chemistry, San Jose State University, San Jose, CA
95192-0101, United States
The overall goal of this Google funded project was to present pre-service teachers (10)
enrolled in math and science methods courses with an orientation to climate

change/sustainability issues to inspire them to consider relevant ways that they could
incorporate sustainability threads in their lessons. The pre-service science teachers
were assigned to infuse sustainability into at least one lesson as part of their unit plan,
the culminating project of the course. Upon completion, the students presented their
sustainability lesson efforts to in-service teachers in the Bay area, SJSU education
faculty and graduate students to promote discussion and revision. Examination of their
projects revealed weak applications of sustainability and lead to further study to
examine in-service teachers' understanding of three components of sustainability as the
components were modeled in short You-Tube videos. Results from this study will be
shared.
CHED 37
Incorporation of sustainability into chemistry education in Russia
Natalia Pavlovna Tarasova, tarasnp@muctr.ru.UNESCO Chair [quot]Green Chemistry
for Sustainable Development[quot], D.Mendeleev University of Chemical Technology of
Russia, Moscow, Russian Federation
The first tertiary education organization (Institute of Chemistry and Problems of
Sustainable Development) that promotes ideas of sustainable development in Russia is
based in the prestigous Mendeleev University of Chemical Technology of Russia and
admits students pursuing undergraduate and graduate degrees in areas such as
Chemistry, Sociology, Ecology and Environmental Science, and Teaching Chemistry.
The goal of the Institute is to promote ideas of interdisciplinary education for sustainable
development and to incorporate fundamental science into higher education. Thankfully
to continuous efforts over last two decades the subject of Sustainable Development was
brought into curriculum of the Mendeleev University.
Several world famous scientists such as Professor Dennis Meadows, Dr. Alan Atkisson
and Dr. Bert de Vries visited the Mendeleev University with public lectures (often on
multiple occasions). These events encouraged many young students to think broadly
about the role of science and especially of Chemistry in the turbulent modern society.
CHED 38
Green Fuels Depot: Demonstrating sustainable energy conversion on a local level
Richard H Jarman, jarman@cod.edu.Department of Health and Sciences, College of
DuPage, Glen Ellyn, Illinois 60137, United States
The Green Fuels Depot (GFD) is a collaborative project involving the College of
DuPage, the City of Naperville, Argonne National Laboratory and Packer Engineering
designed to establish a sustainable energy source based on the gasification of
community-generated yard waste. Residential brush and leaf materials will be converted
into a flexible system of energy sources, including electricity, hydrogen and ethanol to

power municipal transportation. The GFD offers the prospect of a stand-alone


sustainable energy source for urban and agricultural communities as well as remote
locations that lack grid electricity. The role of the College of DuPage in this project is
threefold: to develop training and educational materials for future GFD operators;
mentor and train students in the operation of the equipment; perform basic research on
the gasification process. A broader objective of this project is to incorporate material into
chemistry curriculum to increase awareness of sustainability throughout the student
population.
CHED 39
Climate change: What is it? how will it affect us? can we reduce the impact by our
actions?
Andy Jorgensen, andy.jorgensen@utoledo.edu.Department of Chemistry, University of
Toledo, Toledo, OH 43606, United States
Even though climate change has been well characterized over recent years, the
physical facts and possible consequences of this phenomenon are not well-known by
the public in the United States. The opinions of many in our country have been
influenced by climate skeptics who, for various reasons, present an unscientific view of
climate change. As a result, there is a desire and interest in further education using
peer-reviewed information. A sabbatical leave at the National Council for Science and
the Environment during 2008-9 permitted the development of a presentation that has
been given more than 50 times in the subsequent three years. The talk utilizes personal
response devices to probe the knowledge and opinions of audience members, which
allows greater participation by attendees and increases the impact of the message.
CHED 40
Award Address (James Bryant Conant Award in High School Chemistry Teaching
sponsored by American Chemical Society). Learning the language of chemistry
Stephen Radice, sradice@ermurrowhs.org.Chemistry Teacher, James Bryant Conant
Award/Edward R. Murrow High School, Brooklyn, NY 11230, United States
The 2013 James Bryant Conant Award for High School Chemistry Teacher of the year
belongs to Stephen Radice.
Presently teaching at Edward R. Murrow High School in Brooklyn, NY, his teaching load
has included Chemistry Laboratory for the Hearing Impaired, Advanced Placement
Chemistry, Regents Chemistry, Topics in Chemistry, Active Physics, Various Special
Education Laboratories including Earth Science and Living Environment. Interestingly,
when Stephen is teaching alkanes, he asks students to count from 1-10 in different
languages. His point is that students must learn the Language of Chemistry. To
challenge and inspire his students, Stephen takes his students to hear lectures by

Nobel Laureates; students go to Polytechnic University to do laboratory experiments; or


a trip to the Museum of Natural History and the Rose Center for Earth and Space. One
of Stephen Radice's former students writes: He truly personifies both the science of
chemistry and the talent of a teacher.
CHED 41
Teaching chemistry through ice cream
Elizabeth K Mitchell, elizabeth.mitchell@perrysicecream.com.Department of Research
and Quality, Perry's Ice Cream, Akron, New York 14001, United States
Do you know how much science goes into making ice cream? From freezing point
depression to crystallization, there are many ways chemistry impacts making quality
frozen dessert products. Learn ways important chemistry concepts can be taught using
food science as a basis, because students already understand ice cream!
CHED 42
Electron Cloud Lab: Can the electron really be everywhere at once?
David J. Duncan, duncand_326@yahoo.com.DEPARTMENT OF CHEMISTRY,
GANADO UNIFIED SCHOOL DISTRICT, Ganado, AZ 86505, United States
It is difficult for beginning Chemistry students to understand the concept of an electron
"cloud", especially when introduced to how small an electron is relative to the size of the
atom. Navajo High school students use the scientific method to formulate a hypothesis
and test the hypothesis relative to an electron cloud around an atom. By the end of the
lesson, the students apply dimensional analysis to set up and solve problems. They use
significant figures, scientific notation, conversion factors and a relative size analogy for
an atom. They analyze the answers to the calculations to help understand the concepts
of radial measurements and that an electron travels in all three dimensions of the
electron cloud. The outcome of this exercise was a written lab report.
CHED 43
Green chemistry tools for the high school classroom
Amy Cannon, amy_cannon@beyondbenign.org, Kate Anderson,
kate_anderson@beyondbenign.org.Beyond Benign, Wilmington, MA 01887, United
States
Hear about how teachers from across the country are integrating green chemistry into
their classroom with lessons and labs that inspire students to connect chemistry
concepts to their world. Learn how both food and energy topics can connect to so many
chemistry and sustainability concepts.

CHED 44
Inquiry-based lab: Vitamin C clock reaction rate
Anthony McElligott, amcelligot@collegiateacademies.org.Science Academy, New
Orleans, LA 70127, United States
Have students discover the basic rules for reaction rates and find evidence to support
collision theory on their own. In this lab each group of students can design their own
experiment to investigate a different independent variable. The reaction has a clear start
and end point and also adds to student investment with the fun color changes that
occur.
CHED 45
Food for thought: Safer endothermic and exothermic reactions
Clare Davis Wheeler, cdaviswh@my.uno.edu.Ben Franklin High School, New Orleans,
LA 70127, United States
Bring your imagination to the lab bench as you explore new ways for students to learn
the same concepts you are already teaching. Explore a green chemistry experiment that
demonstrates endothermic and exothermic reactions using an enzyme common to
many living organisms and popular candy products.
CHED 46
Polymer food chemistry: Have fun with polymer chemistry by making Mountain
DewVair
Sherri Rukes, scrukes@comcast.com.Science, Liberyville High School, Libertyville, IL
60048, United States
Ever wonder how some chefs make those exciting little beads for their meals, drinks
and creative desserts? It is all about chemsitry. Learn how polymer chemistry and those
creative foods are related by learning concepts of various types of crosslinking and
other polymer chemistry properties. The session will focus on the making of Mountain
DewVair and see how a fun activity such as Gaviscon Snakes, Mountain Dewvair and
others connect food science to the basic chemistry classroom. Other topics of polymer
food chemistry will also be talked about as extensions. This will get the studetns excited
and see how cooking and baking are realated to the chemistry that they learn in the
classroom.
CHED 47
Green chemistry alternative energy example: Blackberry solar cell lab

Kate Anderson, kate_anderson@beyondbenign.org.Beyond Benign, Wilmington, MA


01887, United StatesBeyond Benign, Wilmington, MA 01887, United States
Learn how to construct a dye-sensitized solar cell using materials such as blackberries.
During the process students learn about how the materials, product and process meet
the cost, safety and performance criteria of green chemistry technology. After
construction is complete, performance is tested by measuring the voltage output of the
solar cells. Wrap up of the lesson concludes with a discussion about how the
technology differs from traditional photovoltaic solar cells and is continuing to emerge.
CHED 48
Impact of teaching metacognitive learning strategies on performance in general
chemistry courses
Elzbieta Cook1, folga@lsu.edu, Eugene Kennedy2, Saundra Y McGuire1. (1)
Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United
States (2) School of Education, Louisiana State University, Baton Rouge, Louisiana
70803, United States
This presentation discusses details of and outcomes from a 50-minute lecture focused
on learning and studying strategies presented to the general chemistry I class after
exam 1. For two consecutive years, average final course grades for the attendees of
such a lecture were a full letter grade higher than those for the non-attendees. The
results of the pre-intervention exam 1 were not significantly different for these two subgroups, suggesting an absence of significant differences in students' skill levels and
motivation prior to exam 1. Detailed course performance and demographic data were
collected and analyzed using analysis of covariance (ANCOVA) for the purpose of
determining whether participation in the learning strategies lecture had a significant
impact on student performance. Other variables considered were: math-ACT scores,
high school GPA, hours carried, enrollment year, transfer status, campus housing,
gender, ethnicity, and age. Implications for learning strategies instruction in general
chemistry are offered.
CHED 49
Implementing a problem-based learning unit on pesticide sensors in general
chemistry: Initial outcomes for students and teaching assistants
Megan L Grunert1,2, megan.grunert@wmich.edu, Kelley M Current1,2, Lloyd M
Mataka2. (1) Department of Chemistry, Western Michigan University, Kalamazoo, MI
49008, United States (2) Mallinson Institute for Science Education, Western Michigan
University, Kalamazoo, MI 49008, United States
At Western Michigan University, researchers have synthesized molecules capable of
detecting the presence of three common pesticides. Through a collaborative effort

between research groups, these molecules are being used in first-semester general
chemistry laboratory as the foundation for a problem-based learning unit. Students learn
about the process of scientific research by designing and carrying out their own
experiments using these molecules. Throughout this process, we have been evaluating
affective student outcomes through pre/post-surveys, open-response questionnaires,
and interviews. We have also been interested in the outcomes for teaching assistants,
as they are asked to take on the role of research advisor for this unit. Extensive data
collection has occurred with the teaching assistants, including classroom observations,
classroom audio recordings, recorded weekly meetings, and interviews, allowing us to
map changes in teaching practice and the development of an educator identity. Results
from the first three implementations will be presented.
CHED 50
Using a grounded approach to develop facet clusters for solutions chemistry
Lianne Schroeder1, lschro6@uic.edu, Donald J. Wink2, Stephanie A.C. Ryan1,
Matthew Lira1, Susan R. Goldman1, James W. Pellegrino1. (1) Learning Sciences
Research Institute, University of Illinois at Chicago, Chicago, IL 60607, United
States (2) Department of Chemistry, University of Illinois at Chicago, Chicago, IL
60608, United States
Based on a comprehensive review of the K-16 literature, we developed and
implemented an interview protocol to explore college chemistry students' understanding
of solution phenomena. We were specifically targeting the phenomena of identity (what
is in solution), concentration (how much is present, relative to the total amount), and
reaction (what happens when new substances are formed). Students were presented
with chemical phenomena that elicit qualitative understandings and are asked to
describe what they see. Data from these interviews were used to develop three sets of
Minstrell-style facet clusters related to solutions phenomena: identity, concentration,
and reaction. This approach to facet clusters is unique in that the development is driven
by and grounded in student data rather than an expert thought experiment. We will
present our method for developing the facets from interview data and an example of the
use of the facet clusters to describe a student's understanding.
CHED 51
Transforming the Survey of Chemistry class for nursing students using the
Learning Assistant (LA) model: Challenges and rewards
Konstantinos Kavallieratos, kavallie@fiu.edu, Joseph Lichter, Christina A Burns,
Lydia Fernandez, Michelle Luzi, Justin M Torner.Department of Chemistry and
Biochemistry, Florida International University, Miami, FL 33199-0001, United States
The learning assistant (LA) model of instruction has been rapidly expanding due to
significant improvement in measured learning objectives. As part of the HHMI-

sponsored effort to reform traditional lecture classes at FIU (Grant No: 52006924), we
initiated a transformation of the Survey of Chemistry class based on LA-directed
activities with the following components: 1) Problem solving, aiming at maximizing
group interactions and encouraging independent thought 2) Model building and
interpreting, linking written structures of molecules to ball-and-stick molecular models 3)
Real-life health application problems tailored to nursing students and 4) Problems that
seamlessly link the lecture with the lab. Particularly significant features of this
transformation are the active involvement of LAs in the problem design and maximized
direct LA-student interactions. We will present results on student impacts based on i)
direct comparison of exam performance before and after transformation for comparable
student groups, and ii) comparison of student outcomes, separated by degree of
participation in the LA-directed activities.
CHED 52
Practice-based instructional systems design model for undergraduate chemistry
laboratory experiment design
Tara Bunag, tbunag@email.phoenix.edu.College of Natural Sciences, Online,
University of Phoenix, Tempe, AZ 85040, United States
This presentation will report an iterative model of undergraduate chemistry laboratory
experiment design based on the current practice of undergraduate chemistry laboratory
design experts (1). The model was constructed using the Delphi method to gather
expert responses, then verified through interviews with additional experts. Experts
consistently described the model as accurate and useful.

1. Bunag, T. Construction of an Instructional Design Model for Undergraduate


Chemistry Laboratory Design: A Delphi Approach. Ph.D. Dissertation [Online],
Arizona State University, Tempe, AZ, 2012.
CHED 53
Structural database for instructors: A living, online NMR FID database
Kyle A Kalstabakken, Andrew M Harned, harned@umn.edu.Department of Chemistry,
University of Minnesota, Minneapolis, MN 55455, United States
Structure elucidation is a fundamental skill for the practicing synthetic chemist. As
students become more comfortable with this task, they will become more self sufficient
and better able to question the identity of what is in their flask. Because of the
importance of this skill, many universities and colleges have established courses on this

topic. We have developed a web-based resource to assist instructors of these "organic


spectroscopy" courses. This website is populated by NMR FID files that can be freely
downloaded by registered users. Current offerings include FID files for 1H and 13C NMR,
DEPT, 1H1H COSY, HMQC, HMBC, TOCSY, and 1D NOE experiments. External
users can also submit their own data for use by other instructors. By supplying users
with the FID files, it will be easier for them to emphasize certain areas of the spectrum
for use during in-class discussions, problem sets, and exams.
CHED 54
Microwave-assisted in-situ cracking of dicyclopentadiene and subsequent
reaction with maleic anhydride and the analysis of the Diels-Alder cycloaddition
product via 2D-NMR and molecular modeling: A laboratory exercise for an
advanced lab course or inter-course collaboration
John G. D'Angelo, dangelo@alfred.edu, Geoffrey M. Bowers.Division of Chemistry,
Alfred Unviersity, Alfred, NY 14802, United States
Herein, we describe the in-situ cracking of dicyclopentadiene with the subsequent
reaction of the resulting monomer with maleic anhydride in a Diels-Alder cycloaddition.
The Diels-Alder cycloaddition product was then hydrolyzed to the diacid product,
consistent with the traditional lab exercise in the undergraduate organic chemistry
sequence. The rigid structure of both the anhydride and hydrolyzed diacid make these
products ideal candidates for analysis by 2D-NMR and molecular modeling. Such an
analysis would be inappropriate for a large class but is ideal in a smaller, advanced lab
setting or as a special collaboration project between a small portion of a larger
undergraduate organic chemsitry lab and a physical chemistry lab. The findings and
complications encountered during our 2D-NMR and molecular modeling analyses will
be presented.
CHED 55
NMR spectroscopy and computational tools at SUNY Oneonta: 1D processing
with Delta, predictions with Gaussian, and interpretations with ChemDoodle
Jacqueline Bennett, Jacqueline.Bennett@oneonta.edu.Department of Chemistry &
Biochemistry, SUNY Oneonta, Oneonta, NY 13820, United States
Computational tools that assist with NMR interpretation and analysis have been
implemented into the organic chemistry sequence at SUNY Oneonta over the past
several years as part of an NSF-funded initiative. In the sophomore organic chemistry
course, NMR (1H, 13C, and DEPT) is introduced early in the first semester as part of a
multi-week project coupling unknown identification with a green synthesis. Students use
NMR, along with IR and physical data, to identify two unknowns that are later reacted
together to form imines via a green synthetic method. Every student receives a unique
combination of unknowns and, thus, synthesizes a unique imine. A library of imine

spectra resulting from this green synthesis project is in the process of being deposited
to the Royal Society of Chemistry's ChemSpider database. Students use Gaussian09
(accessed via WebMO) and ChemDoodle to predict spectra for their compounds and
then compare these with their experimental spectra to gain experience using different
computational levels and to see the value and danger of computational predictions.
Students learn to process raw data using JEOL's Delta software, which is used routinely
throughout the full year and later courses. In advanced organic chemistry, students use
Delta to calculate J values in proton and carbon NMR, including those from fluorine
splitting. Spectra with complex splitting are interpreted with the aid of ChemDoodle's
NMR SignalSeek and Multiplet Tool widgets. Undergraduate researchers use proton
NMR to analyze the kinetics of spontaneous sample degradation in chloroform-d, a
problem encountered in the course of the green synthesis project. This talk will provide
an overview to how computational tools assist in teaching NMR, the pros and cons of
the various computational packages used, and the potential pedagogical uses for the
NMR data deposited on ChemSpider.
CHED 56
Utilizing undergraduate research results in organic spectroscopy
J. Thomas Ippoliti, jtippoliti@stthomas.edu, Samuel J. Fish, Luke A. Kassekert,
Rebecca L. Kummer, Sarah N. Larson, Andrew K. Peterson, Nicholas A. Serratore,
Olga Y. Zamulko.Department of Chemistry, University of St. Thomas, St. Paul, MN
55105, United States
A variety of compounds that were synthesized as part of undergraduate research
projects have been used as examples to illustrate numerous concepts in an Organic
Spectroscopy course. The compounds discussed will illustrate: Karplus curve concepts
in cyclohexane rings, fluorine splitting, inverted triplets, anisotropy effects of sterically
crowded aromatic rings, how electron donation into aromatic rings can influence proton
chemical shifts, the effect of hindered rotation on chemical shift, how intramolecular
hydrogen bonding can affect conformational preferences, and vicinal C-H coupling to NH. An exceptionally interesting molecule showing long range coupling to an O-H as well
as demonstrating many other concepts will serve as a multi-faceted example of how
these compounds can be used as excellent teaching tools.
CHED 57
Thematic use of ribavirin as an example to illustrate NMR principles and
techniques
Brant L. Kedrowski, kedrowsk@uwosh.edu, William F. Wacholtz.Department of
Chemistry, University of Wisconsin Oshkosh, Oshkosh, WI 54901, United States
Ribavirin is a molecule used clinically to treat viral infections. It has a number of
structural features that make it an ideal example for illustrating a variety of NMR

principles and instrumental techniques. Ribavirin was used in a thematic fashion as a


recurring example throughout a semester-long interpretative spectroscopy course to
introduce concepts that started with the simple and progressed toward the complex.
Examples included: 1) molecular asymmetry and number of signals, 2) diastereotopic
methylene proton signals, 3) observing spin-spin splitting between hydroxyl protons and
neighboring protons, 4) proton-deuterium exchange experiments with hydroxyl group
protons, 5) 1D selective decoupling experiments to assign proton signals, 6) 1D-NOE
experiments, 7) temperature-dependent NMR experiments to study amide bond
rotation, 8) homonuclear 2-D correlation experiments including COSY and NOESY, 9)
heteronuclear 2-D correlation experiments including HETCOR, HMQC, or HSQC for
short range C-H correlations, and FLOCK or HMBC for long range C-H correlations.
CHED 58
Quantitative NMR spectroscopy in practical applications for student labs and
student research
Donald A Bouchard, donald.bouchard@aiinmr.com.Anasazi Instruments, Inc.,
Indianapolis, IN 46203, United States
Nuclear magnetic resonance (NMR) is an important diagnostic and research tool in
virtually every area of science today. The selectivity of magnetic resonance means
NMR is a tremendous tool for qualitative analysis in the determination of molecular
structure. A second important property is that NMR is a bulk phenomenon and can
measure many samples as is without sample preparation. Finally, the NMR response is
uniform per atom, without regard to its structural state and that external calibrations can
be very simple, which is particularly useful for a teaching laboratory or student research
project. Ignoring the fundamental qualitative aspects of NMR leads students to a myopic
view of the power of this technique. The results of projects in real world areas of nutrient
content in food, chemical components in crude and finished petroleum and chemical
equilibria to be presented can give students an enhanced view of this spectroscopic
technique.
CHED 59
NMR spectroscopy at the University of St. Thomas(TX): From general chemistry
to undergraduate research
Thomas B Malloy Jr1, malloyt@stthom.edu, Michelle A Steiger1, Lawrence B
Alemany2. (1) Department of Chemistry, University of St. Thomas, Houston, TX 77006,
United States (2) Department of Chemistry and Shared Equipment Authority, Rice
University, Houston, TX 77005, United States
An Anasazi Eft-60 60 MHz multinuclear FTNMR has allowed NMR experiments to be
incorporated throughout the undergraduate curriculum at the University of St. Thomas.
In addition to the use of NMR in the sophomore organic laboratory course, experiments

have been incorporated in inorganic, physical chemistry, biochemistry and instrumental


analysis courses. In addition, an effort has been made to involve selected freshmen in
NMR projects during their second semester. Undergraduate research has led to the
development and refinement of many of the experiments. Access to high field
superconducting magnet instruments at the Shared Equipment Authority at Rice
University at very reasonable rates has greatly enhanced opportunities for
undergraduate research in NMR at the University of St. Thomas.
This presentation will discuss the NMR for freshmen projects, the development of an
experiment illustrating the difference in time scales between NMR and Raman
spectroscopy, a 2D experiment on peptides, and how 60 MHz results led to ongoing
high field studies of unique complex effects in organofluorine compounds.
CHED 60
Writing more competitive grant proposals for NMR spectrometers
Thomas J Wenzel, twenzel@bates.edu.Chemistry, Bates College, Lewiston, Maine
04240, United States
It is possible to secure funding for NMR spectrometers through either research grants or
curriculum development grants. In particular, the National Science Foundation has two
important grant programs that provide support for NMR spectrometers. The Major
Research Instrumentation Program operates under the research directorates and is
focused on enabling research activities. The Transforming Undergraduate Education in
Science, Technology, Engineering and Mathematics Program operates under the
Division of Undergraduate Education and is focused on promoting curricular
development that enhances undergraduate student learning. Advice for writing
successful grant proposals to both of these programs is provided.
CHED 61
Chemistry and chemists within the Division of Undergraduate Education at the
NSF
Joseph J. Grabowski, jgrabows@nsf.gov, David R. Brown, Herbert Richtol.Division of
Undergraduate Education, National Science Foundation, United States
The Division of Undergraduate Education (DUE) at the National Science Foundation
(NSF) offers a number of programs that, in the aggregate, are a comprehensive
approach to strengthening STEM education at two- and four-year colleges and
universities. DUE programs support improving curricula, instruction, laboratories,
infrastructure, assessment, diversity of both students and faculty, and increasingly,
collaborations. Chemistry, often considered as the 'central science' in STEM, is a major
contributor to advancing DUE's four goals of providing leadership, supporting curriculum
development, preparing the workforce, and fostering connections. While DUE can

provide the funding, it is the broad Chemistry community that allows the goals to be
achieved. In addition to highlighting DUE's interests beyond the solicitations, the role
that chemists play in the support of DUE and NSF will be featured.
CHED 62
Using threshold concepts to drive curriculum reform in biochemistry
Vicky Minderhout1, vicky@seattleu.edu, Jennifer Loertscher1, Jennifer Lewis2, David
Green3. (1) Department of Chemistry, Seattle University, Seattle, WA 98122, United
States (2) Department of Chemistry, University of South Florida, Tampa, FL 33620,
United States (3) Center for Excellence in Teaching and Learning, Seattle University,
Seattle, WA 98122, United States
Threshold concepts are concepts that when mastered, represent a transformed
understanding of a discipline, without which the learner cannot progress. For example,
equilibrium has been identified as a threshold concept in biology and is likely to be
relevant for biochemistry. Preliminary data suggest that students bring incomplete
knowledge of equilibrium into biochemistry courses and that biochemistry courses do
not alter their understanding significantly. By focusing on threshold concepts, instructors
can maximize the impact of instruction. We are beginning work with a community of
biochemists, biologists and chemists, to 1) identify threshold concepts for biochemistry,
2) design classroom activities targeting these concepts, 3) disseminate classroom
activities and assessment tools, 4) measure changes in student understanding. Our
prior work linking assessment of student understanding of protein structure to curricular
reform provides a model of a process that uses assessment and community input in a
feedback loop to improve student learning.
CHED 63
Development of e-learning modules for analytical chemistry
Thomas J Wenzel, twenzel@bates.edu.Chemistry, Bates College, Lewiston, Maine
04240, United States
Faculty members from over 20 institutions are collaborating on an NSF-funded project
to develop active learning materials for use in the undergraduate analytical chemistry
curriculum. Materials are being designed for use in a variety of formats (e.g., classroom
activity, homework assignment, laboratory project) and in a form that can be modified to
suit the particular needs of an instructor or institution. Each module consists of a series
of inquiry-based activities or problem-based exercises. Learning objectives, appropriate
textual material and an instructor's manual that support the activity or exercise are
provided as well. Materials developed in this project will be disseminated through the
NSF-funded Analytical Sciences Digital Library (ASDL), http://www.asdlib.org. When
finished, the classroom activities and laboratory experiences will span the range of
topics normally incorporated into the undergraduate analytical chemistry curriculum.

Work completed to date, ongoing activities, and future plans for topic development will
be described.
CHED 64
IONiC: Transforming education through collaborative development of materials at
the frontiers of inorganic chemistry
Sheila R. Smith1, sheilars@umd.umich.edu, Sibrina Collins2, scollins@wooster.edu,
Joanne L. Stewart3, stewart@hope.edu. (1) Department of Natural Sciences,
University of Michigan- Dearborn, Dearborn, MI 48128, United States (2) Department of
Chemistry, College of Wooster, Wooster, OH 44691, United States (3) Department of
Chemistry, Hope College, Holland, MI 49422, United States
The Interactive Online Network of Inorganic Chemists (IONiC) was formed to share
content and best practices for teaching and learning in inorganic chemistry. Over the
past five years, we have built a website and social networking hub, VIPEr
(www.ionicviper.org), a home to more than 500 registered faculty users who share
teaching resources, advice, and evidence of student learning. An important lesson that
we have learned is that in order to get highly engaged participation on the VIPEr site,
we need face-to-face contact to invest people in the community. Over the past three
years, we have hosted workshops for faculty on content creation and effective use of
VIPEr. In this project, we build on our tested workshop strategy and enhance it with a
theme we call Back to Grad School (B2GS). Specifically, we will host four summer
B2GS workshops that will: 1) Introduce faculty to cutting-edge topics in several subfields
of inorganic chemistry; 2) develop at least 80 high quality teaching resources in
conjunction with research experts; and 3) disseminate these materials to the global
inorganic teaching community through VIPEr.
CHED 65
Embedding undergraduate research throughout our campuses and curricula
Mitchell Malachowski1, malachow@sandiego.edu, Kerry Karukstis2,
kerry_karukstis@hmc.edu, Jeffrey Osborn3, Elizabeth Ambos4. (1) Department of
Chemistry, University of San Diego, San Diego, CA 92110, United States (2)
Department of Chemistry, Harvey Mudd College, Claremont, CA 91711, United
States (3) Department of Biology, The College of New Jersey, Ewing, NJ 08628, United
States (4) Council on Undergraduate Research, Washington, DC 20005, United States
This presentation will describe our NSF funded project that focuses on working with
state systems and consortia interested in embedding higher levels of undergraduate
research across their campuses. We have offered three-day workshops to seven
systems/consortia including 90 institutions and over 350 participants. Teams from each
institution spend the weekend generating a series of goals for undergraduate research
that they bring back to their campuses for vetting. Institutional goals frequently include

issues related to faculty workload, resource allocation, facilities, curriculum, student


engagement, mentoring, promotion and tenure expectations, summer activities, and
grants writing, among others. In this presentation we will discuss the focus of the
workshops, the engagement of the faculty and administrators during the weekend, the
follow-up activities and the institutional and system/consortia changes that have
resulted from the workshops. Issues common to many institutions will be discussed and
suggestions made on how to adapt our findings to other institutions.
CHED 66
PhET Interactive Simulations: Using research-based simulations to transform
undergraduate chemistry education
Emily B. Moore1, emily.moore@colorado.edu, Julia M. Chamberlain1, Robert Parson2,
Katherine K. Perkins1. (1) Department of Physics, University of Colorado Boulder,
Boulder, CO 80305, United States (2) Department of Chemistry and Biochemistry,
University of Colorado Boulder, Boulder, CO 80305, United States
The PhET Interactive Simulations project (http://phet.colorado.edu) includes a growing
list of over 30 chemistry simulations (sims). Each sim is research-based and studenttested, resulting in sims that support student learning through inquiry including
scientist-like exploration and experimentation. Recent PhET research includes
investigations on: sim design how complexity affects student learning, and the unique
needs of chemistry sims; and sim use how activity design affects student sim use, and
how students use and perceive sims in large classes. With new NSF funding, the PhET
project will continue to develop sims and study design and use. We will also work with a
newly-established chemistry Faculty Working Group towards the development of
student and classroom-tested supporting materials (classroom, lab, and homework
activities, and clicker questions) and professional development materials.
CHED 67
Chemistry Collaborations, Workshops and Communities of Scholars (cCWCS):
Activities and impacts
David M Collard, david.collard@chemistry.gatech.edu.School of Chemistry &
Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United
States
Over the last decade, the Chemistry Collaborations, Workshops and Communities of
Scholars program (cCWCS, www.ccwcs.org) and its predecessor (the Center for
Workshops in the Chemical Sciences) have provided over 120 workshops for faculty.
The programs have a long history of equipping faculty to modify courses and curricula
through their participation in week-long, hands-on workshops on topics such as
chemistry in art, food chemistry, computational chemistry, forensic science, energy,
nanotechnology, and NMR. Web-based communities, conference symposia and small

grant programs provide continuing support and engagement of the participants. The
presentation will focus on the evaluation of the program's impact.
CHED 68
In situ generated palladium nanoparticle assemblies and its electro-catalytic
properties towards oxidation of polyalcohols
Caitlyn McCain, camccain@umd.umich.edu, Krisanu Bandyopadhyay.Department of
Natural Sciences, University of Michigan-Dearborn, Dearborn, MI 48128, United States
There is a considerable interest for investigating a general synthesis route to generate
aggregation-resistant metal nanoparticles for catalytic applications. The present
research deals with the formation of two-dimensional arrays of palladium nanoparticles
on functionalized surfaces. Silicon and indium tin oxide (ITO) coated glass are used as
preferred substrates and are functionalized with silane molecule like
trimethoxysilylpropylpolyethyleneimine. Due to electrostatic interactions between
specific functional groups present on the modified surface and metal ions present in
solution, adsorption of ions take place on the surface, followed by a reduction step to
ensure in situ generation of surface bound nanoparticles. Surface zeta potential
measurement is used to follow the change in surface-charge during different steps of
the synthetic process Atomic Force Microscopy (AFM) provides the structural
characterization of the nanoparticles. Finally, the electro-catalytic activity of these
nanoparticles assemblies are assessed for oxidation of polyalcohols like ethylene glycol
and glycerol.
CHED 69
Effect of monolayer template on generation of 2D assemblies of gold nanoparticle
Harkamal Jhajj, hjhajj@umd.umich.edu, Krisanu Bandyopadhyay.Department of
Natural Sciences, University of Michigan-Dearborn, Dearborn, MI 48128, United States
Gold nanoparticles have attracted much interest recently due to their unusual catalytic
properties. Our research uses organized assemblies on solid surfaces to generate gold
nanoparticles engineered for electro-catalytic application towards methanol electrooxidation, which is a key reaction for direct methanol fuel cells. In this present research,
two dimensional assemblies of gold nanoparticles are generated in situ on silicon and
indium tin oxide (ITO) coated glass surfaces functionalized with aminosaline monolayer
with different chain length and different number of nitrogen atoms present at the
molecular backbone. We have studied the effect of different aminosilane monolayer
template on size of generated gold nanoparticle and subsequent assessment as
catalyst towards methanol electro-oxidation. Atomic Force Microscopy (AFM), contact
angle and surface zeta potential measurements are used to monitor the structural
development of these nanoparticles. Further studies are conducted using Impedance

spectroscopy to better comprehend the size dependent electrochemical properties of


surface generated gold nanoparticles.
CHED 70
Metal oxide nanowire/carbon composites for hybrid supercapacitors
Ruperto G Mariano, rgm093020@utdallas.edu, Sanjaya D Perera, Mark Rudolph,
Kenneth J Balkus.Department of Chemistry and the Alan G. MacDiarmid NanoTech
Institute, The University of Texas at Dallas, Richardson, TX 75080, United States
Much attention has focused on metal oxide nanostructures for use as electrodes in
energy storage devices due to their high surface areas and high Li+ion diffusion rates.
Nanowire structures are attractive as they can form binder-free electrodes, increasing
capacitive performance by eliminating binder materials in electrodes.
Additionally, carbon materials can be used as electrodes in electric double layer
capacitors (EDLCs): the use of reduced graphene oxide (rGO) as an electrode material
is intriguing due to its high electron mobility and affordability compared to carbon
nanotubes (CNTs). The performance of EDLCs can be further enhanced through
combination with metal oxides that exhibit redox activity.
In this work, we present a hybrid supercapacitor using MnO2 nanowire/V2O5
nanowire/rGO/CNT electrodes. Characterization performed using SEM/TEM to confirm
nanowire morphology, XRD to confirm crystal phases, and Cyclic Voltammetry to
determine capacitance and power/energy densities will be presented.
CHED 71
Molecular structure and energy comparisons of graphene-oxide
Erich J Beregszaszy, eberegsz@umd.umich.edu, Daniel B Lawson.Natural Sciences,
University of Michigan-Deaborn, D, MI 48128, United States
Graphene oxide (GO) consists of 2 dimensional sheets constructed from planar and
hexagonal CC bonds with oxygen atoms populating the surface. GO is water soluble
and is often used to as the starter material for the purposes of depositing graphene onto
a variety of surfaces. With ever growing demands in the market-place for green
catalysts, the unique electrical and chemical properties of graphite, graphene and
graphene oxide offer chemical and electrical properties that suggest a variety of
applications in catalytic processes. Unfortunately, the exact chemical structure of GO
has yet to be elucidated. This work uses computational chemistry to estimates
energetically favorable structures from various models proposed in the literature. The
level of oxidation of GO is estimated by the enthalpy of absorption of O atoms to the
surface of graphene. We also look into favorability of various other functional groups in
GO including OH, -CO, and COOH. We compare available experimental data from

the literature with our computationally generated results to properly assess the
topography of GO.
CHED 72
Interesting luminescent properties of a Suzuki coupled fulgide switch
Kenneth Yamaguchi, Akim Abdullahi, aabdullahi@njcu.edu, Usman
Shahid.Department of Chemistry, New Jersey City University, Jersey City, New Jersey
07302, United States
The fulgides represent an important class of compounds that have been shown to
undergo light-induced ring-opening and -closing states with high photochemical
stabilities. We have been interested in the incorporation of this class of photochromic
compounds into n- and p-type materials with interesting photochemical properties. This
paper will discuss the bromination of 3-methylindole followed by a Stobbe condensation
reaction yielded 2-acetyl-3-methyl-6-bromoindole (1). The fulgide switch was
synthesized via coupling between the intermediate 1 and diethyl isopropylidene
succinate. Finally the fulgide moiety was coupled to 2-bromo-7,7-dioctylfluorene. The
synthesis and characterization of the product will be discussed as well as its
luminescent properties.
CHED 73
Versatile SERS substrates using period arrays of silver conical nano-frustums
Ryan K Petit, rpetit33@gmail.com, Jason M Montgomery.Department of Chemistry,
Florida Southern College, Lakeland, Florida 33801, United States
Systems involving arrays of periodic metallic nanostructures have been the focus of
much interest due to their ability to reliably enhance the intensity of an incident electric
field through surface plasmon excitations. These excitations occur at resonant
frequencies that are determined by a nanostructure's geometry (size, shape, and
environment) and can be therefore tuned to a desired frequency. Accordingly, periodic
arrays of metallic nanoparticles can be used for surface enhanced Raman spectroscopy
(SERS) applications, in which both the incident light and the Raman scattered light are
enhanced. Typically, one aims to tune a surface plasmon resonance midway between
the excitation wavelength and the emission wavelength of the analyte in order to
adequately enhance both wavelengths, giving rise to the well known g4 enhancement
factor. In this paper, we describe a novel structure, composed of a periodic array of
layered metallic nano-frustums (NFs) atop a this silver film, intended to support multiple
resonance frequencies that correspond to the excitation wavelength (ex), the emission
wavelength (em), and midway between the two (mid). Two and three dimensional
finite-difference time-domain (FDTD) calculations were utilized to analyze possible
structures and geometrical parameters and to ultimately optimize a NF structure
capable of exciting at both ex = 785nm, mid = 850nm , and em = 850nm was

designed. The structure exhibited maximum SERS enhancements on the order of 100x
higher than previously studied nano-post arrays.
CHED 74
Determination of the structures of imprinted polymers and xerogels: A random
docking approach
Amanda Wach, amandawa@buffalo.edu, Jiechen Chen, jiechenc@buffalo.edu, Eva
Zurek.Department of Chemistry, Stat University fo New York at Buffalo, Buffalo, NY
14261, United States
A method for the computational determination of the binding motifs in molecularly
imprintedpolymers and xerogels is proposed. A RandomDock extension to the open
source molecular editorAvogadro is employed in order to generate multiple random
geometries of the templatesand monomers which are subsequently optimized using
dispersion corrected density functional theory.Analysis of the most stable structures
obtained shows that they maximize the number ofintramolecular hydrogen bonds in the
tetracycline molecule. In addition, hydrogen bonding interactions between thesilane and
the TC and ETC molecules are observed. The bonding between the silanes and
ATC/EATC, on the other hand, is unspecific and primarily due to dispersion. Systems
with tetraethoxysilane as the monomer show the lowest, most favorable binding energy
compared to other silanes.
CHED 75
WITHDRAWN
CHED 76
Preparing students for greener workplaces through microwave chemistry
Michael J. Karney, michael.karney@cem.com, Grace S. Vanier.Life Sciences Division,
CEM Corporation, Matthews, NC 28106, United States
As the industrial and academic chemistry labs of tomorrow evolve, so must the curricula
of universities. With the principles of green chemistry presenting both financial and
chemical advantages, there has been a focus on improving the efficiency of new and
existing industrial reaction pathways according to these principles. With the spread of
this new way of thinking about chemistry, microwave reactors have also spread into
every discipline of chemistry. Microwave reactors have long been tied to green
chemistry because of their efficiency and ability to perform novel reactions. Educating
students in the technique and practice of microwave green chemistry prepares them for
successful careers, equipping them with advantages both on their resumes and in the
laboratory. This presentation will introduce pedagogy and laboratory experiments
designed to encourage growth in the realm of teaching microwave green chemistry.

CHED 77
Results and evaluation of a green approach to KnoevenagelDoebner
condensation reaction in a second-year organic chemistry laboratory class
Koushik Banerjee, Ruchi Patel, ruchi.patel@bobcats.gcsu.edu, Peng Hao.Department
of Chemistry, Physics and Astronomy, Georgia College and State University,
Milledgeville, GA 31061, United States
As part of our efforts to minimize the use of toxic chemicals in organic chemistry
instructional laboratories, a newly developed KnoevenagelDoebner reaction in a
multistep sequence to 2'-bromostyrene was developed and applied over a period of four
semesters. The conventional base used during this reaction used to be pyridine, which
is a highly toxic compound. We have been able to replace pyridine with a nucleophilic
catalyst, DMAP, as well as discover and apply a microwave-mediated route. Herein, we
will present the results and evaluations of this green reaction in second-year organic
chemistry laboratory carried out during the past year.
CHED 78
Sustainable polymers in the organic chemistry laboratory: Synthesis and
characterization of a fully renewable, degradable polymer from -decalactone and
L-lactide
Jane E. Wissinger1, jwiss@umn.edu, Debbie Schneiderman1, Marc Hillmyer1,
Tomohiro Kubo1, Michael Wentzel2, Chad Gilmer2. (1) Chemistry, University of
Minnesota, Minneapolis, MN 55455, United States (2) Chemistry, Augsburg College,
Minneapolis, MN 55454, United States
The importance of green and sustainable polymers is highlighted in a new experiment
developed for incorporation into the organic chemistry laboratory curriculum. Decalactone, a naturally occurring cyclic ester used by the food and flavor industry for
its coconut fragrance and taste, was polymerized by ring opening transesterification
polymerization (ROTEP) under acidic conditions with a diol initiator. The synthesis is
notable for its solvent free, room temperature reaction conditions as well as the ease at
which the catalyst can be removed from the polymer. 1H NMR analysis of the resulting
viscous product was used to determine the monomer conversion obtained and calculate
the molecular weight of the telechelic poly(-decalactone) formed. Continuation of the
experiment involved chain extension with L-lactide to yield a flocculent copolymer
material. Subsequent annealing resulted in a transparent, pliable, polymer film. The well
resolved 1H NMR peaks of the two component monomers facilitate a quantitative
analysis of polymer composition. The use of 100% renewable feedstocks and green
reaction conditions to produce an environmentally friendly polymer with interesting
properties exemplifies modern advances in sustainable polymer chemistry in the
classroom.

CHED 79
Green Chemistry Commitment: Transforming chemistry education
Amy S Cannon1, Amy_Cannon@beyondbenign.org, John C Warner2, Kate
Anderson1. (1) Beyond Benign, Wilmington, MA 01887, United States (2) Warner
Babcock Institute for Green Chemistry, Wilmington, MA 01887, United States
This presentation will describe the history and progress for a new program titled the
Green Chemistry Commitment. The program is a departmental commitment designed
for higher educational institutions as a voluntary, flexible framework for chemistry
departments to adopt green chemistry theory and practice. The Commitment is
centered on student learning objectives that take into account topics such as green
chemistry and toxicology, which have traditionally been absent from chemistry
programs. College and university chemistry departments sign on to the Commitment,
indicating that they value the student learning objectives and committing to working
towards implementing the student learning objectives within their own departments. The
Commitment is designed so that each institution can adopt the student learning
objectives through different means, recognizing that each department will have different
resources and different capabilities.
CHED 80
Green organic chemistry at Kingsborough Community College
Homar S Barcena, homar.barcena@kingsborough.edu, Pei Shan Chen.Physical
Sciences, Kingsborough Community College, Brooklyn, NY 11235, United States
Green experiments were adapted for the Organic Chemistry I and II curricula at a
community college setting. A new laboratory book was prepared for both courses.
Students were introduced to principles of green chemistry, green metrics, safety, and
hazards assessments. Where possible, contextual references to the environment and
human health were linked to the labs. Students were evaluated from pre-labs, post-labs,
and keeping laboratory notebook. These pedagogies show that green chemistry
effectively engages student interest and appreciation of the subject matter, and that
green Organic curricula can be effectively implemented at community colleges.
CHED 81
Teaching green chemistry in the developing world
Roseann K. Sachs1,2, rsachs@messiah.edu, Seng Samphors1. (1) Department of
Chemistry, Royal University of Phnom Penh, Phnom Penh, Cambodia (2) Department
of Chemistry and Biochemistry, Messiah College, Mechanicsburg, PA 17055, United
States

During the 2009-2010 academic year, a new laboratory course in Green Chemistry was
developed at the Royal University of Phnom Penh, in Phnom Penh, Cambodia. This
university is the oldest public institution of learning in Cambodia, but is still recovering
from the losses incurred during the Khmer Rouge and subsequent years of civil war. In
this new course, students were asked to think critically, work in groups, but sometimes
independently, analyze their data and prepare laboratory reports, all while learning ways
to do chemistry in a more sustainable way. Designed for third year university students,
this course included six experiments, one of which was research focused and
challenged the students in significant ways, being previously unexposed to laboratories
of this type. A number of group exercises were developed and used to encourage
critical thinking about the experiments, analysis of chemical risk, and green chemistry,
all within the Cambodian context.
CHED 82
Undergraduate research and the Green Chemistry Commitment: Training
students to serve society as scientists and professionals
Edward J. Brush, ebrush@bridgew.edu.Department of Chemical Sciences,
Bridgewater State University, Bridgewater, MA 02325, United States
One of the learning objectives of the Green Chemistry Commitment states that
chemistry majors should be able to serve society in their professional capacity as
scientists and professionals through the articulation, evaluation and employment of
methods and chemicals that are benign for human health and the environment. This
goal can be accomplished through incorporating green chemistry principles into
undergraduate research projects. The benefits of undergraduate research have been
well documented, but when combined with green chemistry principles an unusually
strong synergy was created. Our green chemistry research group begins their research
experience as part of our freshman summer bridge program. Group activities include
study and application of the 12 Principles of Green Chemistry, research and general
discussion meetings, and semester and summer grants that are driven by student
proposals. Besides training in basic chemistry research, we have observed the
evolution of a student culture centered on green chemistry and sustainability.
CHED 83
Chemistry of Cajun cooking competition
Justin S. Miller1, jsmiller@hws.edu, Gavin L. Sacks2, gls9@cornell.edu. (1)
Department of Chemistry, Hobart and William Smith Colleges, Geneva, NY 14456,
United States (2) Department of Food Science, Cornell University - NYSAES, Geneva,
NY 14456, United States
Finalist teams from the Communicating Chemistry: Cajun Cooking (C4) competition will
present their take on the chemistry of Cajun cuisine. The entries will relate to the

regional cuisine of New Orleans, interpreted broadly. Entries may focus on a well-known
Cajun dish; a technique important to regional cooking; or on chemical transformation
that unites the cuisine.
CHED 84
Chemist + Chef = Recipe for culinary chemistry delight
Holly Sebahar, holly.sebahar@utah.edu, Bryan Woolley.Department of Chemistry,
University of Utah, Salt Lake City, UT 84112, United States
Culinary Chemistry at the University of Utah is designed to demonstrate the beauty,
relative simplicity, and relevance of science to an aspect of everyday life that everyone
loves and appreciates. The ultimate desired outcomes of this course are to convince
students that science can be fun and thought-provoking without being analytically
complex, to stimulate students' interest in science as it relates to food and cooking, to
educate students about nutrition and the health consequences arising from what we eat,
and to encourage students to become more conscientious consumers. The course is
team taught by a professional Chef and an Organic Chemist. The majority of class
periods are held at a professional kitchen where the students perform a great deal of
cooking themselves. This team taught approach adds much complexity and flavor to the
course. The students learn traditional concepts such as acid/base chemistry,
intermolecular attractions, and physical properties. They are also exposed to the history
of food, specialized cooking techniques, and professional equipment such as steam
ovens and induction cooktops. Examples of the recipes, course assignments, and
student feedback are described.
CHED 85
Chemistry in the public eye: Social media, active displays, and immediate open
access
Jeffrey J Bodwin, bodwin@mnstate.edu.Department of Chemistry, Minnesota State
University Moorhead, Moorhead, Minnesota 56563, United States
Chemistry is a fascinating and fun science that all too often is sequestered behind
closed doors in labs that have a mysterious, complex & intimidating aura. As educators,
we often try to make chemistry more accessible in the classroom, but often students
already have a negative view of chemistry before they ever attend their first class. The
open-science movement has developed in part to address some of these problems and
has been greatly aided by social media and other publicly accessible (both physically
and intellectually) venues. Various social media strategies and other web-based
outreach/open-science activities will be presented, as well as preliminary assessment of
their effectiveness.
CHED 86

Undergraduate teaching laboratory exercise for the analysis of caffeine and


benzoate in beverages
Corina E Brown1, brow2423@bears.unco.edu, Peter Karnilaw2, Richard M
Hyslop3. (1) Chemistry and Biochemistry, University of Northern Colorado, Greeley, CO
80639, United States (2) Chemistry and Biochemistry, University of Northern Colorado,
Greeley, CO 80639, United States (3) Chemistry and Biochemistry, University of
Northern Colorado, Greeley, CO 80639, United States
An HPLC method for the analysis of caffeine and benzoate in beverages was developed
for use in an undergraduate teaching laboratory. The method involves the simultaneous
preparation of caffeine and benzoate standards as well as simultaneous analysis of the
two analytes. Separation is accomplished using a C-18 column with an isocratic mobile
phase of methanol:acetate buffer using UV detection. Quantification is linear over the
range of 50-250 ppm for caffeine and 100-500 ppm for benzoate. Beverages containing
either caffeine, benzoate, or both are degassed if carbonated with dilution with
appropriate dilution prior to analysis. Standard preparation, sample preparation, and
analysis of both can be accomplished within a typical three-hour laboratory period.
CHED 87
What's wrong with a diet root beer float? Freezing point depression studies with
beverage sweeteners
Roderick S Black, rsblack@ku.edu, Andrew D Spaeth, Lianna Dang, Dustin
Moseley.Department of Chemistry, University of Kansas, Lawrence, KS 66045, United
States
The smooth texture of a multi-phase treat like the ice cream soda can be disrupted by
ice crystals near its solid/liquid interface. Thus, the freezing point of a beverage can be
important for successful pairing with a frozen dessert, especially for low-solute-molality
diet beverages, which freeze at higher temperatures than their conventionally
sweetened counterparts. In an undergraduate Chemistry Club activity outside of the
conventional science laboratory, students make ice cream sodas and use their scientific
knowledge to illuminate texture and flavor critiques of diet and conventionallysweetened desserts. In a related general chemistry exercise, students study the
significance of colligative properties in multi-phase dessert design by determining the
freezing points of sucrose and artificial sweetener solutions. Advanced experiments
assess the average molar masses of mixed-sweetener products. Student enthusiasm
for the study of colligative properties is fostered by examining the impact of
concentration on selection of appropriate beverages for chilled desserts.
CHED 88
Teaching chemistry at a technical college through practical field work: Milwaukee
River project

Scott A. Schlipp, schlipps@matc.edu, Janice L. McCann, Dinah Nelson, Chris


Emcke.Department of Natural Science, Milwaukee Area Technical College, Milwaukee,
WI 53215, United States
Milwaukee Area Technical College (MATC) chemical technician students collect river
water samples from five predetermined sites along the Milwaukee River that encompass
Milwaukee County's watershed. MATC students conduct field analysis at these river
sites to collect data for phosphorus, pH, dissolved oxygen, nitrates, nitrites, flow rate,
temperature, and the use of solid phase microextraction (SPME) for the detection of
pesticides through gas chromatography mass spectrometry (GC/MS). The river samples
are also analyzed for heavy metals by inductively coupled plasma (ICP), nitrates and
nitrites by ion chromatography (IC) and visible spectroscopy for phosphorus by the
ascorbic acid method. All field and laboratory analysis is performed by the MATC
chemical technician students at MATC. This project is designed to teach two-year
students the methodology of a research project through a hands on approach. MATC
students learn to analyze the results and prepare their findings for a presentation in a
poster format.
CHED 89
Characterization map of scientific text: A tool designed to improve chemistry
students' scientific writing
Salete L Queiroz1, salete@iqsc.usp.br, Jane R. S. Oliveira2. (1) Institute of Chemistry,
University of So Paulo, So Carlos, So Paulo 13561-200, Brazil (2) Department of
Chemistry, Federal University of So Paulo, So Carlos, So Paulo 13565-905, Brazil
Despite substantial evidence that writing can be an effective tool to promote student
learning and engagement, writing-to-learn practices are still not widely implemented in
chemistry disciplines in Brazil, particularly at research universities. To address these
issues, we undertook an initiative to design a tool to improve undergraduate chemistry
students' scientific writing: Characterization Map of Scientific Text. The Characterization
Map is mainly based on Bruno Latour's Science in Action (Latour, 1987). The Map has
structural and rhetorical aspects of the scientific writing, as well as textual elements
related to these aspects.
In addition we applied this tool in inorganic and organic chemistry disciplines offered to
undergraduate students in Brazilian universities. The main objective of this paper is to
investigate its functioning as a facilitator in improving scientific writing of the students
and as a scientific texts analysis tool.
Latour, B (1987). Science in action: how to follow scientists and engineers through
society. Cambridge: Harvard University Press.
CHED 90

Measuring student understanding of acid-base reactions using the Acid-Base


Concept Inventory (ABCI)
Jana Jensen, jensenjd@muohio.edu, Stacey Lowery Bretz.Department of Chemistry
and Biochemistry, Miami University, Oxford, Ohio 45056, United States
The purpose of this study is to identify misconceptions that students have about acidbase reactions. Our research questions include: (1) How do students identify acid-base
reactions? (2) What features stand out to students as essential in acid-base reactions?
Thirty-four students were interviewed from high school, general chemistry 1 & II, organic
chemistry I & II, and a graduate level organic chemistry seminar regarding their
classification schemes for 13 reactions. A 28-item Acid-Base Concept Inventory (ABCI)
was developed using student interviews. The distracters within the inventory come
directly from student explanations of how particles interact in reactions. The ABC
Inventory was pilot tested with 1,199 students in high school, general chemistry, and
organic chemistry courses. Results from a final study with a national sample of general
chemistry students will be presented.
CHED 91
Using advanced statistical analyses in chemical education research: Applications
of structural equation modeling, cluster analysis, and multinomial logistic
regression
Jeffrey R Raker1, raker.jeff@gmail.com, Kimberly J Linenberger1,
klinenb@iastate.edu, Kristen Murphy2, Thomas A Holme1. (1) Department of
Chemistry, Iowa State University, Ames, Iowa 50011, United States (2) Department of
Chemistry & Biochemistry, University of Wisconsin - Milwaukee, Milwaukee, Wisconsin
53201, United States
Advanced statistical analyses including structural equation modeling, cluster analysis,
and multinomial logistic regression provide education researchers with additional
methods for testing hypotheses about binary, ordinal, and continuous data. This poster
will present results from three studies conducted by the ACS Examinations Institute. 1.)
The use of structural equation modeling to gage the impact of objective and subjective
exam item complexity on student performance. 2.) The use of cluster analysis to identify
levels of chemistry faculty familiarity with assessment terminology. 3.) The use of
logistic regression to understand the differences on several assessment instruments
between students enrolled in several different general chemistry courses. We will
present a brief background, the types of questions that can be answered, and how to
interpret the results for each method.
CHED 92
Developing an instrument to measure meaningful learning in the undergraduate
chemistry laboratory

Kelli R Galloway1, rushkm@miamioh.edu, Taylor Owings2, Marcy Towns2, Stacey


Lowery Bretz1. (1) Department of Chemistry and Biochemistry, Miami University,
Oxford, OH 45056, United States (2) Department of Chemistry, Purdue University,
West Lafayette, IN 47907, United States
While there exists a large literature discussing the importance the undergraduate
teaching laboratory, there is remarkably little data on its impact, including student
perspectives regarding their laboratory experiences. Student perspectives need to be
understood in order for teaching and learning in the undergraduate laboratory to
improve. Novak's Theory of Meaningful Learning states that the cognitive, affective, and
psychomotor domains must be integrated for meaningful learning to occur. Therefore,
for students to learn meaningfully in the laboratory, they must not only be cognizant of
each domain, but also achieve integration of three domains. In order to investigate
students' meaningful learning in the laboratory, an instrument was developed to
measure student expectations and experiences with regard to performing laboratory
experiments. The items for the survey were inspired by existing instruments including
the CSCI, ASCI, ASCIV2, CHEMX, MCAI, CLAI, C-LASS, and CASPiE lab scales due
to their direct incorporation of one or more meaningful learning domain(s). The
Meaningful Learning in the Lab Inventory has been pilot tested with general, organic,
and physical chemistry students at both a large Midwestern research university and a
moderate size Midwestern liberal arts university. Results from the pilot testing will be
presented.
CHED 93
Education abroad in the sciences: Dickinson College's Norwich Science Program
R. David Crouch1, crouch@dickinson.edu, Brian Brubaker2. (1) Department of
Chemistry, Dickinson College, Carlisle, PA 17013, United States (2) Center for Global
Study and Engagement, Dickinson College, Carlisle, PA 17013, United States
Although participation in education abroad programs by U.S. undergraduates has
doubled in the past ten years, students majoring in the sciences continue to participate
in much smaller numbers than their peers in the arts & humanities, foreign languages
and social sciences. At Dickinson College in the 1990s, science majors rarely went
abroad despite a high overall level of participation in the college's robust portfolio of
programs. The College sought to increase education abroad opportunities for science
majors through the creation of a program that specifically met the needs of these
students, allowing them to progress in large, hierarchical majors at the host university.
This poster describes the current program for science students -including those
majoring in chemistry and biochemistry - that Dickinson offers at the University of East
Anglia in Norwich, United Kingdom.
CHED 94

Active reading documents (ARD's) as a tool to promote student learning through


meaningful reading of class material
Santiago A Toledo, stoledo@tlu.edu.Department of Chemistry, Texas Lutheran
University, Seguin, TX 78155, United States
A common struggle for educators of chemistry is to be able to promote student
interaction with the textbook and other class material prior to coming to class. This work
discusses the use of Active Reading Documents (ARD's) as a tool to promote and build
accountability around the students' need to engage actively with the reading before
class. The ARD's goal is to help students develop basic understanding, at different
cognitive levels, of the material before they first encounter it. This allows the instructorstudent time to be spent not lecturing over the book content, but facilitating and
promoting higher level learning. A detailed rubric for grading the ARD's will be
discussed and student generated examples will be shared. In addition, a brief
description will be provided of Marzano's Taxonomy which is the theoretical framework
from which the learning objectives for this student activity are derived.
CHED 95
Integrating current scientific research topics and literature into analytical
chemistry courses at a primarily undergraduate institution
Niina J Ronkainen, NRonkainen@ben.edu.Department of Chemistry and Biochemistry,
Benedictine University, Lisle, IL 60532-0900, United States
Teaching chemical concepts and process skills in a context that is relevant to students'
lives is an effective pedagogical approach. It is important that undergraduate students
become exposed to the critical analysis and interpretation of scientific data before
entering graduate or professional programs. The incorporation of scientific research
literature and topics into three Analytical Chemistry courses at a Primarily
Undergraduate Institution will be described. The pedagogical approach, course content,
learning objectives, and testing using context based questions will be explained.
CHED 96
Periodic pyramid of the elements
William Tandy Grubbs, wgrubbs@stetson.edu, Jennifer N Hennigan.Department of
Chemistry, Stetson University, DeLand, FL 32723, United States
The maximum number of electrons that can occupy the successive electronic shells of
the atom, given by 2, 8, 18, and 32 for the first four shells, are shown in this work to be
related to the triangular numbers from mathematical number theory. This geometric
relationship suggests an alternate method for arranging elements in terms of periodicity.
The resulting three-dimensional 'periodic pyramid' is highly symmetric in shape, and the

overall structure of the pyramid can be separated into shell and sub-shell contributions.
Examining the pyramid's structure is arguably a pedagogically useful classroom activity,
as it gives students an opportunity to further ponder periodicity and to grapple with the
shell model of the atom.
CHED 97
Comparison of student learning retention using audience response devices
Jeffrey A Jenson, jenson@findlay.edu, Hafed A Bascal.Department of Physical
Science, The University of Findlay, Findlay, United States
For some time now, audience response devices (clickers) have been used in a
classroom setting. In my classes, clickers have been used for the administration of in
class quizzes for a number of years. Students enjoy this form of quiz rather than the old
paper quizzes primarily because of the instant feedback they get. Clickers can also be
quickly graded and uploaded to the learning management system, making my job
easier.
One aspect of learning that needs to be addressed is retention of information from the
time it is presented in class to the time of the final examination. Many students
memorize information for exams and then quickly forget the information. Methods have
been developed to discourage memorizing but have they worked?
This poster will provide data on retention of the same questions asked on the ACS final
examination. The students will not be told any details of the ACS exam to keep its
integrity intact. In this way student retention of information can be obtained.
CHED 98
Building bridges: Integrating mathematics, science, and engineering on the South
Plains
Laci Singer, laci.singer@ttu.edu, Erin Oliver, erin.oliver@ttu.edu, Dominick J.
Casadonte.Department of Chemistry & Biochemistry, Texas Tech University, Lubbock,
TX 79409, United States
Building Bridges is Texas Tech University's National Science Foundation GK-12
program, focusing on the integration of mathematics, science, and engineering in
graduate research and in the K-12 environment. This is accomplished by creating
STEM Cohorts, where STEM Graduate Fellows pair with math or science Teacher
Fellows at the same school. The organization of the program at TTU is designed to 1)
facilitate the research activities of the Graduate Fellows, 2) develop professional
experiences for both Graduate and Teacher Fellows, 3) encourage collaborative design
and implementation of an integrated curriculum, and 4) create cyber-capable
dissemination platforms for nationwide outreach through a distance-learning classroom

environment. Through their experience in the Building Bridges GK-12 program, the
STEM Graduate Fellows, Teacher Fellows, and K-12 students gain an enhanced
understanding of the interconnectedness of STEM disciplines in research and
academia. The model developed is one that can be easily replicated to further
interdisciplinary STEM education.
CHED 99
Science of art: From creation to authentication to preservation
Kassy A Mies, miesk@meredith.edu, Sayyeda Zeenat A. Razvi.Department of
Chemistry, Physics, and Geoscience, Meredith College, Raleigh, North Carolina 27607,
United States
The Chemistry Program at Meredith College has developed a new travel course, The
Science of Art: from Creation to Authentication to Preservation. This course was taught
as a part of the College's Study Abroad Program in Sansepolcro, Italy during the
summer of 2012. This five week course fulfilled the natural science elective for nonscience majors for the general education curriculum and was developed by a chemistry
faculty member and a senior chemistry major. The goal of this course was to apply
basic scientific theories to understand the creation, authentication, and preservation of
art using Italy as classroom. We used a combination of in-class lectures, hands-on
activities, debates, field trips, and student presentations to demonstrate the interwoven
nature of art and chemistry. Here we will focus on the course modules used to connect
Italian art to fundamental chemical principles: Basic Chemistry; Atoms and Light;
Compounds; and Solvents, Solutions, and Solubility.
CHED 100
Development of a photographic gallery of crystallization techniques and the
errors associated with them
J. Martin E. Quirke1, j.quirke@att.net, Jonathan C. Quirke2, Mayra Exposito1, Lilia San
Miguel1. (1) Department of Chemistry and Biochemistry, Florida International
University, Miami, Florida 33199, United States (2) Department of Chemistry and
Biochemistry, Oberlin College, Oberlin, Ohio 44704, United States
Laboratory textbooks and manuals contain very few high quality photographs, if any, to
reinforce the narrative. Also, they do not show what happens when students fail to
follow their instructions on techniques. Thus, students may not understand the need to
follow instructions. This photographic presentation surveys a range of techniques
including single solvent, mixed solvent and vapor phase diffusion crystallizations,
together with the errors associated with them. Fundamental methods are demonstrated
by crystallizations using Pd (II) octaethylporphyrin, Zn(II) octaethylporphyin, acetamide
and 1,2,3,4-tetraphenylnapthalene. Samples were chosen to illustrate different facets of
the techniques and phenomena such as the generation of different crystal forms.

Common errors including incorrect solvent selection, misuse of decolorizing charcoal,


improper hot filtration are shown. In addition to reinforcing the need to follow
experimental technique, the galleries are useful in assisting students to diagnose the
cause of any mistakes that they have made.
CHED 101
Student goals for undergraduate laboratory
Marcy H Towns2, mtowns@purdue.edu, Taylor Owings2, Stacey Lowery Bretz1, Kelli
Rush Galloway1. (1) Department of Chemistry and Biochemistry, Miami University,
Oxford, OH 45056, United States (2) Department of Chemistry, Purdue University,
West Lafayette, IN 47907, United States
Reviews of laboratory research have suggested the need for further articulation of
faculty goals for laboratory. Along side of that research lies the need to understand
student goals for laboratory and the interaction between the goals of faculty and
students. We have recently embarked upon project designed to elucidate and probe the
student goals for undergraduate chemistry laboratory. Students in general chemistry,
organic chemistry, and physical chemistry laboratory courses were surveyed at the
beginning and end of the semester about their goals and how they expected to achieve
them. Results from this study will be shared.
CHED 102
Council on Undergraduate Research: A faculty development organization
Robert E. Bachman, rbachman@sewanee.edu.Division of Chemistry, Council on
Undergraduate Research, Washington, DC 20005, United StatesDepartment of
Chemistry, The University of the South, Sewanee, TN 37383, United States
Collaborative student-faculty research, scholarship and creative activities, commonly
referred to as undergraduate research, has been increasingly recognized as a high
impact educational practice in numerous studies of effective pedagogies. The Council
on Undergraduate Research (CUR) is the leading national voice of faculty engaged in
research with undergraduates. This presentation will highlight CUR's structure and the
many services CUR offers to faculty currently working with undergraduate students in
research, or interested in beginning such work.
CHED 103
NSF S-STEM scholarship and support mechanisms: A cohort-based summer
bridge program in chemistry

Kate J Graham, Edward J McIntee, emcintee@csbsju.edu, Paige M


Armbrister.Department of Chemistry, College of Saint Benedict/Saint John's University,
Saint Joseph, MN 56374, United States
The College of Saint Benedict/Saint John's University (CSB-SJU) was awarded an NSF
S-STEM grant in August 2011. The primary goal of the FoCuS Scholarship and Support
Program is to increase the number of students, particularly high achieving students from
groups historically underrepresented in science completing a major in chemistry or
biochemistry at CSB-SJU. FoCuS provides scholarships and an infrastructure to
support our FoCuS students (and all of our majors) throughout their college careers.
These efforts will improve our retention of the FoCuS scholars. We have planned a
support system for these students utilizing several key activities. This presentation will
focus on cohort-building activities during our summer bridge program that have proven
to be crucial for the retention of FoCuS students.
CHED 104
Chemistry self-concept, chemistry achievement, and instructional methods in
high school chemistry classrooms
Sara E Nielsen, nielsese@muohio.edu, Ellen J Yezierski.Chemistry and Biochemistry,
Miami University, Oxford, OH 45056, United States
Student beliefs, though less often studied than achievement, are an important part of
students' success in chemistry. Prior research has shown that students' beliefs about
their ability to do chemistry affect their performance and persistence in chemistry. Albert
Bandura's Social Learning Theory considers a reciprocal relationship among three
determinants that affect students: personal, behavioral, and environmental. In this study
the personal determinant is represented by student self-concept, the behavioral
determinant is represented by student achievement, and the environmental determinant
is represented by the instruction students receive. The determinants are measured with
the Chemistry Self-Concept Inventory, content quizzes, and the Reformed Teaching
Observation Protocol, respectively. To investigate the nature of the relationships among
the three determinants, a longitudinal study is being conducted with high school
chemistry students. An analysis of several rounds of self-concept, achievement, and
instructional methods data will be presented.
CHED 105
POGIL activities that use climate change to teach general chemistry
Daniel King1, daniel.king@drexel.edu, Jennifer E Lewis2, Karen Anderson3, Douglas
Latch4, Susan Sutheimer5, Gail Webster6, Cathy Middlecamp7, Richard Moog8. (1)
Department of Chemistry, Drexel University, Philadelphia, PA 19104, United States (2)
University of South Florida, United States (3) Madison College, United States (4)
Seattle University, United States (5) Green Mountain College, United States (6)

Guilford College, United States (7) University of Wisconsin, Madison, United States (8)
Franklin and Marshall College, United States
Climate change is a topic that is familiar to most students. It is also a topic that relates
to many topics covered in general chemistry. Through an NSF-funded project, we are
developing a series of in-class POGIL (Process Oriented Guided Inquiry Learning)
activities that use climate change topics to teach general chemistry concepts. It is
expected that these new activities will help engage students in learning fundamental
general chemistry concepts. We will also be investigating student discourse collected
during the activities. This information will inform revisions of the activities so that they
better promote both the development of scientific concepts and how these relate to
socio-economic and environmental issues. A set of activities have been written and are
being tested during the 2012-2013 academic year. The key features of the activities and
feedback on their use will be described in this presentation.
CHED 106
History of chemistry capstone course: New solutions to an old problem
Alan J Rodrguez, achilles.heir@gmail.com, Ingrid Montes.Department of Chemistry,
University of Puerto Rico, Rio Piedras, Puerto Rico 00976, Puerto Rico
Courses on the History of Chemistry have been, in the past, the source of heated
debate in terms of their profit and relevance to the chemistry curriculum. Based on the
number of publications on the topic, the teaching of these courses reached its peak
almost 40 years ago and has been decaying ever since. Nonetheless, in the last few
years, a couple of papers have been published on the topic, hinting to a renewed
interest on the discipline. To attend this, a capstone course has been designed that
integrates both graduates and higher-level undergraduate students in a non-traditional
experience that fosters creativity, problem solving skills, general knowledge, and
teamwork. The course has been implemented and found out to successfully attend the
shortcomings of the traditional design. The preliminary results are very promising. The
design, methodology and preliminary findings will be detailed.
CHED 107
Increasing student retention in chemistry and other STEM majors through the
Collaborative Learning Program
Mandy M. Raab1, mandy.raab@email.stvincent.edu, Matthew A. Fisher2, Stephen M.
Jodis1. (1) Herbert W. Boyer School of Natural Sciences, Mathematics, and Computing,
Saint Vincent College, Latrobe, PA 15650, United States (2) Department of Chemistry,
Saint Vincent College, Latrobe, PA 15650, United States
The Collaborative Learning Program (CLP) at Saint Vincent College focuses on the
problems faced by many undergraduate institutions in capturing and maintaining a

student's enthusiasm for a chosen STEM discipline long enough to reach graduation.
CLP is designed to increase student mastery of course concepts and persistence in
majors such as chemistry and biochemistry through the use of collaborative learning
environments held outside of class and led by student facilitators. Discussions include
real-world applications to course concepts. In its fourth year, the program has
successfully reached important benchmarks related to student participation in CLP
sessions and retention in STEM majors. We will present an overview of the CLP
program and data related to program impact, including a comparison of course pass
rates for General and Organic Chemistry with prior historical data.
CHED 108
Impact on facilitators of involvement in Saint Vincent College's Collaborative
Learning Program
Bettie A. Davis1, bdavis@stvincent.edu, Mandy M. Raab2, Matthew A. Fisher1. (1)
Department of Chemistry, Saint Vincent College, Latrobe, PA 15650, United States (2)
Herbert W. Boyer School of Natural Sciences, Mathematics, and Computing, Saint
Vincent College, Latrobe, PA 15650, United States
The Collaborative Learning Program (CLP) at Saint Vincent uses outside of class
collaborative learning sessions led by student facilitators to increase student mastery of
concepts in science courses such as general chemistry and general biology. Student
facilitators are responsible not only for leading the sessions but also planning and
developing the activities used. While a number of studies have looked at the
effectiveness of peer-led sessions for students taking general or organic chemistry,
much less attention has been given to the impact of serving as a facilitator on a
student's knowledge and understanding of the material, ability to communicate this
knowledge, and goals for future pursuits. This poster will present initial results of
interviews conducted with past and present facilitators that focus on these questions.
CHED 109
Predictors of student success in general chemistry courses
Sarah J. Pilkenton1, spilkenton@framingham.edu, Catherine F. Dignam1,
cdignam@framingham.edu, LaDonna Bridges2, Michelle Sterk Barrett2. (1) Department
of Chemistry and Food Science, Framingham State University, Framingham, MA 01701,
United States (2) Center for Academic Support and Advising, Framingham State
University, Framingham, MA 01701, United States
Enrollment in first year chemistry courses for science and engineering majors have
experienced a marked growth at Framingham State University. Enrollment increases
have led to University wide discussions regarding student success in all STEM gateway
courses. It is desired that the number of students who withdraw from the course or who
earn grades of D or F be reduced without compromising the quality of the education

provided. In an effort to better understand what types of qualities a successful first-year


chemistry student exhibits, a study has been undertaken to identify predictors of student
success in general chemistry courses based on student SAT mathematics and reading
scores and student performance on math placement exams. A significant correlation
between student scores on the mathematics and reading scores on the SAT and the
Accuplacer mathematics exam and student success in freshman chemistry courses has
been observed. It is the hope that this information will be used in two ways (1) to better
inform advising and prerequisite policies and (2) to develop appropriate support and
preparative programs geared toward students who have predictors that correlate with a
high probability for unsuccessful completion of general chemistry.
CHED 110
Hands-on STEM education and enchanted experiences for students with
blindness or low vision (BLV)
Roger Tower, rtower@independencescience.com.Independence Science, West
Lafayette, Indiana 47906, United States
Commonly relegated to note taker or secretary, a student with BLV often is not given
the hands-on learning opportunities provided for their peers. Roger Tower presents his
experiences from the Enchanted Hills Summer Camp (EHC) for the Blind and the
importance of inclusion of students with disabilities in science courses. In partnership
with the San Francisco Lighthouse for the Blind, EHC empowers individuals to find
strength, confidence and independence while enjoying nature, making friends, and
meeting other people with disabilities. Set deep in the hills of Napa Valley, campers
conducted experiments in their local environment with the accessible data collection
tool, Talking LabQuest. Explored are the values of an educational summer camp
experience for all students' growth and interest in academic material. Learn how
accessible science, technology, engineering, and mathematics (STEM) can be, with the
right tools and methodologies.
CHED 111
Multi-Sensory Science Teacher Education Research Laboratory (the MISTER Lab)
at Illinois State University
Cary A Supalo, casupal@ilstu.edu.Chemistry, Illinois State University, Normal, IL
61790, United States
This research laboratory has been founded on the premise that multi-sensory science
approaches to teaching enhances student learning. This entity is committed to student
engagement and the full integration of all students including those with special needs.
This research laboratory focuses on the acquisition and testing of hands-on learning
tools in all areas of science. Further, the uses of virtual laboratory modules along with
haptics interfaces are areas of interest. Through the multi-sensory inputs and outputs of

scientific concepts, it is believed this will make science more inclusive for all learners.
The MISTER Lab is committed to universal design approaches to teaching science and
we are interested in collaborations with other researchers who are equally committed.
The use of text-to-speech interfaces for students with blindness or low vision (BLV) is
another primary area of interest. We believe hands-on tactile and audio outputs
complements and reinforces science learning for all students.
CHED 112
Design and implementation of general chemistry curriculum for pre-service
teachers
Pong Kau Yuen1, pkyuen@umac.mo, Diana, Cheng Man Lau2. (1) Faculty of Science
and Technology, University of Macau, Macau (2) Faculty of Management and
Administration, Macau University of Science and Technology, Macau
Chemistry is an important science subject and the effectiveness of chemical education
is critical to the advancement of scientific literacy of students. Chemical education is the
central part of the science education. In order to fulfill the requirements for the minor
program in science education, the general chemistry curriculum have been designed
and implemented for the Macau's pre-service teachers. The purpose of this paper is to
review the mechanism of designing chemistry curriculum and introduce the objectives,
the content, the teaching approach and the assessment of the chemistry courses for the
pre-service teachers in Macau.
CHED 113
Influence of student-created technique videos on long-term retention of student
technique
Mitzy A Erdmann, merdmann@uab.edu, Joe L March.Department of Chemistry,
University of Alabama at Birmingham, Birmingham, AL 35205, United States
Video capable cellular phones have become increasingly important in documenting
everyday life events. This trend presents educators with an exciting opportunity to
extend this capability into the introductory laboratory. Having already shown the
feasibility of having students create technique videos with previously owned hand-held
devices, the authors focused on gains in student technique following completion of the
video assignment. Short-term gains of student technique using (1) an analytical balance
and (2) a Mohr pipet have been previously reported. Long-term retentions was
determined and compared to previously collected short-term retention findings. An
experimental group created a pipet video while a control group created a balance video.
Gains in students' ability to record volumes using the correct significant figures or
minimize error when using an analytical balance were compared to pre-activity and at
the end of the term. This talk will discuss the results of the Pre- /Post- analysis and
outline future directions for the project.

CHED 114
Chemistry and scientific reasoning: Development and implementation of
classroom activities
Justin H. Carmel, carmeljh@miamiOH.edu, Yasmin Jessa, jessay@muohio.edu, Ellen
J. Yezierski.Department of Chemistry and Biochemistry, Miami University, Oxford, OH
45056, United States
A goal of many chemistry classes for non-science majors is to not only teach content in
a context that is pertinent to students' daily lives, but also to encourage them to think
critically. Scientific reasoning (SR), an important subset of critical thinking important to
scientists, includes being able to examine data, make inferences and generate
hypotheses. Typical gains in students' SR ability have been quantified through use of
the Lawson Classroom Test of Scientific Reasoning with a historical control. Results
have guided the design of the instructional treatment: A series of 15 content-rich,
reasoning-focused interventions using a guided inquiry framework. This pedagogical
approach has been previously shown to help students' improve their SR skills. Activities
were designed to align seamlessly with the course curriculum based on Chemistry in
Context, an American Chemical Society publication. A detailed explanation of the
nature, development, and testing of the interventions will be presented.
CHED 115
Using the Redox Concept Inventory (ROXCI) to assess student misconceptions
across the particulate and symbolic domains
Allie Brandriet, brandrar@muohio.edu, Stacey Lowery Bretz.Department of Chemistry
& Biochemistry, Miami University, Oxford, OH 45056, United States
Students lack a firm understanding of a topic usually taught during the first semester of
general chemistry: oxidation-reduction reactions (redox). Although students construct
knowledge from the data obtained by their senses, many textbooks and teachers focus
heavily on symbolic equations and rules for determining oxidation numbers as the tools
for learning redox concepts. Students can be left with memorized definitions, a
superficial understanding, and misconceptions about a complex topic that has a strong
particulate foundation. In order to elicit student ideas about oxidation-reduction on a
large scale, the Redox Concept Inventory (ROXCI) was created based on 39 semistructured interviews with undergraduate students. Preliminary data will be collected
from general chemistry and organic chemistry students in fall 2013. Findings from the
pilot implementation of the inventory will be discussed.
CHED 116
Analysis of student performance on the Molecular Attractions Concept Inventory

Michael P Bindis, bindismp@muohio.edu, Stacey Lowery Bretz.Department of


Chemistry and Biochemistry, Miami University, Oxford, OH 45056, United States
The Molecular Attractions Concept Inventory (MACI) has been implemented with
national samples of high school and undergraduate chemistry students. The MACI
assessed student understanding of intermolecular forces with questions developed from
student responses to interviews involving paper chromatography experiments. The
inventory was revised into the current form after a pilot study with a smaller sample of
undergraduate students. Results of performance of high school and undergraduate
students will be presented, along with statistical measures that illustrate the reliability
and validity of MACI. In addition, alternate conceptions of students with regard to
intermolecular forces and paper chromatography will be presented.
CHED 117
Informing practice from assessment results: The assessment as scientific inquiry
framework
Jordan T Harshman, harshmjt@miamioh.edu, Ellen J Yezierski.Department of
Chemistry and Biochemistry, Miami University, Oxford, OH 45056, United States
Formative assessment research in science focuses heavily on design, implementation,
and validation, but does not elaborate on how teachers should use results of
assessments to enhance their teaching practice. This study posits an original framework
built from a framework by Calfee and Masuda called the Assessment as Scientific
Inquiry (ASI) framework. This framework attempts to elaborate on a step not previously
addressed in formative assessment research: The transition from interpretation of data
to the instructional decision that is made. Interviews seeking to probe beliefs about
original assessments were conducted with several chemistry teachers from a national
sample. Interviews aimed to elicit chemistry teachers' beliefs regarding the role of
assessment, their interpretation of assessment results, and their justification for the
decisions made per that interpretation. In addition, teachers completed the Science
Teacher Efficacy and Beliefs Instrument (STEBI) to probe teachers' outcome
expectancy. Results regarding the criteria used to determine a conclusion and decision
based on the results of teachers' original assessments will be presented.
CHED 118
Survey of student's ability to transfer knowledge of organic chemistry to
metabolism pathways
Corina E Brown1, brow2423@bears.unco.edu, Richard M Hyslop2. (1) Chemistry and
Biochemistry, Univeristy of Northern Colorado, Greeley, CO 80631, United States (2)
Chemistry and Biochemistry, University of Northern Colorado, Greeley, CO 80631,
United States

<h1>A prerequisite course is prescribed with the assumption that will improve the
performance of the students in the course that required the prerequisite. Organic
chemistry is a prerequisite for the introductory biochemistry. Students in biochemistry
CHEM 381 a course for nutrition and some biology majors and CHEM 481 a course for
biochemistry, chemistry and some biology majors were presented with several tasks
pertinent to organic chemistry and their equivalent in biochemistry. The research will
present the survey, the statistical analysis of students' ability to transfer knowledge
between the two types of chemistry, discussions and implications of the results.</h1>
CHED 119
Development of a rogue's gallery that illustrates practical errors and potential
risks in filtration
J. Martin E. Quirke1, j.quirke@att.net, Jonathan C. Quirke2, Lilia San Miguel1, Mayra
Exposito1. (1) Department of Chemistry and Biochemistry, Florida International
University, Miami, Florida 33199, United States (2) Department of Chemistry and
Biochemistry, Oberlin College, Oberlin, Ohio 44704, United States
Laboratory textbooks and manuals rarely illustrate what happens when students fail to
follow instructions on techniques. Thus, students may not understand why it is
necessary to follow instructions. This presentation focuses on errors and, more
importantly, the potential risks resulting from improper filtration technique. Fundamental
techniques are demonstrated using filtrations for several compounds. However, the
principle foci will be filtrations during the recrystallizations of aspirin and acetanilide
because these experiments are a common feature in core organic chemistry laboratory
classes. The challenges and dangers of hot filtration and vacuum filtration are explored.
Among the topics covered are selection of appropriate filter paper, use of sintered glass
filters, fluting filter paper, the need for clamping side-arm flasks, vacuum filtration of hot
solutions. The potential of the galleries for as a testing tool for pre-laboratory testing
exercises are also discussed.
CHED 120
Minding the gap: The role of general chemistry in organic chemistry student
success
Suazette Reid Mooring, smooring@gsu.edu.Department of Chemistry, Georgia State
University, Atlanta, United States
Organic Chemistry is generally considered a gatekeeper course and the failure rate of
the two-semester sequence is high. Our goal is to determine the factors that lead to
successful completion and understanding of organic chemistry and to implement
interventions to increase student success in organic chemistry. To this end, we are
investigating how students' understanding of certain general chemistry concepts affects
their performance in organic chemistry. As a first step, chemistry faculty that teach both

general and/or organic chemistry were asked their opinion on what general chemistry
topics they viewed as important to student success in organic chemistry. Faculty
completed a survey to rate commonly presented topics in general chemistry and
participated in an interview regarding the role of general chemistry in student success in
organic chemistry, and to discuss the rating of general chemistry topics in the survey.
The results of the faculty survey and interview are presented.
CHED 121
Volunteer-based recruitment of future STEM teachers
Gary Lewandowski1, Daniel J McLoughlin2, mcloughlin@xavier.edu. (1) Department
of Mathematics and Computer Science, Xavier University, Cincinnati, Ohio 45207,
United States (2) Department of Chemistry, Xavier University, Cincinnati, Ohio 45207,
United States
This project explores the premise that community service-oriented STEM majors are
more likely to be interested -and more successful - in teaching in high-need districts.
Xavier University has a history of strong student volunteer contributions to the
community. Through an initial NSF Noyce Grant, we will use a community engagement
process to identify students that would not have otherwise pursued a teaching career.
This process includes connecting an introductory education course to urban education;
recruiting STEM majors to tutor in area schools; and creating a summer internship
program that provides students with experience teaching STEM topics to
underrepresented minorities from local K-12 schools. Both public and private schools
are involved, further building on partnerships that will facilitate teacher placement in
high-need schools. The summer internships are residential and create a learning
community for interns. Competitive Noyce Scholarships will help community serviceoriented students complete licensure in their fourth or fifth year.
CHED 122
Students' understanding of bonding as measured by the Bonding
Representations Inventory (BRI)
Cynthia J. Luxford, luxforcj@miamioh.edu, Stacey Lowery Bretz.Department of
Chemistry and Biochemistry, Miami University, Oxford, OH 45056, United States
High school teachers and general chemistry instructors use multiple representations
including, Lewis Structures and 3-D manipulatives, to teach the concept of bonding. As
students learn to interpret these representations, misconceptions can develop. The
Bonding Representations Inventory (BRI) was developed to aid teachers in measuring
the prevalence of misconceptions about bonding representations that were detected
through student interviews. The BRI was administered to both AP and Non-AP high
school chemistry students as well as General Chemistry students. The prevalence of

some misconceptions as well as evidence towards the validity and reliability of the data
collected with the BRI will be presented.
CHED 123
Do they bite off more than they can chew? Why do chemistry majors leave?
Jessica M Fautch1, jfautch@ycp.edu, Randi Shedlosky-Shoemaker2. (1) Department
of Physical Sciences, York College of Pennsylvania, York, Pennsylvania 17403, United
States (2) Department of Behavioral Sciences, York College of Pennsylvania, York,
Pennsylvania 17403, United States
In the past decade, undergraduate programs in science, technology, engineering, and
math (STEM) have experienced lower enrollment rates and higher and quicker attrition
rates. In an effort to determine what factors may predict which students persist in the
STEM majors, relative to students who move to other majors, we are conducting a
longitudinal study following chemistry (STEM) and psychology (non-STEM) majors
during their first year of college. This interdisciplinary study is a preliminary investigation
into why students choose to leave STEM majors. Participants complete surveys at three
time points and academic performance is recorded at five time points. Following this
pilot study, the research will be extended to other STEM programs in an effort to be
more inclusive of all STEM majors across campus. Additionally, data collected from the
pilot study may help design interventions for identifying students who struggle in STEM
majors, possibly leading to increased retention college-wide.
CHED 124
Promoting science with K-12 students through southern West Virginia
Joshua H Kim, jkim@wvstateu.edu, Emily M Wood, Micheal W Fultz.Department of
Chemistry, West Virginia State University, Institute, West Virginia 25112, United States
Undergraduate students at WVSU have been incredibly active over the last academic
year enhancing science education throughout the southern West Virginia region. These
actives include working with all age groups in the K-12 public and private schools and
community groups. These students have become Ambassadors for Science and are
mentoring younger students on how to reach into the community. New like science
bowls and sponsoring lab days at elementary schools have been established and older
programs in public education are reinvented with the help of able minds and generous
fundraising activities. New ideas and relentless pursuit of excellence will continue as
long as enhancing science education through hand-on activities is needed.
CHED 125
Study of the traditional science programs through surveys, focus groups, and a
workforce conference

Micheal W Fultz1, mfultz@wvstateu.edu, Gail Mosby2, Frank Vaughan3, Gary


Adams4. (1) Department of Chemistry, West Virginia State University, Institute, West
VIrginia 25112, United States (2) Department of Sociology, West Virginia State
University, Institute, West Virginia 25112, United States (3) Department of Political
Science, West Virginia State University, Institute, West Virginia 25112, United
States (4) Office of Sponsored Programs, West Virginia State University, Institute, West
Virginia 25512, United States
Upon being awarded an NSF-Historically Black College or University (HBCU) grant for a
study on the performance of the College of Natural Sciences and Mathematics the
college performed a multistep process to collect the best information available. This
study included a survey series on current students, prospective students, faculty and
staff on the strengths and weaknesses of the College, new programs and
concentrations that should be offered, career preparation, and community outreach. The
second study was a series of focus groups with all majors individually, faculty, alumni,
and current employers on how we can strengthen the college. The third step was a
workforce conference bringing academia and industry together too better communicate
how we can better work together to strengthen the region. This study will greatly alter
the way the college will recruit, retain, and train students.
CHED 126
Using Panopto to create media for chemistry classes via screen capture
John G. D'Angelo, dangelo@alfred.edu.College of Liberal Arts and Sciences, Division
of Chemistry, Alfred University, Alfred, NY 14802, United States
We have been using the screen capture program Panopto to create various course
adjuvants for organic and general chemistry courses. Among the uses are to create
preparative videos for group work assignments, video-based homework keys and
recording live lectures for archiving. Panopto has also been used to create
deomonstration videos of how to use electronic resources such as chemical drawing
programs and Scifinder Scholar. Preliminary feedback from students and difficulties
encountered will be presented.
CHED 127
Analysis of novices' understanding of events in electrolytic solutions
Juliet A Hamak, juliet.hamak@yahoo.com, Resa M Kelly.Department of Science
Education, San Jose State University, San Jose, CA 95112, United States
A central component of learning general chemistry involves understanding equations
and formulae to solve problems. Often times, students are deemed competent in their
understanding of chemistry concepts when they are able to solve algorithmic problems.
This belief has been challenged by researchers (Kelly et al., 2009; Sirhan, 2007;

Pinarbasi & Canpolat, 2003; Smith & Metz, 1996) who have studied students' difficulties
in making connections between the algorithmic problem solving methods and the
dynamics of chemical reactions. The question is what do students really understand
about the conceptual nature of laboratory activities, and how do they draw connections
to formulae and equations? Prior to learning about precipitation reactions, where
symbolic equation patterns are emphasized, some teaching materials suggest having
students examine the electrolytic behavior of substances to inform students of the
submicroscopic details of substances. The goal of this study was to learn the kinds of
key features and misconceptions first semester general chemistry students portrayed in
their written, drawn and oral descriptions of substances tested for conductivity. Data
collection involved student volunteers completing worksheets and performing several
simple microscale solution conductivity activities using aqueous solutions of varying
conductivity. The students were observed and interviewed while performing the
demonstrations to gain insight into their understanding and ability to make connections
between the macroscopic (visible to the naked eye) and submicroscopic (atomic level)
aspects of the laboratory activities. Insights from this study, including implications for
teaching and animation design will be shared.
CHED 128
Counterfeit drugs: Teaching three organic chemistry laboratory techniques using
a two week scenario
David Soulsby, david_soulsby@redlands.edu.Department of Chemistry, University of
Redlands, Redlands, CA 92374, United States
Two thematically linked discovery-based first semester organic chemistry laboratory
experiments have been developed that introduce extraction, crystallization, and melting
point using a counterfeit drug scenario. In the first week students use filtration and acidbase extractions to separate their possible counterfeit drug into three separate
compounds. At this stage a simple chemical test establishes the identity of one of the
compounds. In the second week of the experiment students crystallize the remaining
compounds and use melting point to determine their identities from a list of possible
candidates. Each student then determines whether they have analyzed a counterfeit or
genuine drug. By integrating this scenario at the beginning of our laboratory sequence
we have found that our students have a better understanding of extraction,
crystallization, and melting point, and are better able to apply these techniques to later
experiments.
CHED 129
Incorporation of liquid chromatography-mass spectrometry into the
undergraduate chemistry curriculum
Kevin H. Bennett, Bennett@hood.edu.Department of Chemistry, Hood College,
Frederick, Maryland 21701, United States

Liquid Chromatography-Mass Spectrometry (LC-MS) instrumentation has been


intergraded into the undergraduate chemistry curriculum at Hood College. The goal of
this work was to improve student understanding of separation and detection methods
through experiments involving a wide range LC-MS techniques. Concept development
experiments in our lower-level classes provided students a foundation of separation and
detection knowledge. As students progressed through the curriculum they expanded
and reinforced key concepts in increasingly more complex and detailed experiments.
Experiments were developed for General Chemistry, Organic Chemistry, Quantitative
Analysis, Instrumental Analysis, Physical Chemistry, and Biochemistry. Additionally an
experiment was developed for inclusion into the non-science majors College Honors
program. Research projects in the Departments of Biology and Chemistry and Physics
have also been impacted by access to LC-MS instrumentation. Challenges of
integration of complex instrumentation across the curriculum will be discussed.
CHED 130
Visualization of self-assembled monolayer formation on nanoparticle surfaces
A Vasiliev, vasiliev@etsu.edu.Department of Chemistry, East Tennessee State
University, Johnson City, TN 37614, United States
In this work we describe a demonstration procedure to introduce students to chemistry
and physics of metal nanoparticle surfaces, and the behavior of their colloidal
dispersions. This demonstration was designed to visualize modification of nanoparticle
surfaces through changing of optical properties and stability of their dispersions. Bare
silver nanoparticles (AgNPs) demonstrate high tendency to agglomeration in water. In
order to convert their surfaces to hydrophobic and reduce their surface energy, the
nanoparticles were modified by thiolation with 1-octadecanethiol. Due to formed
protective self-assembled monolayer of alkyl groups, capped nanoparticles acquired
high dispersibility in aqueous media. We propose an easy approach to visualize
changes of the surfaces properties of AgNPs by their ability to form colloidal dispersions
in water.
CHED 131
Greenhouse gases capture and storage: Chemistry for clean air
Odette Esam, Aleksey Vasiliev, vasiliev@etsu.edu.Department of Chemistry, East
Tennessee State University, Johnson City, TN 37614, United States
Greenhouse gases from industrial sources in atmosphere contribute to greenhouse
effect leading to climate change. The experiment was developed for visualization of
technology of their sequestration and storage. In the model equipment for carbon
dioxide capture, CO2 was adsorbed on porous materials obtained in our laboratory by
grafting and sol-gel synthesis. By the first method, the materials were prepared by
immobilization of organic trimethoxysilanes containing amino groups on the surface of

porous silica gel. The second method was based on polycondensation of the same
monomers in acidic media in presence of a surfactant. A mixture of CO2 with nitrogen
passed through the reactor filled with an adsorbent at room temperature. Then, the
temperature of the reactor was increased to 120 C, CO2 desorbed from the adsorption
sites and was captured by a barium hydroxide solution. The effectiveness of each
adsorbent was calculated from the mass of precipitated barium carbonate.
CHED 132
WITHDRAWN
CHED 133
Green acetylation of ferrocene using conventional microwave synthesis
Sarah E. Goergen, goer0139@morris.umn.edu, Chase T. Gerold,
gerol013@morris.umn.edu, Ted M. Pappenfus, pappe001@morris.umn.edu.Division of
Science and Mathematics, University of Minnesota, Morris, Morris, MN 56267, United
States
The acetylation of ferrocene is a highly researched topic in the undergraduate
laboratory setting involving a Friedel-Crafts reaction. Previous methods for acetylating
ferrocene use conventional thermal heating or laboratory grade microwave ovens and
Nafion (an expensive polymer). Since microwave synthesis is becoming increasingly
popular in laboratory experiments for their reduced solvent use and quick reaction
times, a practical and inexpensive lab was developed. This method uses a conventional
microwave and a solvent free, one-pot microscale reaction. When compared to previous
methods, this method is more undergraduate-level friendly due to the convenience of
the procedure and availability of the materials. The goal of the experiment was not to
completely acetylate ferrocene, but to have a mixture of ferrocene, acetylferrocene, and
diacetylferrocene. By having a mixture, students are able to purify and characterize their
reaction mixture using numerous techniques, including column chromatography, TLC,
HPLC, GC-MS, FT-IR, and NMR. Using response factors calculated during the
developmental stage, a 1:1:1 ferrocene:acetylferrocene:diacetylferrocene mixture,
students are able to use HPLC to determine the relative amounts of these compounds
in their crude reaction mixture. The process by which acetylferrocene was synthesized
will be integrated into the organic chemistry laboratory curriculum at the University of
Minnesota, Morris.
CHED 134
Quantum interference: How to measure the wavelength of a particle
Joseph M. Brom, jmbrom@stthomas.edu.Chemistry, University of St. Thomas, St.
Paul, MN 55105, United States

We describe a quantum experiment suitable for an upper-division laboratory course in


physical chemistry. The experiment consists of preparing an initial quantum state of a
photon using a laser source, single-slit apparatus. At the detector, students measure the
probability that the photon will pass through the single-slit with momentum component
px = p sin , where p is the momentum and is the scattering angle of the photon. Due
to the fact that the initial quantum state of the photon is a superposition of position
eigenstates, quantum interference effects are directly observed and measured.
Performing a Fourier transform of the photon wavefunction from position space to
momentum space allows the student to measure the so-called wavelength of the
quantum particle, i.e., the photon.
CHED 135
Using a guided inquiry and experimental approach to teaching buffers in general
chemistry
Teresa L. Longin, teresa_longin@redlands.edu.Department of Chemistry, University of
Redlands, Redlands, CA 92373-0999, United States
Buffers are important in chemistry, biology, and environmental studies. Understanding
what buffers do and why, how to design and prepare buffers, and the limits on buffering
capacity are vital concepts. In this approach, a guided inquiry activity leads students
through a theoretical understanding of buffers and ends with students designing a buffer
system to
achieve a specific pH. This segues into a lab experiment in which the students use their
design to prepare and adjust a buffer solution to the desired pH. They add aliquots of
strong acid or base to their buffer while monitoring pH to directly determine the buffering
capacity of their system. The combination of guided inquiry and laboratory experiment
engages the students in learning the fundamentals of buffers and provides them with
hands-on experience in creating and testing buffers, reinforcing the concepts.
CHED 136
Cost-effective titration instrumentation for the chemistry laboratory using
inexpensive open-source microcontrollers
An-Phong Le, ale@flsouthern.edu, Jonathan Smith.Department of Chemistry and
Physics, Florida Southern College, Lakeland, Florida 33801, United States
Computer-interfaced instrumentation is commonplace in research laboratories, but their
integration into high school and undergraduate laboratories can be costly (putting
further strain on already tight budgets). The recent availability of inexpensive
microcontrollers presents opportunities to develop this instrumentation in-house at a
fraction of the financial cost of commercially available alternatives, but this comes at a
cost of time and so-called sweat equity. To this end, we are interested in developing
and distributing plans for inexpensive computer-based instruments for the instructional

laboratory. As a demonstration, we have interfaced a standard pH electrode and a


homebuilt infrared drop counter to an ArduinoTM microcontroller to create a data logger
capable of recording both titrant delivered and solution pH in real-time. These sensors
can be assembled by students, and the adaptation and improvement of these devices
could be an exciting enrichment activity for students interested in electronics or as
projects for industrial arts classes.
CHED 137
Microbial secondary metabolism in the biochemistry teaching lab
Tanya L. Schneider, tschneid@conncoll.edu.Department of Chemistry, Connecticut
College, New London, CT 06320, United States
A semester-long project-based series of laboratory experiments was developed in order
to engage students in the second semester of introductory biochemistry. The lab project
centered on characterizing microbial enzymes important for the biosynthesis of clinically
used secondary metabolites, therefore linking the lab experience to the overall course
focus on metabolism. Students were able to make choices and develop portions of the
project, and learned current techniques such as site directed mutagenesis, affinity
purification of proteins, and enzyme activity assays. The class responded favorably to
the project topic, understanding that they were investigating novel areas of inquiry and
investing more in their work than when assigned more formulaic lab experiments.
CHED 138
Linking chemistry and biology courses through research on anticancer
ruthenium complexes
Laura K Stultz1, lstultz@bsc.edu, Pamela K Hanson2. (1) Department of Chemistry,
Birmingham-Southern College, Birmingham, AL 35254, United States (2) Department
of Biology, Birmingham-Southern College, Birmingham, AL 35254, United States
Numerous studies have shown that undergraduate research significantly enhances a
student's educational experience. Here we describe an NSF-funded project aimed at
integrating research into introductory and upper-level chemistry and biology courses at
Birmingham-Southern College. Specifically, undergraduates in a 100-level chemistry
course synthesize anticancer ruthenium complexes and characterize the stability of
these drugs under a variety of experimental conditions, such as variable pH,
temperature, and ion concentration. Students in a 100-level cell and molecular biology
course then use budding yeast as a model organism to quantify the mutagenicity and
toxicity of these drugs under similar conditions. Results from these introductory courses
will shape the experimental design process for upper level biology and chemistry
students who will conduct phenomic screens, measure drug uptake, and analyze drugDNA interactions. We anticipate that this approach to STEM teaching and learning will

lead to a measurable improvement in the ability of students to articulate crossdisciplinary concepts.


CHED 139
Rearrangement reactions of epoxides derived from (R)-pulegone in an advanced
organic laboratory
Larry G. French, lfrench@stlawu.edu.Department of Chemistry, St. Lawrence
University, Canton, NY 13617, United States
Diastereoisomeric epoxides are prepared from (R)-pulegone, isolated from pennyroyal
earlier in the course, via reaction with hydrogen peroxide under basic conditions.
Students then explore two rearrangement reactions of these epoxides; one catalyzed by
a protic acid and the other by a Lewis acid, and determine the major product(s) from
each reaction. The p-toluene sulfonic acid mediated process affords predominately 2hydroxy-5-methyl-2-(1-methylethenyl)-cyclohexanone as a mixture of two
diastereoisomers. Treatment with boron triflouride etherate affords a single product,
(5R)-2,2,5-trimethyl-1,3-cycloheptadione, in high yield.

CHED 140
Photographic evidence for the mechanism and regiochemistry of Markovnikov
and anti-Markovnikov additions of hydrogen bromide to alkenes
Jesse E. Pulido1, jpuli004@fiu.edu, David A. Becker1, Jonathan C.K. Quirke2, J. Martin.
E. Quirke1. (1) Department of Chemistry and Biochemistry, Florida International
University, Miami, Florida 33199, United States (2) Department of Chemistry and
Biochemistry, Oberlin College, Oberlin, Ohio 44074, United States
This is part of an ongoing project to provide photographic evidence for the
outcome/mechanisms of most core organic chemistry reactions. 11-Undecenoic acid
was used to probe anti-Markovnikov reactions with colorful evidence for radicals
obtained using an azulenyl nitrone radical trap prior to addition of HBr. After adding
gaseous HBr to the substrate in the presence of benzoyl peroxide, the product was
isolated and characterized as the expected 11-bromoundecanoic acid. Photographic
evidence for the product was obtained by melting point, positive Finkelstein test and a
negative test with ethanolic AgNO3. Challenges in obtaining the Markovnikov adduct are
discussed. For Markovnikov addition, 2-ethyl-1-butene reacted with gaseous HBr to
form 2-bromo-2-ethylbutane. Photographic evidence was obtained by boiling point,
negative Finkelstein test and formation of a precipitate with ethanolic AgNO3.

Challenges of obtaining the anti-Markovnikov product by repeating the reaction in the


presence of peroxide are discussed. Pedagogical benefits of the work are described.
CHED 141
Exploring electrolytic products of water for the quantitative analysis of
supplement tablets
Christopher J Scanlon, scanlon_christopher@columbusstate.edu, Rajeev B
Dabke.Chemistry, Columbus State University, Columbus, GA 31904, United States
An undergraduate experiment for the analysis of vitamin C in a commercial supplement
tablet is presented. In this experiment, we constructed an electrolysis cell.
Electrolytically produced I2(aq) oxidized ascorbic acid to dehydroascorbic acid. Starch
was used as a visible indicator to detect the end point of the titration. A measured
volume of potassium hydrogen phthalate (KHP) was added to the cathode
compartment. Electrolytically generated OH-(aq) neutralized KHP. Phenopthhalein was
used as a visual indicator. Electrolysis process was continued until corresponding end
point is reached in both compartments. From the amount of KHP added to the cathode
compartment, the moles of OH-(aq) and moles of I2(aq) generated in the anode
compartment were determined. From the stoichiometric relations, moles of ascorbic
acid in a supplement tablet were quantified. Detailed experimental procedure,
construction of the electrolysis cell, and results will be presented.
CHED 142
WITHDRAWN
CHED 143
Evaluating the evidence: Determining the course of a Diels-Alder reaction using
visible spectroscopy
Jonathan Rhoad, jrhoad1@missouriwestern.edu.Department of Chemistry, Missouri
Western State University, Saint Joseph, MO 64507, United States
An essential skill for chemists is analyzing evidence to determine the outcome of the
reaction. Too often our teaching lab experiments predict for the students what that
evidence should look like, and the students can determine did I get the right answer?
In this experiment students react p-benzoquinone with cyclopentadiene. The visible
absorbance of the reaction at several wavelengths is observed using a Microlab. The
students are then asked to determine what reactions are occurring.
CHED 144
Study of the methyl formate decomposition

Hafed A Bascal, bascal@findlay.edu.Chemistry, The University of Findlay, Findlay,


Ohio 45840, United StatesChemistry, The University of Findlay, Findlay, Ohio 45840,
United States
The thermodynamic data of oxygenated species, such as methyl formate, are not as
well studied as those of standard hydrocarbon fuels. However, these data are of
essential in the development of chemical kinetic models, particularly in the combustion
of oxygenated fuels. As most of the available rate parameters are derived from the
study of conventional hydrocarbon fuels. Moreover, oxygenated fuels can exhibit
unfamiliar bond dissociation energies, especially these bonds that are in close proximity
to the electronegative oxygen atoms. In this work calculated thermodynamics data of
the major species in the decomposition of Methyl Formate will be presented.
CHED 145
Incorporating nanotechnology based laboratory experiments into first semester
general chemistry
David S Heroux, david.heroux@maine.edu, Benjamin Murphy.Chemistry, Univ. of
Maine at Farmington, Farmington, ME 04938, United States
Many colleges and universities are now implementing an Atoms-First methodology to
first year chemistry instruction. This change provides a great opportunity to incorporate
nanotechnology-based experiments. The use of nanotechnology-based laboratories
addresses two issues. First, since Atoms-First teaching constitutes building upwards
from electrons, to atoms, to molecules and then to reactions, many traditional, early
first-semester labs are best used later in the semester. This is not the case with many
nanotechnology-based experiments, which can be understood without thorough
exposure to general chemistry topics. Secondly, nano-based experiments introduce
students to exciting and modern applications of chemistry in ways not typically
illustrated in traditional early semester labs. Therefore, the use of nanotechnology
based experiments allow the instructor to lay fundamental principles of chemistry in
lecture while students do experiments in lab that builds interest in chemistry. The
experiment presented in this poster could also be adapted to any general chemistry
courses.
CHED 146
Development of an advanced NMR-centered undergraduate interpretive
spectroscopy course
William F. Wacholtz, wacholtz@uwosh.edu, Brant L. Kedrowski,
kedrowsk@uwosh.edu.Department of Chemistry, University of Wisconsin Oshkosh,
Oshkosh, WI 54901, United States

Most senior-level undergraduate interpretive spectroscopy courses offer a curriculum


taught from an organic-centric perspective that covers the three basic spectroscopic
techniques of infrared (IR), gas chromatography-mass spectrometry (GC-MS), and
nuclear magnetic resonance (NMR). Our approach was to team teach an interpretive
spectroscopy course using both an inorganic and organic perspective focusing more on
NMR spectroscopic techniques as the central tool for structural analysis and
identification. Throughout the course inorganic as well as traditional organic examples
were employed in all lecture, laboratory and assessment aspects of the course.
Through an integrated lecture and laboratory experience, which employed online (D2L)
examples of real-world analysis problems, students were introduced to increasingly
more sophisticated spectroscopic techniques. The course was structured such that
technique-based laboratory experiences were interspersed with unknown identificationbased problems. A syllabus and course materials with laboratory experiments will be
presented and made available at the poster session.
CHED 147
iExperiment: Incorporating mobile technologies into the chemistry laboratory
Diana Hoover, hoover@setonhill.edu.Division of Natural and Health Sciences, Seton
Hill University, Greensburg, PA 15601, United States
Technology has revolutionized the collection, recording, and analysis of data. iPads and
laptop computers can be used in the teaching laboratory for recording and plotting
experimental data in real-time. A grant from the Spectroscopy Society of Pittsburgh was
used to purchase portable instruments manufactured by Vernier. These instruments
operate with LoggerPro software that can be installed on student-owned laptops. The
incorporation of portable instrumentation and mobile technology into chemistry
laboratory courses at a private, four-year liberal arts university will be highlighted in this
poster.
CHED 148
Incorporation of a design thinking facilitated activity to improve student
learning in undergraduate chemistry courses
Teresita Munguia, tmunguia@lake.ollusa.edu, Charles A Smith,
c.smith@ollusa.edu.Department of Chemistry, Our Lady of the Lake University, San
Antonio, Texas 78207, United States
Students in both advanced and introductory chemistry courses at Our Lady of the Lake
University performed an activity assimilated from Design Thinking in order to
sequester hurdles which hinder their learning in an OLLU Chemistry course. In the
activity students began by gaining empathy by interviewing another student in the class.
The paired students defined and identified hurdles that prevented academic success in
their chemistry course. Students conceived multiple solutions and presented their

solutions or prototypes to the class. Favorite prototypes were then incorporated into the
course the following semester.
CHED 149
Simple continuously extracting steam distillation apparatus for the organic
laboratory
Karl P. Peterson, karl.peterson@uwrf.edu, Ross Jilk.Department of Chemistry,
University of Wisconsin-River Falls, River Falls, WI 54022, United States
A simple and efficient apparatus for steam distillation that is based on an inexpensive
modification to a standard fractional distillation apparatus and a separatory funnel has
been developed. The apparatus has been successfully used to isolate essential oils
from three natural sources. Eugenol has been isolated from ground cloves as part of a
multi-week project in our freshman organic chemistry laboratory course. Students
isolate the essential oil by steam distillation, analyze the oil using thin-layer
chromatography, separate the components of the oil by acid-base extraction, evaluate
the antibacterial activity of the crude oil and the separated components using a KirbyBauer assay, and then characterize that antibacterial component (eugenol) using GCMS, IR and 1H NMR. Additionally, we have isolated cinnamaldehyde from ground
cinnamon and anethole from ground anise seeds. In each case the essential oil is
isolated in a form that is pure enough to allow for characterization by GC-MS, IR and 1H
NMR. We have used this exercise as a follow-up to the introduction to spectroscopy in
our sophomore organic laboratory course.
CHED 150
Nucleophilic substitution reactions using phosphine nucleophiles: An
introduction to 31P NMR
Paul A Sibbald, psibbald@stetson.edu.Department of Chemistry, Stetson University,
Deland, Florida 32723, United States
The use of nuclear magnetic resonance spectroscopy (NMR) to monitor reactant to
product ratios is a commonly used technique in modern synthetic chemistry. However
this approach is not often utilized when introducing nucleophilic substitution reactions in
undergraduate labs as these reactions are traditionally taught prior to discussing
modern spectroscopy techniques such as NMR. This limits an instructor's ability to
illustrate important concepts such as relative electrophile and nucleophile reactivity
through quantitative means.
A new undergraduate lab is described using 31P NMR spectroscopy to monitor product
formation for a number of different alkyl halide electrophiles and phosphorus
nucleophiles. Students are able to use reactant to product ratios obtained by simple 31P
NMR to explore the relative reactivates of these compounds.

CHED 151
Student bonding and coordination
Carolina Costa Farris, Carson De-Priest, cmpowelldep@ualr.edu, Lisa Orr,
lmorr@ualr.edu, Andrew Cornell, apcornell@ualr.edu, Jerry Darsey.Department of
Chemistry, University of Arkansas at Little Rock, Little Rock, AR 72204, United States
With the support from the Chemistry Department, the Student Organization of the
American Chemical Society at the University of Arkansas at Little Rock (UALR) has
continued to grow in strength and size around the campus. This year, the goal of the
organization has been to increase student involvement. By continuing with previously
implemented programs, such as the partnership between the university and a local
school, encouraging student involvement with undergraduate research, and providing
free tutoring services, UALR ACS remains as an important chapter of the lives of the
Chemistry majors and minors in Little Rock. With the participation of faculty members
and graduate students, our monthly meetings provide relevant Chemistry topics to
undergraduate students, who enjoy free lunches and networking opportunities during
the meetings. Our organization is also participating in events such as the Color Run, a
national 5km race which supports charitable organizations.
CHED 152
Project-based experiments in the quantitative analysis lab: Determination of the
calcium content in an artifact
Sara E Hubbard, hubbards@obu.edu.Department of Chemistry, Ouachita Baptist
University, Arkadelphia, Arkansas 71998, United States
In the quantitative analysis laboratory, we seek to aid students in the development of
their laboratory skills while also exposing them to real-world topics. This project requires
students to research possible methods for calcium determination and discuss the pros
and cons of each. Each group of students submits a project proposal for the
determination of calcium in an artifact using two methods of analysis. Techniques
include EDTA titration, gravimetric analysis, AA, and UV-Vis absorption. The groups
spend several lab periods performing their analyses, culminating in an oral presentation
of their findings to their classmates and the faculty. This capstone to the quantitative
analysis lab experience allows students to bring their wet and instrumental lab skills
together while learning to compare the effectiveness and efficiency of techniques for a
real-world sample that limits the amount of analyte they can use.
CHED 153
Statistical analysis of the efficacy of online learning in general chemistry at the
University of Washington

Jan Irvahn2, Jacob Parikh1, Andrea Carroll1, Philip J Reid1, Colleen F Craig1,
cfcraig@uw.edu. (1) Department of Chemistry, University of Washington, Seattle,
Washington 98195, United States (2) Department of Statistics, University of
Washington, Seattle, Washington 98195, United States
We present the results of a linear regression of exam scores for students in general
chemistry versus performance in two online learning systems: WebAssign, which
presents problems in a traditional manner, and ALEKS (Assessment and LEarning in
Knowledge Spaces), which is an adaptive, tutorial-based system. Comparisons are
made for students taking the same general chemistry course, taught by the same
instructor, in the same quarter in subsequent years, where WebAssign was used one
year, and ALEKS the next. We find that in WebAssign, a 1 point difference in homework
score corresponded, on average, to a 0.46 point difference in final exam score (95% CI:
0.36, 0.56). In ALEKS, a 1 point difference in homework score corresponded, on
average, to a 1.06 point difference in final exam score (95% CI: 0.98, 1.15). Controlling
for gender and SAT scores did not change the overall conclusion.
CHED 154
Development of a reciprocating college and university speaker series between
local sections in Georgia
Kevin M. Bucholtz, bucholtz_km@mercer.edu.Department of Chemistry, Mercer
University, Macon, GA 31204, United States
An American Chemical Society Local Section Innovative Programs (IPG) grant was
awarded to develop a reciprocating speaker series at the undergraduate colleges and
universities in central and southern Georgia (Local Sections 410, 416, 454). These
three local sections do not have chemistry Ph.D. granting institutions in their section but
are characterized by 12 smaller undergraduate institutions including three Historically
Black Colleges and Universities (HBCUs) and a women's college. Implementation of the
program has resulted in participation by six colleges and universities in three sections
(410, 416, 454). During the spring semester of 2012, a total of ten seminars by six
speakers were given as a result of the program. This program has provided an excellent
opportunity for faculty to interact with other faculty from similar schools and provides
students with a broader exposure to chemical research topics.
CHED 155
Utilizing 31P NMR spectroscopy in undergraduate general chemistry courses as
an early introduction to modern chemical characterization
Richard M. Coulson, John T. York, jyork@stetson.edu.Department of Chemistry,
Stetson University, DeLand, FL 32723, United States

NMR spectroscopy is widely regarded as one of the most important tools in modern
chemistry. However, while many laboratory experiments teach students the details of 1H
and 13C NMR spectroscopy at the sophomore organic chemistry level, few tools exist for
introducing students to this crucial technique at the introductory general chemistry level.
We present here a new laboratory experiment in which first-semester general chemistry
students collect and interpret the 31P NMR spectra of a series of different PR3
compounds (where R = aryl and alkyl substituents). By interpreting and comparing 31P
NMR spectra, students gain insight into important NMR concepts including chemical
shift, peak integration, and the use of internal standards, while avoiding much of the
potential confusion involved in the similar study of 1H NMR spectra. This early
introduction to modern NMR spectroscopy prepares students for the use of the
technique in more advanced ways in subsequent courses.
CHED 156
Establishing new bonds: The ACS-RUM family
Sherry Rivera, sherry.rivera1@upr.edu, Jorge Rulln, jorge.rullan@upr.edu, Natasha
Santos-Piero, natasha.santos@upr.edu, Flix Rodrguez, felix.rodriguez1@upr.edu,
Samantha Gonzlez, samantha.gonzalez@upr.edu, Hctor Ocasio,
hector.ocasio@upr.edu, Orlando Vzquez, orlando.vazquez1@upr.edu, Jamil Silva,
jamil.silva@upr.edu, Diego Navarro, diego.navarro@upr.edu, Nilka Rivera,
nilka.rivera1@upr.edu.Department of Chemistry, University of Puerto Rico, Mayaguez,
Puerto Rico
The American Chemical Society has been in our Campus since 1954, making this year
its 58th anniversary. Since then, we have been helping our members develop their
academic and professional skills. This year we have taken the unification of the chapter,
which has more than 120 members, as our mission. We do so through a series of
activities involving chemistry and its different faces and increasing the participation of
every member, not only in the activities, but also in their planning and organization.
Those include, but are not limited to, conferences, workshops, the National Chemistry
Week, new members Initiation Ceremony, school demonstrations, charities and social
activities. Doing all these activities we all work together as a big family. Throughout the
year, we have seen the promising development and unification of the members, forming
the family we have sought for.
CHED 157
Optimizing trade-offs: The integrated lecture-laboratory in instrumental analysis
Nolan T Flynn, nflynn@wellesley.edu.Department of Chemistry, Wellesley College,
Wellesley, Massachusetts 02481, United States
Instrumental analysis courses enable students to gain an understanding of instruments
used to probe chemical systems. These courses often provide a detailed understanding

of the underlying principles of electronics and circuitry, data acquisition and processing,
and relevant figures of merit while working with a variety of instruments. Many of the
skills and much of the content presented in the instrumental analysis class is, by its very
nature, hands on. However, the traditional format of separate lectures and laboratories
makes maximizing time for these experiences challenging. To mitigate this difficulty, we
have used the integrated lecture/lab format, blending hands on activities, including
those akin to lab experiments, with lecture/discussion. Using two 3 hour blocks per
week has provided ample opportunity for active student learning. We will present salient
outcomes for both instructor and students.
CHED 158
Restructuring research: Balancing individuality with the need for assessment and
structure
Jeffrey J Bodwin, bodwin@mnstate.edu.Department of Chemistry, Minnesota State
University Moorhead, Moorhead, Minnesota 56563, United States
Mentored undergraduate research can be an immensely enriching aspect of a student's
education and development as a chemist, scientist, and positive member of society. We
are in the midst of a 2 year process by which we are re-structuring our undergraduate
research structure and course format to provide a more consistent experience for our
students while still maintaining the academic & intellectual freedom of our faculty and
students to pursue research interests that vary across the full range of chemistry
disciplines. Our previous model was a single catch-all class for research; we are
moving to a 2-3 course sequence that will standardize some aspects of undergraduate
research and build a stronger sense of community among our students and faculty.
CHED 159
Thermodynamic study of solute partitioning: A second-semester chemistry
experiment
William Steel, wsteel@ycp.edu.Physical Sciences, York College of Pennsylvania, York,
PA 17405, United States
The partitioning behavior of molecular iodine in liquid-liquid systems composed of water
and an organic solvent has been used in the general chemistry laboratory curriculum to
explore the concepts of thermodynamics. Working in small groups, students use UV-vis
spectroscopy to observe and quantify the iodine partitioning in several systems (in the
form [I2]org/[I2]aq), each of which begins with a different concentration of dissolved iodine.
Further, each group conducts their work at a unique temperature. Compiling and
analyzing the class' temperature-dependent data allows students to calculate the
enthalpy and entropy changes that accompany the movement of molecular iodine
across the liquid-liquid interface. Optional features of the experiment include
comparison to thermodynamic values calculated from molecular modeling programs

and utilization of different liquid-liquid interfaces to observe the effect of the organic
solvent on the resulting behavior.
CHED 160
What are the core chemistry concepts?
T. Wade Killingsworth, twkillingsworth@csuchico.edu.Department of Chemistry and
Biochemistry, California State University Chico, Chico, CA 95929-0210, United States
What are the most valuable, fundamental, deep, central chemistry concepts? A review
of some publications on this topic will be presented. A proposed answer to the above
question will be given in the form of a list and a map. Issues with and uses of the list
and map will be discussed.
CHED 161
Power of affective factors (self-efficacy, motivation, and gender) to predict
chemistry achievement with the benefits of knowledge surveys on metacognition
level
Xin Wu1, xwu9@tigers.lsu.edu, Elzbieta Cook2. (1) College of Education, Louisiana
State University, Baton Rouge, LA 70803, United States (2) Department of Chemistry,
Louisiana State University, Baton Rouge, LA 70803, United States
Self-efficacy, gender, and motivation are subjective predictors of students' academic
achievement. Self-assessment prompted by knowledge surveys involves
metacognition,i.e., students' awareness of how they learn. Knowledge surveys can be
used to measure changes in students' achievement level and to assist students in
content review and inspire reflection on one's ability to learn. In this work, we combine
the above predictors into the survey to determine whether achievement in general
chemistry can be forseen. Our research was conducted on 700 students enrolled in
General Chemistry I classes (Chemistry for science majors) at Louisiana State
University. The online survey was administered during the last week of classes. Data
were analyzed via descriptives, correlation, linear and multiple regression statistical
analyses with the correlation of grades on Exam 1 and the final exam. The three
predictors are ranked in terms of their significance in predicting achievement in
chemistry.
CHED 162
Physical chemistry lab experiment: Silver nanoparticles influence on the
fluorescent properties of ruthenium(II) tris(bipyridine) chloride
Timothy R Brewer, tbrewer@emich.edu.Chemistry, Eastern Michigan University,
Ypsilanti, Mi 48197, United States

A physical chemistry laboratory was designed to synthesize various sizes of silver


nanoparticles and study their effects on the fluorescence of the dye ruthenium(II)
tris(bipyridine) chloride. Nanoparticles were synthesized in the size range from 10 to 50
nm using previously published methods. The fluorescent quenching effect of different
sizes of nanoparticles was investigated through the use of a Stern-Volmer plot of
fluorescence intensity versus concentration of nanoparticle. Experimental results
indicated a size-dependent quenching constant with larger nanoparticles exhibiting a
larger quenching rate constant. The other significant experimental result was that for a
constant concentration of nanoparticles, the fraction of dye absorbed on larger
nanoparticles increased as the size of the nanoparticles increased. These results can
be attributed to the nanoparticle's surface area.
CHED 163
Kinetics of reaction of potassium hydroxide with 2,6-bis(3-bromobenzylidene)
cyclohexanone in 50% acetonitrile - 50% water
Nicole Berry, naberry@csupomona.edu, Eric Reinheimer.Chemistry, Cal Poly Pomona,
Pomona, California 91768, United States
The current interest in the synthesis of ,-unsaturated dibenzylidene ketones such as
(2E, 6E)-2,6-bis(3-bromobenzylidene)cyclohexanone 1 is their antitumor properties.
Although there is sufficient literature supporting these properties, there are a limited
number of reactivity studies of such compounds. The goal of this project focuses on
kinetic studies of 1 . Kinetic data will be collected using UV-Vis spectroscopy which will
follow the reaction of 1 with varying concentrations of potassium hydroxide solutions in
aqueous acetonitrile to determine the reactivity of the -carbon. Preliminary kinetic
results will be presented.
CHED 164
Expanding knowledge of chemistry at Roger Williams University and the
surrounding community
Christina Fontana, cfontana357@g.rwu.edu, Courtney Dennis,
cdennis357@g.rwu.edu, Stephen O'Shea, Clifford Murphy.Department of Chemistry,
Roger Williams University, Bristol, Rhode Island 02809, United States
Roger Williams University Student Affiliates began the academic year with a schoolwide exhibition of homemade liquid nitrogen ice cream to garner student interest in
chemistry and the RWU ACS affiliate chapter as a social outlet. The affiliates attended
RI ACS local section fall meeting at which Dr. John P. Jasper spoke about industrial
batch auditing and process patent protection. As part of the group's effort to promote
chemistry, at RWU late night programming Roger After Dark we presented chemistry
demonstrations; elephant tooth paste, super conductor, flame test. Additionally the
RWU ACS chapter produced a week long mural display to educate students on sources

of renewable energy through chemistry. We have extended our outreach activities to


include performing chemistry demonstrations at local high schools students via in-class
demonstrations focusing on green chemistry such as a looking into phosphate versus
non-phosphate cleaning products.
CHED 165
Particle in a box: A layered approach for elementary through undergraduate
students
Mindy J Wurtz, mindy.wurtz@centralhts.net, Alyx S Frantzen.Department of Chemistry,
Stephen F Austin State University, Nacogdoches, Texas 75965, United States
Laboratory activities are central to educating students about science. Because science
is something students do rather than something students watch or read about, an
emphasis has been placed upon the amount of time students spend doing laboratory
activities in elementary and secondary science classes. In spite of this, many
undergraduate students taking freshman chemistry continue to be ill prepared for the
requirements of laboratory work in this setting. In this vein, a traditional undergraduate
physical chemistry laboratory, the particle-in-a-box, has been modified using Vernier
LabQuest data acquisition devices for the instruction of students in elementary grades
through general chemistry and physical chemistry courses in college. The resulting
layering of both the concepts involved and the laboratory equipment used as the activity
transitions from elementary school through college provides students many
opportunities to gain the necessary experience needed for successful work in the
college laboratory.
CHED 166
Regulated expression of green fluorescent protein in Escherichia coli: An
advanced biochemistry lab
Steven J Cok, scok@framingham.edu.Department of Chemistry and Food Science,
Framingham State University, Framingham, MA 01701, United States
The advanced biochemistry course at Framingham State University includes an
experiment on regulation of gene expression. In order to enhance the students'
understanding of regulation of gene expression and promote student driven
experimental design, we have used the pGlo gene expression vector from BioRad to
evaluate regulation of the arabinose operon by various carbohydrate sources. The gene
encoding green fluorescent protein(GFP) was under the control of the arabinose
operon. Student designed experiments were generated to measure increased
expression of GFP by arabinose, determine the stereospecificty of regulation and test
whether other common sugars affected gene expression. Extensions of this laboratory
exercise included testing repression of GFP expression by glucose in a concentration

dependent manner. Evaluation of student success and potential pitfalls will be


presented.
CHED 167
SCIENCountErs: Teaching and learning science at the local boys and girls clubs
Elvin A. Morales, eamorales@wisc.edu, M. Francisca Jofre, John W. Moore, Andrew
E. Greenberg.Department of Chemistry, University of Wisconsin: Madison, Madison,
Wisconsin 53705, United States
The SCIENCountErs outreach program is organized and run between the Institute for
Chemical Education (ICE) and the Boys and Girls Clubs (B&GC). The program was
established in 2005 in collaboration with the UWMadison Nanoscale Science and
Engineering Center (NSEC). The aim of SCIENCountErs is to inspire and excite a
diverse audience of future scientists and engineers. These goals are achieved by
presenting hands-on science and engineering activities, using a guided-inquiry
approach. This presentation will go over the program's goals, pedagogical model,
impact on the community, and plans for statewide and nationwide expansion.
CHED 168
Introducing quality assurance practices in the analytical chemistry instructional
laboratory
Sharyn Miller, sem352@psu.edu, Dan Sykes.Forenisc Science Program and
Department of Chemistry, The Pennsylvania State University, University Park,
Pennsylvania 16802, United States
Quality assurance is an important routine practice in industry-oriented environmental
and toxicology labs. In academia, analytical chemistry curricula often provide a cursory
overview of such practices in lecture and even less exposure in the laboratory. A
laboratory experiment was developed around the analysis and quantitation of synthetic
cannabinoids in herbal incense products using GC-MS which introduces students to the
theory and practial application of quality assurance as practiced in industry. The
experiment employs external and internal standards for quantitation and the use of
check, performance, recovery and surrogate standards for method validation.
CHED 169
Implementation of a framework for effective chemistry demonstrations
Jerome E Haky1, hakyj@fau.edu, Donna Chamely-Wiik1, Mari Heghinian1, Deborah
Louda2, Nancy Romance3. (1) Department of Chemistry and Biochemistry, Florida
Atlantic University, Boca Raton, Florida 33431, United States (2) College of Medicine,
Florida Atlantic University, Boca Raton, Florida 33431, United States (3) Department of

Teaching and Learning, Florida Atlantic University, Boca Raton, Florida 33431, United
States
As part of a National Science Foundation's GK-12 program that enables graduate
students in science, technology, engineering and mathematics (STEM) to interact with
students and teachers in K-12 science classes, we have developed a framework for
creating pedagogically sound Chemistry demonstrations that allows for easy
implementation and flexibility. This SQER3 framework, Survey, Question, Experiment,
Recite, Reflect and Review, is an interactive, question-driven model that draws clear
parallels to actual science practices. This approach also enables students to extend
their investigations through cyclical rounds of additional questions and experiments. We
have adapted several conventional demonstrations to the SQER3 framework.
Preliminary results in high school classes indicate that utilizing this model is effective in
enhancing student learning of chemistry concepts and principles.
CHED 170
Kinetic vs. thermodynamic control: Slow movement to a new paradigm
David Oostendorp, david.oostendorp@loras.edu, Adam Moser.Division of Molecular
and Life Sciences, Loras College, Dubuque, IOWA 52001, United States
Organic Chemistry textbooks have long used the addition of HBr to 1,3-butadiene as a
classic example of kinetic vs. thermodynamic control. At high temperatures the
thermodynamically favorable 1,4-addition product predominates. At low temperatures,
the less stable 1,2-addition product predominates. The traditional explanation for this is
that the activation energy of the 1,2-addition is lower, thus its rate is faster. Some texts,
citing a 1979 experiment by Eric Nordlander, are stating that the real reason is what is
being called a proximity effect. We are currently charting and will report on the
movement towards this explanation in textbooks. We are using experimental and
computational methods to further refine the role the two explanations play in the
reaction.
CHED 171
Integrating electronic data collection and web-based storage into a protein
denaturation experiment in the biochemistry teaching laboratory
Scott M Tremain, tremaism@uc.edu.Department of Chemistry, University of Cincinnati,
Blue Ash College, Blue Ash, OH 45236, United States
A vital component in the biochemistry laboratory curriculum is absorbance and
fluorescence spectrophotometry. Our traditional biochemistry experiments utilize singlewavelength spectrophotometers that are not capable of collecting absorbance spectra
data efficiently. Furthermore, a fluorimeter is not readily available. The MeasureNet
electronic data collection system consists of a central computer connected to a network

of 15 student workstations. Each workstation (outfitted with various probeware) records


real-time data that can be saved and uploaded to a web-based storage site accessible
to the student from anywhere. This project describes the integration of MeasureNet into
an experiment isolating the fluorescent protein phycocyanin. A dual-beam colorimeter
probe is used to monitor the change in fluorescence upon denaturation of phycocyanin.
CHED 172
Crime scene science: Lab driven liberal arts and science class
Shawn G Garrett, shawn.garrett@mnstate.edu.Department of Chemistry, Minnesota
State University Moorhead, Moorhead, Minnesota 56563, United States
Forensic science is a multidisciplinary field applying the basic sciences of physics,
biology and especially chemistry to legal matters. Interest in crime scene investigations
has led to many forensics high school courses and upper division courses for advanced
college science students. However, at Minnesota State University Moorhead we have
targeted college undergraduate students in offering a course in crime scene science.
This laboratory driven class requires students to conduct forensic evidence analyses
while learning the underlying science. This course is for non-science majors and
assumes limited science and math backgrounds. All laboratories are presented as
unsolved crimes; the labs activities include physical, microscopic and chemical analyses
of hair and fiber, document analyses, fingerprint and impression development, DNA
profiling and blood typing, glass and soil evidence analyses, identification of possible
drug evidence and a final crime scene investigation involving evidence collection at a
simulated crime scene, laboratory analysis of the evidence and a crime scene report.
Basic science topics include measurements, use of proper standards and controls in
experimental design, physical and chemical properties and changes, classes of
chemical reactions, biological molecules and basic biochemistry. The course outline,
more details on activities and resources, and how the basic science and forensic
science have been combined to fulfill science transfer requirements will be presented.
Initial student reactions will be shared, along with ideas for future course modifications
and assessments.
CHED 173
Project iPad: Integrating iPads into organic chemistry
G. Robert Shelton, sheltong@apsu.edu.Department of Chemistry, Austin Peay State
University, Clarksville, TN 37044, United States
This project aims to advance and promote general conceptual understanding in organic
chemistry using different methods aided by iPads and Apps. Preliminary ideas are
currently being field-tested by the PI's this academic year. Some units are a self guided
exploration of a topic, while others are a larger guided inquiry where small group results
are shared instantaneously with the classroom. Each chapter or unit within a semester

of organic chemistry will ultimately have either a small group and/or classroom
intervention centered around the iPad. The introduction of Apple's iPad and its ability to
sustain and promote student inquiry and active learning will be discussed.
CHED 174
Fostering an induction into authentic research in the freshman/sophomore
sequence
Matthew L Miller1, Matt.Miller@sdstate.edu, David P Cartrette1, Kenneth Emo2. (1)
Department of Chemistry & Biochemistry, South Dakota State University, Brookings,
South Dakota 57007, United States (2) Departmen of Education, University of
Minnesota-Morris, Morris, Minnesota 56267, United States
This two-year NSF funded (1044419) project created a model of laboratory instruction
with the goal of increasing student interest in early involvement in research within the
department of chemistry and biochemistry. The primary methods to create interest
included using advanced instrumentation, inquiry methods, and collaboration. The
implementation of this plan was unique in that students from two different chemistry
laboratory courses (first- and second-year) were enrolled simultaneously in the same
laboratory period. Activities were implemented requiring students from two different
courses to work collaboratively toward answering a specific question. We will present
how selected activities were integrated across both courses. Data were collected via
surveys, observations, and a critical thinking examination (NSF CCLI) and analyzed to
identify changes in student interest in research. We will present initial findings from the
data to assess the role played by this model of instruction on increased research
interest.
CHED 175
2012 ACS Global Innovation Grant Award: Computational Chemistry Teaching
and Research Laboratory at Kenyatta University, Nairobi, Kenya
Lewis Whitehead1, lewis.whitehead@novartis.com, Heather Burks1, Brigitta Tadmor2,
Nina Dudnik3, Evans Ogwagwa Changamu4. (1) Global Discovery Chemistry, Novartis
Institutes for Biomedical Research, Cambridge, Massachusetts 02139, United
States (2) Education, Diversity & Inclusion, Novartis Institutes for Biomedical Research,
Cambridge, Massachusetts 02139, United States (3) Seeding Labs, Boston,
Massachusetts, United States (4) Department of Chemistry, Kenyatta University,
Nairobi, Kenya
At the 2012 spring ACS in San Diego the International Activities Committee announced
the approval of a plan to award Global Innovation Grants to ACS technical divisions. We
have been awarded the first Global Innovation Grant and present a progress report on
our activities.

CHED 176
Augmenting in-lab demonstration with QR codes for smartphones
David Collins, david.collins@cortland.edu, Timothy Lee.Department of Chemistry,
SUNY Cortland, Cortland, NY 13045, United States
Surveys and anecdotal evidence suggest that smartphone usage among college
students approaches 75%; implementing this technology into the instructional laboratory
can leverage much of the benefits (on-demand information and tools) with lesser impact
from the distractions they present. We present a set of QR codes which can be
incorporated into handouts or lab manuals. These QR codes provide students with
immediate access via smartphone app to short demonstration videos illustrating
common general chemistry laboratory techniques.
CHED 177
Early instruction in NMR through improved coordination of laboratory and lecture
topics in introductory Organic Chemistry
William E. Brenzovich Jr., brenzovich@roanoke.edu, Vernon Miller, W. Gary Hollis
Jr..Department of Chemistry, Roanoke College, Salem, VA 24153, United States
With access to a 400 MHz NMR spectrometer with an autosampler, Roanoke College
has been actively pursuing opportunities to further integrate the use of NMR
spectroscopy in the introductory organic lab. We strongly believe that NMR should be
introduced early in the lab program to maximize hands-on experience, but have found
that students lack the required comprehension of organic structure to fully understand
the technique in the early experiments . To realize our goals, we have recently explored
and implemented several models to better integrate the teaching of NMR concepts in
lab and lecture to allow for early instructional use of NMR in the organic lab, including
earlier instruction on NMR concepts in lecture and a less rigorous use of NMR in early
lab experiments. We will present an overview of the recent modifications made to the
organic curriculum, and assess future directions for curricular development.
CHED 178
Institute for Accessible Science: Increasing laboratory independence for students
with disabilities
Greg J. Williams1, willi988@purdue.edu, Bradley S. Duerstock1,2, Susan M.
Mendrysa3, Lisa M Hilliard4, Wilella Burgess4, Loran Carleton Parker4. (1) Weldon
School of Biomedical Engineering, Purdue University, West Lafayette, Indiana 47907,
United States (2) School of Industrial Engineering, Purdue University, West Lafayette,
Indiana 47907, United States (3) Department of Basic Medical Sciences, College of
Veterinary Medicine, Purdue University, West Lafayette, Indiana 47907, United

States (4) Discovery Learning Research Center, Purdue University, West Lafayette,
Indiana 47907, United States
Persons with disabilities are under-represented both in STEM degrees and careers.
Many programs have been established to increase the number of students with
disabilities (SWDs) obtaining STEM degrees on the assumption that this would translate
into their greater representation in the STEM workforce. However, the techniques and
tools which enable them to complete a degree are not necessarily transferrable to the
workplace. For instance, in chemistry lab courses students who are visually impaired
rely on lab partners to conduct most of the experimental work.
The mission of the Institute for Accessible Science (IAS) at Purdue University is to
develop and disseminate methods and technologies which enable SWDs to function
more independently in university laboratories and beyond. This poster will describe
some of IAS's ongoing projects and present case studies of two students with visual
impairments whom the IAS assisted to develop solutions to barriers they encountered in
labs.
CHED 179
Demonstration of chemical and physical principles through group construction of
side by side freshwater and saltwater barometers
Richard W Gregor, rgregor@rollins.edu.Department of Chemistry, Rollins College,
Winter Park, FL 32789, United States
An engaging re-creation of the 17th Century work of Torricelli and von Guericke, where
students use a four story parking garage to build a water barometer from simple
materials, is described. A novel aspect of the experiment is the simultaneous erection of
a saturated sodium chloride barometer. The experiment introduces the following topics:
pressure, density, solubility, boiling point, vacuum, vapor pressure, Dalton's, and
Henry's Laws. The 10.4 m height of the water barometer offers a more easily visualized
comparison to the 8.8 m for the saltwater barometer, than to either a mercury barometer
or values from a weather service. This offers immunity from the difficult systematic
corrections which would otherwise make comparisons frustrating, especially for novices.
The experiment is suitable for students from high school through advanced college
level, depending on the level of sophistication used in analysis. As part of the
experience, we create a video documenting the activity.
CHED 180
Threading flavones through the undergraduate chemistry laboratory curriculum
David M Collard, david.collard@chemistry.gatech.edu, James C. Morris, David L.
Jenson, Mary E. Peek, Stefan A. France.School of Chemistry & Biochemistry, Georgia
Institute of Technology, Atlanta, Georgia 30332-0400, United States

A curriculum thread in which students revisit aspects of a particular topic throughout


the laboratory sequence over the four-year bachelor degree curriculum blurs the
boundaries between traditional divisional laboratories and provides opportunities for
inquiry-based activities and research-based learning. In the Threading Flavones
project (supported by NSF award DUE 1044034) we are developing experiments in
which students prepare a library of compounds and characterize their structure,
chemical properties and biological activity in a series of exercises spread across
organic, analytical, physical and biochemistry laboratory classes. The project is
designed to better integrate learning and create the context, relevance and redundancy
needed to promote student-focused learning goals such as retention of key concepts
throughout the curriculum, critical thinking, development of laboratory and technical
writing skills, and collaborative problem solving. The project includes faculty workshops
to promote collaborative curriculum development and adoption.
CHED 181
Medicinal chemistry research at Texas Tech University Health Sciences Center
School of Pharmacy
Teresa Carlisle, Paul C Trippier, paul.trippier@ttuhsc.edu.Department of
Pharmaceutical Sciences, Texas Tech University Health Sciences Center, School of
Pharmacy, Amarillo, Texas 79106, United States
The Department of Pharmaceutical Sciences at Texas Tech University Health Sciences
Center (TTUHSC) School of Pharmacy in Amarillo is establishing a medicinal chemistry
research concentration. The department seeks to build on internationally renowned
researchers in cancer biology and pharmacology of the blood brain barrier.
Research area concentrations are in the design and evaluation of compounds that
demonstrate activity to combat cancer and explore the tumor microenvironment,
potential therapeutics for central nervous system diseases, and chemical neuroscience
probes.
The acquisition of a new NMR spectrometer will complement the departments HPLC,
and LCMS core equipment, providing excellent facilities for synthetic medicinal
chemistry. Newly refurbished laboratories are currently under construction with state of
the art chemical and biological hoods.
We are currently accepting applications for our graduate program in pharmaceutical
sciences. Interested students are encouraged to explore the program website:
www.ttuhsc.edu/sop/graduateprogram. For additional information and questions about
admissions email Teresa.Carlisle@ttuhsc.edu.
CHED 182
Designing quantum dot solids for next-generation solar cells

Matt Law, matt.law@uci.edu.Department of Chemistry, University of California, Irvine,


Irvine, CA 92697-2025, United States
In this talk, I will provide an overview of ongoing efforts to design lead salt quantum dot
(QD) thin film absorbers for next-generation QD photovoltaics, with particular emphasis
on recent accomplishments and future opportunities in this area. Basic requirements for
QD absorber layers include efficient light absorption, charge separation, charge
transport, and long-term stability. I will first discuss several methods used to make
conductive QD films by solution deposition and ligand exchange. Studies of carrier
mobility as a function of basic film parameters such as inter-QD spacing, QD size, and
QD size distribution have led to a better understanding of charge transport within highly
disordered QD films. Efforts to improve carrier mobility by enhancing inter-dot electronic
coupling, passivating surface states, and implementing rudimentary doping will be
highlighted. Engineering the inter-QD matrix to produce QD/inorganic or QD/organic
nanocomposites is introduced as a promising way to optimize coupling, remove surface
states, and achieve long-term environmental stability for high-performance, robust QD
films. To obtain large photocurrent from QD solar cells, it is critical to increase the
minority carrier diffusion length to rival the optical absorption length, possibly by
harnessing band-like transport through extended electronic states. The relative roles of
superlattice order, energy disorder, and surface states in this regard will be
summarized. The talk will conclude with comments on the prospects for controlled
doping and rational p-n junction formation in QD systems.
CHED 183
From scientific discovery to commercial success: How great innovators cross
this chasm and achieve a triple play
Kirk Froggatt, frogg002@umn.edu.Technological Leadership Institute, University of
Minnesota, Minneapolis, MN 55455, United States
Scientific expertise is absolutely necessary, but not sufficient to excel as an innovator
and cross the chasm from lab research to commercial success. In this session we will
explore several principles, tools and practices to supplement your technical expertise
and help you navigate the three C's of innovation: the broader context (the innovation
ecosystem), the capability required for a commercially viable solution (the business
model), and the collaboration practices necessary to execute the business model
successfully. These principles and practices will be illustrated through case studies
where scientific R and D is translated into innovative solutions with triple play results: a
win for the customer, win for the business, and a win for the environment.
CHED 184
Energy and the individual: The artificial leaf

Daniel G. Nocera, nocera@mit.edu.Department of Chemistry, Massachusetts Institute


of Technology, Cambridge, MA 02139-4307, United States
This talk will focus on recent advances in developing sustainable and affordable energy
sources for every individual. An "artificial leaf" that is capable of mimicking
photosynthesis has been developed. In the the presence of sunlight, this leaf splits H2O
into H2 and O2, which can be harnessed by a fuel cell for energy production.
Inexpensive to manufacture and produced from Earth-abundant materials, this artificial
leaf has great potential for commercial applications. The transformation of this chemistry
to a viable business venture will illustrate the unique challenges that solar energy
technologies face in the marketplace.
CHED 185
Providing international and multicultural perspectives for the education of
undergraduate science students
Morton Z. Hoffman, hoffman@bu.edu.Department of Chemistry, Boston University,
Boston, MA 02215, United States
How can science undergraduates gain a global perspective? Although they can enroll
directly in a university in another country, there are a number of serious deterrents, such
as language, prerequisites, and calendar. A study abroad experience is another option,
but science students (especially chemistry majors and pre-medical concentrators) have
historically been extremely underrepresented; they do not believe it can be done within
their seemingly inflexible programs of study, the administrative obstacles appear
daunting, and the faculty are not necessarily supportive of the idea. An alternative is to
have the science courses taught in English at a foreign site. The Boston University
science study abroad programs in Dresden, Germany (since Fall 2006), Grenoble,
France (since Fall 2009), and Madrid, Spain (since Fall 2012) are models that afford a
student the opportunity to study abroad for a full semester as a science major (e.g.,
chemistry, biochemistry, biology, pre-health professions, etc.) while avoiding the
common obstacles.
CHED 186
Overview of Macau's tertiary chemical education
Pong Kau Yuen1, pkyuen@umac.mo, Diana, Cheng Man Lau2. (1) Faculty of Science
and Technology, University of Macau, Macau (2) Faculty of Management and
Administration, Macau University of Science and Technology, Macau
Education and chemistry are important subject areas which have strong impacts on our
life and our future. Chemical education plays a critical role in fostering students' science
literacy and promoting the sustainable society. Currently Macau is undergoing a series
of education reforms. Nevertheless, the Macau's chemical education is rarely discussed

and researched. The purpose of this paper is to review the development of chemical
education at the tertiary level in Macau, analyze the characteristics of chemistry
curriculum and explore the possible reforms in chemical education.
CHED 187
Establishing a cultural network through chemical education
Patricia Morales Bueno1, pmorale@pucp.edu.pe, Carmen Valdez Gauthier2,
cgauthier@flsouthern.edu. (1) Department of Sciences - Chemistry Section, Pontifical
Catholic University of Peru, Lima, Lima, Peru (2) Department of Chemistry, Florida
Southern College, Lakeland, Florida 33813, United States
This paper describes the experiences of two chemical educators who originally met as
undergraduate students in the chemistry program at the Pontifical Catholic University of
Peru (PCUP) in the 1970s and now teach college level chemistry -one in Peru and one
in the United States. The characteristics, strengths and weaknesses of teaching
chemistry in Peru and in the United States will be compared and discussed including
the potential influence of cultural differences on teaching effectiveness. Collaborative
efforts to involve both Peruvian and American students in problem solving exercises
using social networking sites will be discussed. The importance of e-global experiences
for students who are not able to participate in study abroad programs will also be
discussed.
CHED 188
Participation of foreign-educated faculty in undergraduate chemistry education
Santiago Sandi-Urena, ssandi@usf.edu, Matthew Sestilio, Todd Gatlin, Adrian VillaltaCerdas.Department of Chemistry, University of South Florida, Tampa, Florida 33620,
United States
Chemistry faculty demographics have changed considerably over the past three
decades. Although minorities and women continue to be underrepresented in faculty
positions, the proportion of foreign-born professors has increased substantially. The
diversity that this brings is celebrated and in terms of research it pays dividends. It also
gives students access to a global perspective that may be beneficial in their
professional practice. However, in most cases these professors have completed their K16 education in educational systems substantially different from that in the US and the
influence of this unfamiliarity has seldom been discussed. Moreover, chemistry
assistant professors receive little to no instructional training before immersing in
undergraduate education. There is very little work done to investigate the consequences
that unfamiliarity with the system, lack of training, conflict of expectations, cultural and
communication factors and other related aspects may have on foreign-born professors
and undergraduate students' experiences. This presentation intends to present some
data and start a discussion around this topic.

CHED 189
Multicultural perspectives on chemical design
Gabriela A Szteinberg1, gabys912@gmail.com, Steven Cullipher1, Courtney Ngai1,
Hannah Sevian1, Heilen Arce2. (1) Chemistry Department, University of Massachusetts
Boston, Boston, Massachusetts 02125, United States (2) Chemistry Department,
University of Costa Rica, San Pedro, San Jose, Costa Rica
There has been a recent surge of interest in developing learning progressions of central
ideas that can serve as curriculum models and assessment frameworks in educational
settings. The analysis, synthesis, and transformation of chemical substances have
many benefits for modern societies. However, social, political, economic, and
environmental costs and risks need to be taken into account when making decisions
involving the application of chemical design. To explore the role that culture and context
may play in individuals' thinking about chemical design, we have expanded our study of
a learning progression in chemical design with students in an urban university by
including students at a university in Costa Rica. We will present results based on
similarities and differences students from the U.S. and Costa Rica demonstrate when
prompted to think and reason about chemical structure and property relationships, and
the benefits, costs, and risks associated with designing chemical processes.
CHED 190
Who teaches matters: OXIDE's role in advancing multicultural perspectives in
research-active chemistry departments
Shannon Watt, oxide@chemistry.gatech.edu, Rigoberto Hernandez.School of
Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400,
United States
The persistence of undergraduate and graduate students in chemical careers is
influenced daily by the faculty role models who shape their educational and research
environments. While the demographics of the U.S. and student populations are evolving
at ever-accelerating rates, faculty diversity and the academic culture experienced by
individuals from under-represented groups change at a significantly slower pace. In
order to fully utilize our nation's intellectual capacity, it is critical to establish faculty
demographics and educational environments that not only reflect but also embrace the
composition and multi-cultural realities of our society in terms of gender, race-ethnicity,
sexual orientation, and disability status.
The Open Chemistry Collaborative in Diversity Equity (OXIDE) aims to reduce inequities
that have historically led to disproportionate diversity representation on academic
faculties by leading an ongoing national conversation between chairs of leading
doctoral-granting chemistry departments, representatives from diversity communities,

and social scientists with diversity-related expertise. This presentation will discuss
OXIDE's activities, which are driven by:

social science research;


the chairs' and departments' needs and experiences; and
the demographic data from over 75 leading chemistry departments that are
collected annually by OXIDE and published in Chemical and Engineering News.

CHED 191
Introduction to POGIL and The POGIL Project
Rick Moog, rick.moog@fandm.edu.Department of Chemistry, Franklin and Marshall
College, Lancaster, PA 17604, United States
POGIL (Process Oriented Guided Inquiry Learning) is a student-centered, group
learning strategy for teaching chemistry (and other sciences) at all levels. The POGIL
Project (www.pogil.org) is an organization focused on promoting the use of these types
of approaches at both the college and high school levels across the country. This
presentation will introduce the fundamental principles of POGIL, and will describe the
professional development opportunities and curricular materials available from The
POGIL Project.
CHED 192
Process oriented guided inquiry learning (POGIL) in general chemistry: The thrill
of victory and the agony of defeat
Gary D DeBoer, garydeboer@letu.edu.Department of Chemistry and Physics,
LeTourneau University, Longview, TX 75602, United States
Performance and attitudinal outcome measures of the use of POGIL in the general
chemistry classroom are quite varied depending on class size, and student preparation.
Apparent increases in retention were observed when using POGIL versus traditional
lecture in two comparative smaller second semester classes, though class size and
student skill levels were also factors. Attitudinal responses to a non-traditional
classroom approach were positive for the small second semester class. In larger, first
semester classes, performance outcome measures were comparable for POGIL and
lecture; however, attitudinal measures to a POGIL approach were negative. As a result
of these findings, a hybrid approach combining lecture and POGIL activities is now used
in both semesters of general chemistry, with a greater lecture component in the first
semester. Performance outcomes measures for the hybrid approach appear to be
consistent with previous years, and attitudinal responses have been more positive than
either a lecture or a POGIL approach. This presentation will be of interest to any
student, faculty, or administrator interested in classroom pedagogy and retention at the

secondary or tertiary level. Go to <www.letu.edu/people/garydeboer> for more


information on the speaker.
CHED 193
POGIL in introductory organic chemistry: Using electron energies to build
understanding of molecular reactivity
R Daniel Libby, rdlibby@chem.moravian.edu.Chemistry, Moravian College, Bethlehem,
PA 18018, United States
Undergraduate chemistry students learn about electron energies in the context of
atomic structure. However, they next consider electron energies when they deal with
quantum mechanics in physical chemistry. All other energy considerations deal with
overall changes in bulk materials (H or G) for reactions or phase changes. In organic
chemistry students are introduced to stabilities, reactivities or electrons availability
in reactions with no connection to energies of structures. It is not surprising that they
develop little sense of how energies of structures control reactivity. My POGIL approach
to intro organic starts with the atomic energy levels, which are familiar from general
chemistry, and helps students use acid pKa values to judge the relative energies of
electrons in molecules. Students can then readily identify the highest energy electrons
in a reaction system and use them to predict sites of reaction and either relative rates or
relative equilibrium constants for reactions.
CHED 194
POGIL and science writing in an interdisciplinary course on climate change
Charity Lovitt, lovittc@seattleu.edu.Department of Chemistry, Seattle University,
Seattle, WA 98122, United States
An interdisciplinary course on the chemistry and controversy of climate change was
developed for non-science majors. Students entered the course with a variety of
backgrounds in chemistry which made it difficult to pace material. The POGIL method
proved to be a useful tool for this class because strong students in each group could
coach weak students, allowing the instructor to focus on correcting misconceptions in
the class. Students used the POGIL method of Exploration, Model, Application to
understand chemistry topics of spectroscopy, Lewis structures, and stoichiometry while
also using the method to interpret complex graphs on climate change research.
Students learned about the scientific method by exploring data, creating models, and
applying their model to correct misconceptions in climate change. The culminating
project was the creation of a scientific document to train employees at the local public
science center on misconceptions in climate science.
CHED 195

Pilot POGIL (Process Oriented Guided Inquiry Learning) in CHE 115 General
Chemistry I in a HBCU institution
George H Armstrong, garmstrong@tougaloo.edu.Chemistry, Tougaloo College,
Tougaloo, MS 39174, United States
Abstract
Two courses of CHE 115 General Chemistry I were taught simultaneously. One course
was taught using the traditional lecture method and the other course was taught using
the POGIL method. The courses were compared to determine the effectiveness of
POGIL in General Chemistry I. Assessment tools were the American Chemical Society
(ACS) Toledo Chemistry Placement Examination (pre-test), the ACT math scores of
entering Fresh Persons, and the ACS test for General Chemistry I (post-test). Relative
performances in General Chemistry I, percent of students passing with a grade of C in
CHE 115, and comparative success of students in General Chemistry II were used to
determine the success of POGIL. Presently, the pilot has run for three semesters. While
the number of students for each course was too small for statistical analysis, the
following trends seem to be apparent: 1) The success of the POGIL students (pass with
a grade of C or higher) is better, and 2) the POGIL students do as well or better in
General Chemistry II, which is taught with the traditional lecture method.
CHED 196
Developing a robust POGIL model to teach the thermodynamics of biochemical
reactions to nursing students
Diane M. Dean, ddean@usj.edu, Ellen Anderson.Department of Chemistry, University
of Saint Joseph, West Hartford, Connecticut 06117, United States
The inquiry approach to science education has been recommended by the National
Science Foundation (NSF) and the American Association for the Advancement of
Science (AAAS) for several decades. Process-oriented Guided-inquiry Learning
(POGIL) is a pedagogy that was developed to teach introductory chemistry as a
response to the recognized need by NSF and AAAS. It was expanded to biochemistry
for major courses in the last 5 years. Nursing and allied health students constitute a
population that has not benefitted from this pedagogy revolution. Making foundational
coursework relevant to the student through inquiry exercises is critical for retention. The
objectives taught include: describing the thermodynamic reasons for the irreversible
reactions in glycolysis. The model described in this work visually explains the
thermodynamic changes that occur during the ten reactions in glycolysis. Improved
retention will enhance the student's ability to transfer this foundational knowledge to
later coursework and professional practice.
CHED 197

Facilitating chemistry using POGIL and student responders


Susanne M Lewis, smlewis@olivetcollege.edu.Department of Natural and Physical
Science, Olivet College, Olivet, MI 49076, United States
In the author's second year of teaching in a tenure-track position, organic chemistry
lecture was converted to Process Oriented Guided Inquiry Learning (POGIL) using the
published materials for this content area. The rational for changing from traditional
lecture to POGIL will be discussed as well as accounts of successes, frustrations, and
modifications, and how student responders (clickers) are used to manage the class
material.
CHED 198
Computer simulations and guided-inquiry tutorials: The Next Generation Project
Thomas J. Greenbowe1, tgreenbo@iastate.edu, John I. Gelder2, Michael R.
Abraham3. (1) Department of Chemistry, Iowa State University, Ames, IA 50011, United
States (2) Department of Chemistry, Oklahoma State University, Stillwater, OK 74078,
United States (3) Department of Chemistry, The University of Oklahoma, Norman, OK
73019, United States
Computer simulations, if properly integrated into an instructional module, can potentially
provide teachers with a powerful teaching tool. The Next Generation Computer
Simulation Project integrates the use of computer simulations with guided-inquiry
tutorials. "Before", "During", and "After" class activities and tutorials are being used to
help teachers identify topics students find difficult and can help students gain a better
understanding of concepts. One purpose of the tutorials is to help students develop a
model of a system. A model can be used to help students explain and predict behavior
of matter. Using a learning cycle, students can improve their model and understanding
of the chemical concept. Computer simulations can help students structure and to carry
out an experimental design to answer a question. Students can work in groups to
quickly collect, analyze, and graph data. The pooled data and graphs can help students
see a pattern. Instructors can introduce the concept. Students can do a problem
incorporating a higher-level application of the model. Thus, the learning cycle plays a
central role in uniting a computer simulation with a specially designed tutorial. Computer
simulations can also include visualizations of the behavior of matter at the particulate
level. A beta version of an electrochemistry computer simulation will be presented along
with an example of how a computer simulation accompanied by a POGIL-like tutorial
can help students gain a better understanding of electrochemistry.
CHED 199
AP Chemistry 2013 and Beyond incorporates a guided-inquiry approach in the
classroom and in the laboratory

Marian L. DeWane2, mdewane@uci.edu, Thomas J. Greenbowe1. (1) Department of


Chemistry, Iowa State University, Ames, IA 50011, United States (2) Department of
Extension, University of California - Irvine, Irvine, CA 92697, United States
The AP Program has spent several years reviewing and redesigning the AP Chemistry
Curriculum. This new course focuses on student understanding of chemistry while
simultaneously developing students' analytical reasoning and inquiry-based skills. AP
inquiry instruction incorporates any teaching method designed to encourage students to
construct and to discover knowledge with an understanding of how scientists study the
natural world. AP lab investigations align with best practices described in America's Lab
Report, which promotes a student involvement, inquiry-based design. The teacher
edition of the new AP Chemistry lab manual and a special Curriculum Module on
implementing Guided-Inquiry in the Classroom will be available in 2013. This
presentation will outline the content of these two new resources. Similarities and
differences between the AP Chemistry approach and the POGIL/SWH approaches will
be discussed.
CHED 200
Helping students succeed in organic chemistry with peer-evaluated
presentations, study baskets, and social media
Ekaterina N. Kadnikova, KadnikovaE@umkc.edu.Department of Chemistry, University
of Missouri - Kansas City, Kansas City, Missouri 64110, United States
I will share my experiences with Elementary Organic Chemistry, a one-semester
comprehensive course designed for students in the six-year BA/MD program. One of
my goals is to teach future doctors to understand and appreciate the fundamental role
of organic chemistry in modern medicine. Thus, Molecules-in-Medicine unit provides
the students with an overview of pharmaceutical and medicinal chemistry and their role
in drug development. It culminates in student presentations on the organic chemistry of
small-molecule drugs. This unit allows students to discover for themselves how far they
have grown in this course. Peer-reviewing each other's presentations is another unique
experience. Success of this endeavor ignited my interest in further innovations. Study
baskets filled with workbooks are now available for check-out at the library and at the
dorms. Finally, using social media as a teaching tool proved to be a great success. Our
Facebook discussion group has been very popular with students.
CHED 201
Flipped organic chemistry classroom at a small comprehensive college: Organic
chemistry upside down
Jessica M Fautch, jfautch@ycp.edu.Department of Physical Sciences, York College of
Pennsylvania, York, Pennsylvania 17403, United States

The flipped classroom is an approach to teaching that involves active learning while
increasing student responsibility and improving comprehension. The flipped, or inverted,
model takes traditional lecture from in-class to outside the classroom in the form of
online lectures or tutorials. Work traditionally completed as homework is carried out
through engaging group activities and instructor-guided problems during class.
Techniques used to flip an undergraduate organic chemistry course, including vodcast
lectures, electronic homework, and warm-ups, are discussed. In-class discussion and
problem-solving are also investigated as means to facilitate deeper learning of organic
chemistry. Student learning outcomes in a flipped organic chemistry course are
predicted to include efficient problem solving skills and the ability to verbally explain the
material to one's peers. When an inverted classroom model is applied to organic
chemistry, we anticipate increased comprehension and retention of the material, as well
as improved performance on summative assessments (exams).
CHED 202
Reducing lecture and increasing impact in an organic I course: Design and
assessment
Kimberly Cossey, kimberly.cossey@gcsu.edu.Department of Chemistry and Physics,
Georgia College & State University, Milledgeville, GA 31061, United States
Imagine an organic chemistry classroom where instead of listening to a lecture,
students are leading a discussion based off their readings. Imagine students studying,
but instead of making flashcards and lists, they are engaging in complex problems and
devising strategies to complete them. This vision was used to design my current organic
I course. Using backward course design, an organic I course has been restructured so
that rather than lecturing over every concept, the professor helps students to prioritize
concepts, provides problem solving strategies, and fills-in key details as needed. Active
learning strategies (adapted from POGIL and PBL methods) have been used to engage
students in critical thinking and application tasks. Assessment will focus on traditional
outcomes (e.g. solving synthetic and mechanistic problems), as well as secondary
outcomes, such as critical reading. This talk will focus on the design and initial
assessment (1 class section) of the course.
CHED 203
Pedagogical focus for training peer leaders to improve comprehension in organic
chemistry
Connie Gabel, cgabel@msudenver.edu.Department of Chemistry, Metropolitan State
University of Denver, Denver, Colorado 80217, United States
Peer leaders receive instruction on how to lead group study sessions for organic
chemistry using a constructivist framework. Dynamic interactions between students as
well as with the peer leader encourage participation among the students. Peer leaders

are selected based on their command of organic chemistry in addition to their ability to
interact well with peers in a group study setting. The peer leaders are taught the
importance of using neural scaffolding to help control student frustration when learning
organic chemistry concepts. Another key technique incorporated in training peer leaders
is learning to initiate the construction of knowledge using the Socratic method. Working
problems on the board and in small groups helps students to solve problems beyond
the zone of proximal development with the assistance of a more capable peer. These
methods facilitate the creation of a scholarly learning community for improving
comprehension in organic chemistry. Results indicate a significant difference.
CHED 204
Indicators of success in organic chemistry
Kevin M. Bucholtz1, bucholtz_km@mercer.edu, Mark F. Owens2. (1) Department of
Chemistry, Mercer University, Macon, GA 31204, United States (2) Department of
Economics and Finance, Middle Tennessee State University, Murfreesboro, TN 37132,
United States
A student's success in organic chemistry is a complex and multi-faceted problem that
has many variables for whether a student succeeds or subscribes to the weed out
reputation of the course. The course is challenging for many students because of the
difficulty of the material and the traditionally qualitative foundation of the curriculum. A
variety of statistical methods have been used to analyze six years of data from a single
institution to better understand these variables. The data identifies indicators of student
success from the organic chemistry course, the chemistry curriculum as a whole and
pre-college performance. With this data, it has provided the foundation to enhance and
improve pedagogical approaches in organic chemistry.
CHED 205
Engaging students in publishing on the internet early in their careers
Antony J. Williams1, williamsa@rsc.org, Valery Tkachenko1, Colin Batchelor2, David
Sharpe2, Jon Steele2. (1) Cheminformatics, Royal Society of Chemistry, Wake Forest,
NC 27587, United States (2) Cheminformatics, Royal Society of Chemistry, Cambridge,
United Kingdom
As a result of the advent of internet technologies supporting participation on the internet
via blogs, wikis and other social networking approaches, chemists now have an
opportunity to contribute to the growing chemistry content on the web. As scientists an
important skill to develop is the ability to succinctly report in a published format the
details of scientific experimentation. The Royal Society of Chemistry provides a number
of online systems to share chemistry data, the most well known of these being the
ChemSpider database. In parallel the ChemSpider SyntheticPages (CSSP) platform is
an online publishing platform for scientists, and especially students, to publish the

details of chemical syntheses that they have performed. Using the rich capabilities of
internet platforms, including the ability to display interactive spectral data and movies,
CSSP is an ideal environment for students to publish their work, especially syntheses
that might not support mainstream publication.
CHED 206
Evaluation of photo-induced crosslinking of thymine polymers using FT-IR and
chemometric analysis
Kris McDonough1, mcdonok@simmons.edu, Rebecca Koelln1, Kiara Dupuy1, Jennett
Chenevert1, Getey Anwar1, Monica Khun1, Caroline Coughlin1, Deepa Kumarjiguda1,
Santiago Bortolato2, Debora Martino2, Rich Gurney1. (1) Department of Chemistry and
Physics, Simmons College, Boston, MA 02115, United States (2) Instituto de Desarrollo
Tecnolgico para la Industria Qumica (INTEC) (UNL -CONICET), Santa Fe, Santa Fe
S3000GLN, Argentina
In recent years there has been a great interest in the design and construction of micro
and nanostructures having functional responses to external stimulus, such as pH,
temperature and light, especially for use as microsensors and controlled release
systems.
Copolymers containing thymine residues 4-vinylbenzyl thymine (VBT) and ionic styrene
derivative 4-vinylbenzyl triethyl ammonium chloride (VBA) of varying compositions were
evaluated. Comparable to naturally-occuring DNA chains, UV irradiation induces the
formation of cyclobutane dimers between neighboring thymine residues, resulting in
three-dimensional crosslinking of copolymer chains. The photo-dimerization kinetics for
the copolymers have been investigated using grazing-angle specular-reflectance
Fourier-Transform infrared spectroscopy, complemented by Multivariate Curve
Resolution-Alternating Least Squares (MCR-ALS) methods. The study allows the
sequential estimation of the contribution to the total signal due to different species,
which can be used to calculate the crosslinking rate.
CHED 207
Impact of alkyl group on aggregation and fluorescence quenching for a
homologous series of squaraines targeted for photovoltaic devices
Victor M Murcia1, cjcscha@rit.edu, Susan D Spencer2,3, Bi Zhu1, Brandon Cona1,
Patrick Heaphy1, Jeremy A Cody1, Christopher J Collison1,2,3. (1) School of Chemistry
and Materials Science, Rochester Institute of Technology, Rochester, New York 14623,
United States (2) Microsystems Engineering, Rochester Institute of Technology,
Rochester, New York 14623, United States (3) NanoPower Research Laboratory,
Rochester Institute of Technology, Rochester, New York 14623, United States

Squaraines offer a small molecule alternative for spectral harvesting in the near infrared
region of the solar spectrum, where there exists a large supply of photon density that
can be leveraged in tandem organic photovoltaic devices. Squaraine molecules exhibit
panchromaticity, high extinction coefficients and a high stability to oxidation, and
therefore have stimulated recent high levels of investigation. We study a series of
squaraines synthesized in our group, where there are some molecular packing
anomalies in the solid state, which we propose will impact the efficiency of organic solar
cells. We demonstrate that the packing geometry of di-hydroxy-anilinic squaraines may
depend predominantly upon the branching at the second carbon on the alkyl sidechains.
We provide supporting evidence along with the power conversion efficiency data, which
points towards new strategies for improving device efficiencies.
CHED 208
Chemical treatment of wastewater from a leather tanning facility
Jessica S George, jessica.george8@gmail.com, Heather J Shipley.Civil and
Environmental Engineering, University of Texas at San Antonio, San Antonio, TX
78249, United States
The process of leather tanning produces harmful pollutants. In order to meet regulatory
standards, this study explored chemical treatment methods to successfully and
efficiently reduce the concentrations of harmful pollutants in the wastewater. Multiple
wastewater streams representative of various stages in the tanning and wastewater
treatment processes were initially characterized and subsequently treated through
means of chemical coagulation and adsorption. Through a series of jar test
experiments, use of multiple industry-grade polymers as chemical coagulants greatly
reduced chromium concentrations and turbidity levels. The wastewater streams were
also subjected to adsorption experiments to see chromium and nitrogen removal
efficiency of metal oxide nanoparticles and activated carbon at varying concentrations
over a 24hr period. Though poor adsorption of chromium occurred by both the
nanoparticles and activated carbon, the activated carbon was successful in reducing
nitrogen levels by over 90%. Having tested different methods for wastewater treatment,
the use of polymers as coagulants was deemed the most successful at removal of
chromium and improvement in clarity.
CHED 209
How much caffeine is in your cup? Quantifying caffeine for a local coffeeshop
Katie M. Fredo, katiefredo@gmail.com, Kimberly Cossey.Department of Chemistry,
Physics, and Astronomy, Georgia College and State University, Milledgeville, Georgia
31061, United States
The primary goal of this research is to determine the amount of caffeine in coffee from a
local coffee shop in Milledgeville, Georgia. Blackbird Coffee coffee shop has requested

information on the caffeine content in their products to report to their consumers.


Caffeine is a stimulant and is most commonly consumed through coffees and teas.
Even though caffeine content can vary widely based on various factors (the brewing
methods used, the acidity of the coffee, etc.), consumers want to know how much
caffeine they consume. In this research, liquid-liquid extraction was used to separate
the caffeine from the other contents found in coffee. The extracted caffeine was
characterized via 1H-NMR spectroscopy to confirm that caffeine was extracted and to
analyze the purity of the caffeine. The mass of the recovered caffeine was recorded and
compared to caffeine from commercial products.
CHED 210
Motivating students to persist in general chemistry: A potential solution
Amanda F Cook1, amandacook417@gmail.com, Lisa C Duffin2, Martha M Day1. (1)
Department of SKyTeach, Western Kentucky University, Bowling Green, Ky 42101,
United States (2) Department of Psychology, Western Kentucky University, Bowling
Green, Ky 42101, United States
The purpose of this study was to examine the self-efficacy beliefs and attitudes towards
general chemistry in a sample of (n = 1,126) first-time, first-year freshmen from a large
comprehensive university in the Mid-South. The following research questions were
examined: 1) how well do self-efficacy beliefs for general chemistry and attitudes toward
chemistry predict intentions to take future chemistry courses?, 2) which is the best
predictor of intentions; self efficacy for general chemistry or attitude toward chemistry?,
and 3) If other known factors that influence intentions (i.e., past experiences, past
performances, and choice of major) were controlled, is self-efficacy for general
chemistry and attitude toward chemistry still able to predict a large amount of the
variance in intentions to take future chemistry courses? Findings from the regression
analyses with statistical significance will be presented and implications for science
educators and STEM administrators will be discussed.
CHED 211
Pre-service teacher impacts from working in a peer tutoring center
Mary C Martin1, marti3mc@cmich.edu, Janice Hall Tomasik1, Debra Linton2, Anthony
Feig3. (1) Department of Chemistry, Central Michigan University, Mount Pleasant,
Michigan 48858, United States (2) Department of Biology, Central Michigan University,
Mount Pleasant, Michigan 48858, United States (3) Department of Geography, Central
Michigan University, Mount Pleasant, Michigan 48858, United States
The Peer Assistance Center (PAC) is a chemistry tutoring center open to all students in
100-level chemistry courses. The tutors hired for the PAC are pre-service teachers who
have completed a training session taught by the PAC advisors. Qualitative data
collected by an interview of four of the PAC tutors will be discussed. This interview

revealed parallels between the concepts tutors help students with and the content for
Teacher Preparation and the Michigan Teacher Training Certification. Additionally, PAC
tutors report the center helps them practice different teaching methods and build a
rapport between students and faculty.
CHED 212
Rewards and challenges of an academic career in predominately undergraduate
teaching institutions: A fifteen year, three-university retrospective
Donna K Howell, donna.howell@park.edu.Department of Natural and Physical
Sciences, Park University, Parkville, MO 64152, United States
The presenter, a tenured faculty member at Park University in the Department of
Natural and Physical Sciences currently serving as department chair, will reflect over
the course of her career spanning 3 very different primarily undergraduate institutions -public and private, secular and non-secular, strong research focus and predominantly
teaching focus. Comparisons and contrasts between the three institutions will be drawn
in order to give individuals considering an academic in this venue a full understanding of
the demands of the field.
CHED 213
Career advancement as adjunct faculty
Charity Lovitt, lovittc@seattleu.edu.Department of Chemistry, Seattle University,
Seattle, WA 98122, United States
Over 40% of college academic faculty in the US college system are non-tenure track
faculty, many of whom are adjunct faculty on short-term contracts.It is expected that this
number will increase. This paper will describe ways to obtain professional development
while adjunct faculty. It lists strategies for dealing with rejection and uncertainty while
pursuing an active career. It will discuss strategies for dealing with the two-body
problem (two specialized professions, one couple). It is important to be flexible in career
options, to keep learning new skills because it is never known when a job may open up
that needs that expertise.
CHED 214
Maneuvering the path of academic fulfillment: The search, tenure, and promotion
process
Joy J. Goto, jgoto@csufresno.edu.Department of Chemistry, California State
University, Fresno, Fresno, California 93740, United States

We often try to match our inner goals of academic success with the outer expectations
of the search, tenure, and promotion process. In most cases, the path you take in your
academic job search is a winding road that leads to a meeting point where one begins
their tenure-track position as an assistant professor. I will describe the job search
process and retention, tenure, and promotion (RTP) plan at a four-year public university
with a M.S. research program. I can offer the perspective of one that has sanely
managed the RTP process and come out on the other side both elated and satisfied
with the journey. I will also add insight into what search committees seek in potential
colleagues at the university-level. I hope to ease the process and relate my story in the
hopes of making the road easier to traverse.
CHED 215
Effective practices in teaching and mentoring: How to teach better, save time, and
have more fun
Penny J Beuning1, p.beuning@neu.edu, Scott A Snyder2, Dave Z Besson3. (1)
Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA
02115, United States (2) Department of Chemistry, Columbia University, New York,
New York 10027, United States (3) Department of Physics and Astronomy, University
of Kansas, Lawrence, Kansas 66045, United States
Faculty members at research universities face many challenges in establishing
themselves as effective teachers, researchers, and mentors. Early in faculty careers,
precious time can be lost to reinventing the wheel in teaching and mentoring. Many new
faculty tend to spend too much time on teaching duties and spend too little time on
scholarly work (Felder 1998 Chem Eng Ed v32 p46), which can lead to feelings of
isolation and dissatisfaction. New faculty in the physical sciences face particular
challenges, as they often teach large lecture classes, which may also be required
courses for non-majors. We are surveying Cottrell Scholars, who are a group of faculty
identified for their commitment to integrating research and education, to identify
effective practices in teaching and mentoring. This work will be made available to new
faculty as a book and on-line to help new faculty teach better and enjoy the experience
more.
CHED 216
Developing a research program at a community college
James Mendez, james.mendez@sowela.edu.Department of Liberal Studies and
Education, Sowela Technical Community College, Lake Charles, Louisiana 70616,
United States
The prospect of establishing a research program at any level can be daunting; however,
community colleges present a unique set of opportunities and challenges. After
graduate school, the prospect of working in industry or two years in a lab as a postdoc

were not appealing, leading me to apply for instructor positions. With absolutely no
research, I did not plan to stay long at Sowela Technical Community college when I
started two years ago. After a few months though, I realized that these students were
just as interested in learning and research as any traditional 4-year student. The limiting
factors for these students were the lack of faculty interested in research along with no
infrastructure. Both local and state grants have improved our infrastructure and
simultaneously encouraging further faculty involvement. While not easy, developing a
research program at a community college can be rewarding for faculty as well as
students.
CHED 217
More than teaching and research: Early career experiences at a teachingintensive liberal arts college
An-Phong Le, ale@flsouthern.edu.Department of Chemistry and Physics, Florida
Southern College, Lakeland, Florida 33801, United States
Florida Southern College is a regional liberal arts college affiliated with the United
Methodist Church and is particularly focused on teaching and engaged learning. I will
discuss my experiences as a second year faculty member in a young department which
is, in many ways, in transition. I have been heavily involved in departmental and
college-wide efforts to grow and support the natural sciences and to increase research
activity. Particular mention of faculty duties outside those traditionally associated with
teaching and research will be made, and I will offer additional perspectives from having
already been involved with three faculty searches.
CHED 218
Life on the Hill: Early career experiences at Seton Hill University, a teaching
oriented liberal arts university
Diana Hoover, hoover@setonhill.edu.Division of Natural and Health Sciences, Seton
Hill University, Greensburg, PA 15342, United States
The day in the life of an assistant professor of chemistry at a liberal arts university with
a strong teaching focus will be shared. Seton Hill University is a Catholic, liberal arts
coeducational university with approximately 2000 students located near Pittsburgh,
Pennsylvania. The teaching, scholarship, and service expectations at this type of
university will be defined, with particular emphasis given to personal experiences in
undergraduate research mentorship and teaching.
CHED 219
Adventures from the hunt, setting up camp, and forging a new trail: Postcards
from the strange land of Academia

William A Alexander, w.alexander@memphis.edu.Department of Chemistry, The


University of Memphis, Memphis, TN 38152, United States
In this presentation, I will share perspectives gained while hunting for an academic
position, and during my successful adventures interviewing at a variety of institutions
ranging from small four-year PUIs to large research universities. Similarities and
differences between the interview processes at the various institutions will be
highlighted, and insightful opinions will be offered to aid job-seekers in their pursuits.
I will also report on my first-year experiences managing classroom instruction and
establishing my research group at The University of Memphis, a learner-centered
metropolitan research university which serves a diverse population of over 18,000
undergraduate and 4,000 graduate students. The Department of Chemistry at U of M
currently consists of two dozen faculty, who serve over fifty graduate students (PhD and
MS) and hundreds of undergraduates, graduating about two dozen chemistry majors
per annum. I will delineate how my expectations coming into the position have shaped
up with reality.
CHED 220
Sunshine and maple syrup: Early years for chemistry faculty at the University of
Vermont
Rory Waterman, rory.waterman@uvm.edu.Department of Chemistry, University of
Vermont, Burlignton, VT 05405, United States
With the smallest state allocation per capita in the country, UVM is a flagship state
research university that operates very much like a private research-intensive university.
Therefore, it is somewhat surprising that the institution has always had a small
chemistry faculty (currently 11 tenure/tenure track), especially given the undergraduate
teaching load of ~3500 students per year. Though stated effort distribution of 40:40:20
teaching to research to service might be skewed under these numbers, the department
works to maintain relatively low teaching loads within contract-mandated stipulations.
Despite (or perhaps because of) these factors, UVM chemistry ranked higher than
peer institutions in many research productivity indicators (publications per year, etc.) in
the most recent NRC rankings. Within those numbers a supportive, a collegial
atmosphere has led to success for many junior faculty at UVM.
CHED 221
Strive and thrive in academic career: An example of early-career faculty in
environmental engineering
Venkataramana Gadhamshetty, gadhav@rpi.edu.Civil and Environmental
Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180, United States

The presentation provides an overview on the experience of early-career teaching


faculty at Rensselaer Polytechnic Institute. The first half of the presentation will be
geared on basic information about RPI- students, faculty, research facilities, and
campus. The second half of the presentation will revolve around faculty's experiences
(broadly defined) during his three years of stay at RPI. The presentation will include
information on the demonstrated strategies to introduce research education to
undergraduates during their early career.
CHED 222
Addressing global challenges in sustainability through catalysis
Melanie S. Sanford, mssanfor@umich.edu.Department of Chemistry, University of
Michigan, Ann Arbor, MI 48109, United States
This talk will describe basic research efforts aimed at addressing global
challenges in sustainability via catalysis. These efforts are supported by the NSF
Center for Enabling New Technologies through Catalysis (CENTC). Topics will
include developing more energy efficient catalytic routes to fuels, commodity
chemicals, and fine chemicals as well as methods for the catalytic reduction of
carbon dioxide.
CHED 223
Systematic development of an artificial solar-fuel generation device
Nathan S. Lewis, nslewis@caltech.edu.Department of Chemistry and Chemical
Engineering, California Institute of Technology, Pasadena, CA 91125, United States
Addressing the world's energy challenges will require cost-competitive, globally scalable
technologies for fuel production that minimize impact on the environment. Despite
decades of research focused on understanding and improving the efficiencies of natural
photosynthesis, the energy conversion efficiencies of the most productive biofuel crops
remain too low for mass industrialization of bioenergy. The Joint Center for Artificial
Photosynthesis (JCAP) focuses on an alternative approach that aims to produce
chemical fuels from sunlight, water, and carbon-dioxide using an engineered, nonbiological device that is cost-effective, robust, and efficient. Research at JCAP involves
the development of core technologies for artificial solarfuels generation, including
directed and combinatorial methods for the discovery of light-absorbing, semiconductorbased materials and water-splitting and carbon dioxide reducing catalysts, the design of
ion-permeable, gas-separating membranes, and methods for efficiently integrating and
assembling these components into fully functional prototypes. Recent discoveries in
JCAP have led to significant advances towards commercially viable, solar-fuel
producing systems.
CHED 224

Comparative study of undergraduate chemistry curricula and teaching in India


and USA
Anil C Banerjee, banerjee_anil@columbusstate.edu.Department of Chemistry,
Columbus State University, Columbus, GA 31907, United States
A comparison of typical undergraduate chemistry curricula followed in India and USA
shows difference in requirements and perspectives. Four-year liberal arts concept is
followed in USA with about 60% course load in chemistry in a typical BS professional
degree track. In India, the BS chemistry program is for three years and students study
mainly chemistry with two physics and three mathematics courses. There are no
general chemistry requirements. The general methodology for lecture courses is similar.
But the lab courses are more rigorous in India with 4-5 hours lab all five days in a week
throughout the whole academic year. The focus is problem solving, skill development
and quantification. In USA, undergraduate research is an important part, while this is
almost missing in a BS chemistry program in India. Undergraduate education is offered
in colleges affiliated to a university, with curriculum and exams being controlled by the
affiliating university.
CHED 225
Research and teaching abroad: Contrasting chemical education in Brazil and the
United States
Brian G McBurnett, mcburnet@uiwtx.edu.Department of Chemistry, University of the
Incarnate Word, San Antonio, Texas 78209, United States
This presentation involves observations and experience gained from a semester of
teaching and research in Brazil. As a Fulbright Scholar, the presenter taught an
undergraduate inorganic class and participated in research at a private university in Rio
de Janeiro. Challenges of teaching and living abroad will be discussed. This
presentation will focus on a comparison of the pedagogical and cultural differences
between institutions in the United States and Brazil with the objective of facilitating
future collaborations.
CHED 226
Molecules of life: Introducing chemistry into the culture of elementary school
education by way of experiential learning using experiments and art projects
William D. Lubell, lubell@chimie.umontreal.ca.Dpartement de chimie, Universit de
Montral, Montral, Qubec H3C 3J7, Canada
Recognizing that chemistry has been traditionally poorly represented in the culture of
elementary school education, Molecules of Life (MoL: www.moleculesoflife.ca) was
launched in Canada to expose elementary school students to chemistry by way of

experiential learning using experiments and art projects. Currently in its sixth year, MoL
recruits university art and science student volunteers, who have teamed up to produce
and deliver presentations in English and French at elementary schools in Halifax and
Montreal. Over 40 different projects featuring molecules of life have been created and
taught by MoL volunteers employing discussion, experiments and art to captivate the
interest of the elementary school students. Moreover, to enhance impact, MoL has
recently begun to produce educational videos with the debut of "How to teach 3rd
graders about chlorophyll". In this entertaining and informative video, two volunteer
actors, students from the arts and sciences, Ms. Molecule and Ms. Life discuss and
demonstrate the elements necessary for the set-up, performance and interpretation of a
MoL class on the green pigment from plants responsible for photosynthesis. Describing
how to extract the pigment from spinach and showing how to use the pigment for
painting, they cover a variety of subjects from scientific, historical and artistic
perspectives. Our presentation will highlight MoL efforts and issues in bringing
chemistry into the culture of the elementary school classroom by way of experiential
learning.
CHED 227
Integration of faith and chemistry: Mission field solutions
Christopher T Jones, ctjones@bpc.edu.Department of Arts and Sciences, BrewtonParker College, Mount Vernon, Georgia 30445, United States
A model for presenting the traditional concepts of solution chemistry to
undergraduates in the context of water quality on the Christian mission field will
be examined. This model can be used to cover the required information in the
same amount of class time while making the topic relevant to students at a faithbased institution of higher education. This model can be used to bridge the gap
between the academic discipline of chemistry and an institution's mission
statement that encourages the integration of faith and learning.
CHED 228
Pharmacy technician curriculum within a high school health science academy:
Where's the chemistry?
Sean P. Madden, smadden1@greeleyschools.org.Pharmacy Technician Program,
Greeley District 6 Health Science Academy, Greeley, CO 80631, United States
The ACS Guidelines and Recommendations for the Teaching of High School Chemistry,
(2012) acknowledges that high school students of diverse backgrounds may be
exposed to the "big ideas" of chemistry in a variety of contexts. This presentation serves
as a case study for how such learning takes place within the Greeley District 6
Pharmacy Technician Class, which is one component of the Greeley Central High

School Health Science Academy; sponsored by Banner Health Systems and North
Colorado Medical Center.
CHED 229
What are POGIL labs and how are they different?
Frank J. Creegan, fcreegan2@washcoll.edu.Department of Chemistry, Washington
College, Chestertown, Maryland 21620, United States
What distinguishes a POGIL laboratory from a traditional laboratory? What is unique
about the POGIL laboratory text material? How does POGIL lab work relate to lecture
content? How does student laboratory work in a POGIL setting differ from that in
conventional approaches? What role does the instructor play in the POGIL laboratory
experience? What are the criteria for POGIL lab experiments? Specific POGIL
experiments and experiment outcomes will be used to answer these and other
questions about using Process-Oriented Guided Inquiry Learning in the chemistry
laboratory.
CHED 230
Development and implementation of guided inquiry experiments for physical
chemistry
Alexander Grushow1, grushow@rider.edu, Sally Hunnicutt2, Robert Whitnell3. (1)
Department of Chemistry, Biochemistry & Physics, Rider University, Lawrenceville, NJ
08648, United States (2) Department of Chemistry, Virginia Commonwealth University,
Richmond, VA 23238, United States (3) Department of Chemistry, Guilford College,
Greensboro, NC 27410, United States
The NSF-funded POGIL-PCL project implements the principles of Process Oriented
Guided Inquiry Learning (POGIL) in order to improve student learning in the physical
chemistry laboratory (PCL) course. POGIL principles are being used to develop inquirybased physical chemistry experiments that emphasize macroscopic and molecular
models of chemical phenomena. We will briefly describe physical chemistry
experiments that are under development in areas such as chemical kinetics, solvent
effects on chemical equilibria, phase transition behavior, thermodynamics,
spectroscopy, and computational chemistry. We will also describe the community of
instructors who are collaborating on generating and using POGIL-PCL experiments.
This presentation will discuss the general structure of a POGIL physical chemistry
experiment with specific examples that are currently being tested with students and give
an overview of future workshops in which interested physical chemistry laboratory
instructors can become involved in the POGIL-PCL project.
CHED 231

Enriching infrared spectroscopy learning through inquiry-based activities


Sarah A Winget, swinget@agnesscott.edu, Ruth E Riter,
rriter@agnesscott.edu.Department of Chemistry, Agnes Scott College, Decatur, GA
30030, United States
Problem-based (PB) laboratory experiments linked to process-oriented guided-inquiry
learning (POGIL) activities for student learning of Fourier-transform infrared (FTIR)
spectroscopy in analytical and physical chemistry are being developed, implemented
and evaluated in a project funded by an NSF TUES Type I grant (#1140391). The
POGIL activities will focus on student understanding of key IR spectroscopic concepts.
The PB laboratory experiments will provide students with hands-on opportunities to
explore fundamental techniques and measurements, including attenuated total
reflectance (ATR) spectroscopy, as well as investigate advanced topics such as the
characterization of surfaces. All activities and laboratory experiments will be peer
reviewed and classroom tested through The POGIL Project. These novel resources will
be designed as self-contained modules that may be used in any upper-level
undergraduate course by any practitioner wishing to use active learning methods to
study FTIR spectroscopy and/or fundamental principles illustrated by FTIR
spectroscopy.
CHED 232
Making the Science Writing Heuristic work
Dawn Del Carlo, dawn.delcarlo@uni.edu.Department of Chemistry and Biochemistry,
University of Northern Iowa, Cedar Falls, IA 50614, United States
Educators often try to implement new methods and approaches into their teaching but,
when faced with inevitable challenges, tend to either abandon the new approach or
tweak it to something more comfortable, but also, not much different from what they
were doing before. This presentation will discuss the basic tenets of the Science Writing
Heuristic (SWH) that make it what it is (and consequently, should not be tweaked),
what elements afford a bit more flexibility, and how they fit together. Specific strategies
for modifying existing lab experiments, report format, and student tasks while in
laboratory will be presented.
CHED 233
POGIL-Science Writing Heuristic (SWH) hybrid experiments for teaching concepts
in introductory organic laboratory
R Daniel Libby, rdlibby@chem.moravian.edu.Chemistry, Moravian College, Bethlehem,
PA 18018, United States

For the last four years, I have been using hybrid POGIL/SWH experiments in my
introductory organic laboratory. My approach helps students learn fundamental
concepts, data processing skills and scientific writing skills while they are acquiring
laboratory techniques. Each experiment starts with a question and requires students to
propose types of laboratory data to answer it; students also submit an electronic pre-lab
assignment to assess their understanding of concepts relevant to the question. In a prelaboratory discussion students develop a general experimental plan. They then receive
a workable procedure for collecting the required data. In the laboratory each student
individually collects part of the data. Class data are pooled electronically and a post lab
discussion helps the students explore various ways to organize and interpret the total
data set in preparation for writing a detailed report. The presentation includes my twosemester lab syllabus and a detailed discussion of one specific experiment.
CHED 234
Implementing student roles in the general chemistry laboratory: Student-led
instructor-facilitated guided-inquiry based laboratory (SLIFGIL)
Tanya Gupta1, guptat@gvsu.edu, Thomas J. Greenbowe2, Kathy A. Burke2. (1)
Department of Chemistry, Grand Valley State University, Allendale, MI 49401, United
States (2) Department of Chemistry, Iowa State University, Ames, Iowa 50011, United
States
Previous researchers have demonstrated that students who experienced the Science
Writing Heuristic (SWH) approach (a type of guided-inquiry based laboratory instruction)
performed academically better than students receiving non-SWH or more traditional
laboratory instruction. In the present study implementation of the SWH approach is
extended further, with students leading the laboratory session, facilitated as needed by
their laboratory instructor. Students are assigned various roles as experts that are
consistent with components of the SWH approach. Roles include beginning questions
expert, safety expert, data table expert, claims expert and evidence and analysis expert.
Implementation of student roles in accordance with the SWH approach necessitates a
learner-centered classroom environment and accountability on the part of the students.
This study was based on a mixed-methods research design. Results of the study
indicate that students who were involved in group roles consistent with the SLIFGIL
teaching approach performed statistically significantly better on hour exams and
laboratory practical exams as compared to students in SWH format laboratories that
were facilitated solely by an instructor. Among students in the SLIFGIL group approach
there was an increased amount of student-student interaction, a higher level of student
preparedness, a superior understanding of the SWH format, and an improved general
overall understanding of the concept of the laboratory activity. Further, students
produced higher quality writing as a result of undertaking student roles.
CHED 235
Use of an SWH experiment as the model for a POGIL classroom activity

Brandon M Fetterly1, brandon.fetterly@uwc.edu, Kathy A Burke2, Thomas J


Greenbowe2. (1) Chemistry, University of Wisconsin-Richland, Richland Center, WI
53581, United States (2) Chemistry, Iowa State University, Ames, Iowa 50011, United
States
The use of models to build student understanding distinguishes a classroom utilizing
POGIL from traditional classrooms. In current published activities, models are presented
to students through written material or printed figures. In order to better link lab and
lecture content, the observations gained in an exploratory laboratory experiment utilizing
the Science Writing Heuristic are used to build the model for a POGIL classroom activity
in the following session. This methodology will be shown using observations from a
qualitative analysis experiment to build a model for an activity on double replacement
reactions.
CHED 236
Using the science writing heuristic in an upper-level laboratory
Caryl Fish, caryl.fish@email.stvincent.edu, Steven Gravelle.Department of Chemistry,
Saint Vincent College, Latrobe, PA 15650, United States
In an upper-level chemistry laboratory that includes project-based laboratories from both
instrumental analysis and physical chemistry, we have used the science writing heuristic
(SWH) as the guiding principle for both project design and student written reports.
Students turn in proposals for each project that address their beginning questions and
develop a method to answer those questions. In their reports students must address the
beginning questions, make a claim that answers their question, provide evidence from
their data that supports the claim, and then interpret their results based on some outside
reading. Student learning was evaluated using primary trait analysis, and coding the
reading and reflection section of the lab reports for process skills like information
processing and critical thinking.
CHED 237
Incorporating the Science Writing Heuristic across the chemistry curriculum
Steven J Gravelle, sgravelle@stvincent.edu, Matthew A Fisher.Department of
Chemistry, Saint Vincent College, Latrobe, PA 15650, United States
The Science Writing Heuristic (SWH) has been used in many of the chemistry major
laboratory courses at Saint Vincent College since 2005. These courses range from
freshman-level General Chemistry to our junior-level Advanced Physical Methods. We
have incorporated it across a broad range of courses because (1) it is a writing to
learn strategy that helps our students to focus on the science underlying the
laboratories, (2) it provides a more inquiry-based structure in our laboratories and (3) it
helps the students develop the habits of mind necessary for developing a successful

senior research project. We will provide examples of ways that we emphasize different
components of the SWH in the various laboratory courses to help the students evolve in
their approach to scientific thinking and problem solving. We will also briefly describe
how the use of the SWH has impacted our senior research program.
CHED 238
Arrowpushing in inorganic chemistry: Charting the limits of the approach
Steffen Berg, steffenberg@hotmail.com, Abhik Ghosh,
abhik.ghosh@uit.no.Department of Chemistry, University of Troms, Troms, Norway
While a mechanistic approach ("arrowpushing") is universally adopted in introductory
organic chemistry, a similar approach is not used for introductory inorganic chemistry. A
perusal of introductory inorganic texts currently available on the market revealed a
complete lack of mechanistic rationale, as far as descriptive main-group chemistry is
concerned. In a recent article (Berg, S.; Ghosh, A. J. Chem. Educ. 2011 , 88, 16631666), we argued that there was little justification for this state of affairs to continue. But
just how far can an arrowpushing approach be pushed to teach main-group reaction
chemistry? The answer, we believe, is 'very far indeed'. We will illustrate our approach
by discussing some of the more stoichiometrically complex reactions that one
encounters in standard undergraduate inorganic texts.
CHED 239
Incorporating catalysis in the undergraduate inorganic chemistry lecture and
laboratory
Bradley M Wile, b-wile@onu.edu.Department of Chemistry and Biochemistry, Ohio
Northern University, Ada, OH 45810, United States
This talk will describe efforts to incorporate catalytic cycles into the first undergraduate
inorganic chemistry course at Ohio Northern University. Activities in the lecture and
laboratory portions of this course are integrated, and students are encouraged to
explore implications of catalysis in small groups. At the conclusion of each activity, each
group communicates their findings, and some generalizations are made as a whole.
CHED 240
Utilizing metallacrowns for a multi-week upper-division inorganic laboratory
Curtis M. Zaleski, cmzaleski@ship.edu.Department of Chemistry, Shippensburg
University, Shippensburg, PA 17257, United States
Students engage in a multi-week, upper-division inorganic laboratory that explores four
different metallacrown compounds. This report provides experimental details regarding

the syntheses and characterization techniques, including cyclic voltammetry, solid state
magnetic susceptibility, FT-IR, UV-Vis, and paramagnetically shifted 1H-NMR. In
addition, data sets and spectra are provided for the characterization methods. A general
course outline is also provided for the different laboratory sessions. The premise of the
project is to mimic a research laboratory atmosphere in a controlled teaching
environment. The students are expected to explore the primary literature and to develop
characterization conditions for their particular metallacrown. The metallacrown
laboratory also serves as a capstone to the inorganic course as multiple lecture topics
and laboratory techniques are combined in the last weeks of the semester.
Furthermore, the topic of metallacrowns allows the instructor to combine a variety of
principles from other chemistry disciplines such as organic and analytical chemistry.
CHED 241
Increasing student comprehension in inorganic chemistry through use of online
homework
Jason S. Overby, overbyj@cofc.edu.Department of Chemistry and Biochemistry,
College of Charleston, Charleston, SC 29424, United States
While online homework is a well-tested and well-understood technology for prep, intro,
general, and organic chemistry courses, its use in upper-level courses like inorganic
chemistry is minimal at best. To help with student comprehension and understanding of
advanced topics covered in a senior-level inorganic chemistry course, online homework
has been employed. An overview of the material and results from its use will be
described.
CHED 242
Investigating the effects of online homework on student achievement in
chemistry
Diane M Bunce, Bunce@cua.edu, Matthew Tomney, Ashlie Wrenne.Chemistry, The
Catholic University of America, Washington, DC 20064, United States
Online Homework is used in a variety of chemistry courses. Faculty who have overcome
the technological hurdles endorse it because it forces students to keep up with their
homework and to receive grades and feedback in a timely manner. Educational theory
supports the benefit of immediate feedback in learning. Book publishers have built in the
ability to set different parameters to better meet the needs of faculty of both large and
small classes. Research reporting on student satisfaction with Online Homework reports
student satisfaction with Online Homework, but does Online Homework affect student
achievement? This study conducted across three semesters with two different teachers
teaching the same course and using Online Homework does not show a definitive
advantage for student achievement. What is missing? Is it the experimental design, the

specific implementation of the Online Homework or the Online Homework itself? This
and other questions will be discussed.
CHED 243
Forays into blended learning with interactive digital content
Bernadette Harkness, bernadetteharkness@delta.edu.Department of Chemistry, Delta
College, University Center, MI 48640, United States
Among the many innovations in teaching chemistry in recent years, technology has
played a huge role as many educators embrace the use of tools such as clickers, online
homework, animations and videos to name a few, to increase student engagement and
to offer diverse learning modes. Some of these tools can be used in both traditional oncampus classes as well as for distance learning classes. This use of technology also
extends to online content delivery and is being used more frequently to blend online and
on-campus learning experiences. This blended learning approach can offer
opportunities for increasing classroom time for more active learning exercises or for
decreasing classroom time to shift to a more distance learning format. This discussion
will focus on the use of webpage authoring tools that can deliver online content with
engaging and interactive experiences for the student to learn and master basic
chemistry fundamentals. Student feedback and assessment data of their learning
experiences will also be reported to show the effects of online content delivery in both
traditional on-campus and hybrid (lecture online/ lab on-campus) introductory chemistry
classes.
CHED 244
Targeting higher levels of learning in the general chemistry series by using
Marzano's Taxonomy
Santiago A. Toledo1, stoledo@tlu.edu, Justin M Dubas2. (1) Department of Chemistry,
Texas Lutheran University, Seguin, TX 78155, United States (2) Department of
Economics, Texas Lutheran University, Seguin, TX 78155, United States
This presentation provides a framework to help chemistry students develop higher order
thinking skills. Marzano's Taxonomy gives a theoretical framework for learning that can
be adapted as a useful model in the chemistry classroom. This adaptation is used to
develop student learning outcomes for courses in the general chemistry series with the
goal of intentionally targeting higher levels of learning. The taxonomy based learning
outcomes are used to design classroom activities as well as formative and summative
assessments mapped to specific levels of the cognitive process. With an explicit focus
on higher-levels of learning, students are able to ascertain specific strengths and
weaknesses they have within a learning outcome in relation to the levels of the cognitive
process. Faculty can use the results of these assessments to easily identify problem

areas in terms of learning outcomes and progress in a student's cognitive development,


allowing a differentiated approach to student learning.
CHED 245
Factors to identity that enhance student learning, success, and retention in
general chemistry in an inner city university
Michael J Castaldi1, michael.j.castaldi@gmail.com, Hamid Yazdekhasti1, Christopher
Edmin2, Felicia Mensah2, Catalina Adorno1. (1) Department of Chemistry, St. Peters
University, Jersey City, New Jersey 07306, United States (2) Science Education,
Teachers College, New York, New York, United States
The problem of retention and success for introductory physical science courses has
been a continued problem for undergraduate science departments. Nowhere has the
problem been more an issue than in General Chemistry. As this is often the
"gatekeeper" for many of the sciences it is often the make or break for someone
choosing to major or to have a career in a science. Over the years there have been
many attempts to break this cycle but with very limited success. The literature is full of
studies but, the high drop rate after the first and second semesters of general chemistry
still continues. With the need to attract and keep science and engineering students we
have attempted to track our incoming general chemistry students and try to identify
factors that might be relevant to undergraduate success in the physical sciences. We
have initiated some new and creative ways which included interviews, student focus
groups, attitude surveys, online homework as well as diagnostic pre and post tests. We
will present some of our preliminary findings and results.
CHED 246
Creating connections: Introducing scientific literature research in the
undergraduate general chemistry laboratory
Margaret Bruehl1, margaret.bruehl@ucdenver.edu, Denise Pan2, Ignacio FerrerVinent2. (1) Department of Chemistry, University of Colorado Denver, Denver, CO
80217-3364, United States (2) Auraria Library, University of Colorado Denver, Denver,
CO 80217, United States
The University of Colorado Denver (UCD) Chemistry Department is collaborating with
the Auraria Library on a case study to quantify the benefits students receive in their
education by using library collections. Over the last three academic years, students
enrolled in Honors General Chemistry I and II Laboratory courses have completed units
focused on scientific literature. The goal is to introduce students to the rich resource of
scientific literature early in their undergraduate studies. A science librarian presents
library instruction targeted at topics the students have encountered in previous lab work
and lecture material. Then, the post-lab assignment challenges students'
comprehension and creativity to use library and non-library resources to explore

appropriate topics in the scientific literature, with the ultimate goal of identifying ideas for
new general chemistry laboratory experiments. While searching the literature, students
record their research process by capturing information on the scientific databases
accessed as well as search terms and refinements used, and documenting chosen
citations in ACS format. At the end of each semester, this information is gathered, along
with assignment and course grade data from each participating student, and is analyzed
by the authors of this paper in order to identify misconceptions in student learning,
evaluate the effectiveness of library instruction, find insights into teaching information
literacy, and estimate the return-on-investment (ROI) of library materials. The results of
this case study can shed light on the role of library instruction and teaching information
literacy to students early on in their undergraduate science education. Long term, this
case study can assist libraries in making informed decisions on where to invest their
resource dollars and the effective integration of library and freely available resources.
CHED 247
Infrastructure requirements of the ACS Guidelines
Laura Kosbar1, kosbar@us.ibm.com, Cynthia K. Larive2, clarive@ucr.edu. (1) IBM
T.J. Watson Research Center, Yorktown Heights, NY 10547, United States (2)
Department of Chemistry, University of California - Riverside, Riverside, CA 92521,
United States
The infrastructure requirements of the 2008 Guidelines provide a foundation for
program excellence. Faculty and instructional staff are the main drivers of
undergraduate programs therefore contact hours are limited to 15 hrs per week, with
some flexibility for averaging. A minimum of 4 faculty members are required with at least
3/4ths PhDs. The 2008 Guidelines require that programs maintain a suite of modern
instruments (including a functioning NMR) and specialized laboratory apparatus for
student use, as well as providing students and faculty access to Chemical Abstracts and
at least 14 current journals.
The past five years have witnessed rapid changes in the staffing of many chemistry
programs, with increases in the numbers of temporary and non-tenure track instructors.
Electronic access to chemical information is changing rapidly and modes of interaction
with instrumentation, including remote access, could allow other paradigms for
chemistry instruction. Updated guidelines may need to address these changes.
CHED 248
Discussion of infrastructure needed for an approved program
Laura L. Kosbar1, Cynthia K. Larive2, clarive@ucr.edu. (1) IBM T. J. Watson Research
Center, Yorktown Heights, NY 10547, United States (2) Department of Chemistry,
University of California, Riverside, Riverside, CA 92512, United States

This session will provide an opportunity for the attendees at this symposium to engage
in a conversation about infrastructure requirements for approved programs. The
discussion will focus on faculty and technology. Topics of the discussion will include
appropriate maxima for teaching loads for both tenure-track faculty and other individuals
who are involved in course delivery. We are also interested in the balance between
faculty and instructional staff in course delivery. We will explore how the revisions to the
Guidelines should reflect changes in information resources and their modes of delivery
as well as how changes in technology affect the ways in which students work with
instrumentation.
CHED 249
Development of student skills and the role of research in the undergraduate
curriculum: Implications for the ACS guidelines
Joel I. Shulman1, joel.shulman@uc.edu, Edgar A. Arriaga2, arriaga@umn.edu. (1)
Department of Chemistry, University of Cincinnati, Cincinnati, Ohio 45221, United
States (2) Department of Chemistry, University of Minnesota, Minneapolis, Minnesota
55455, United States
While formal coursework provides students with education in chemical concepts and
training in laboratory practices, students need to learn more than course content alone
to be effective and productive scientists. They need to master a variety of skills that will
allow them to become successful professionals, including problem solving, laboratory
safety, use of the chemical literature, oral and written communication, team building,
and ethical behavior. These skills can be imparted and assessed throughout the
chemistry curriculum. Undergraduate research is an important experience that
reinforces development of these skills while at the same time providing students the
opportunity to integrate concepts learned in class into the broader context of a research
question. The treatment of student-skill development and undergraduate research in the
revised ACS Guidelines will be discussed.
CHED 250
Discussion of skills required for a certified major
Edgar A. Arriaga1, arriaga@umn.edu, Joel I. Shulman2, joel.shulman@uc.edu. (1)
Department of Chemistry, University of Minnesota - Twin Cities, Minneapolis, MN
55455, United States (2) Department of Chemistry, University of Cincinnati, Cincinnati,
OH 45221, United States
The importance of skill development in undergraduate programs is becoming
increasingly evident. During this session we will focus on the range of skills certified
majors should gain by the time they graduate, how students can obtain these skills, and
how the Committee on Professional Training can assess the effectiveness of programs
to develop these skills in their students. We will also consider the role of undergraduate

research and how it can be used to help develop student skills. This session will consist
of both small group discussions as well as discussion in the larger group.
CHED 251
Undergraduate curriculum and the ACS Guidelines
Clark R. Landis1, landis@chem.wisc.edu, Anne B. McCoy2, mccoy@chemistry.ohiostate.edu. (1) Department of Chemistry, University of Wisconsin - Madison, Madison,
WI 53706, United States (2) Department of Chemistry and Biochemistry, The Ohio
State University, Columbus, OH 43210, United States
A central feature of the undergraduate experience is the courses that students are
required to take. With the 2008 Guidelines, the course requirements for certified majors
were made more flexible. Specifically, students have foundation level experiences in
each of the five sub-disciplines of chemistry (analytical, biochemistry, inorganic, organic
and physical) as well as four in-depth courses. In addition to the lecture courses,
students should have at least 400 hours of laboratory, which covers at least four of the
five sub-disciplines of chemistry. Further, approved programs need to teach the
foundation courses in the five sub-disciplines, and offer four in-depth courses annually.
In this talk, we will review the current requirements, as well as discuss areas where
changes may be introduced during the revision of the guidelines that is presently
underway. We will also describe various approaches for introducing areas of chemistry
that span multiple sub-disciplines or which represent evolving areas in chemistry.
CHED 252
Discussion of the curriculum for the certified major
Clark R. Landis1, landis@chem.wisc.edu, Anne B. McCoy2, mccoy@chemistry.ohiostate.edu. (1) Department of Chemistry, University of Wisconsin - Madison, Madison,
WI 53706, United States (2) Department of Chemistry and Biochemistry, The Ohio
State University, Columbus, OH 43210, United States
During this session we will conduct a discussion of topics related to the curriculum a
certified major must complete. In the 2008 Guidelines, considerable flexibility was
introduced into the curriculum. Part of the motivation for the flexibility is to allow
programs to include subjects that are appropriate for the students they are teaching.
There must always be a balance between flexibility and ensuring students have an
appropriate exposure to a broad range of topics that don't naturally fall into the five subdisciplines of analytical, biochemistry, inorganic, organic, and physical chemistry. Such
topics include, but are not limited to, green chemistry, polymer chemistry or material
science. Much of the discussion will focus on these issues. In addition, the Guidelines
currently stipulate that programs must teach foundation courses annually and must
teach a minimum number of in-depth courses each year. We will discuss how this
requirement affects programs, particularly when small-enrollment courses are involved.

CHED 253
Effect of phytohormones in nutrient uptake by coriander plants in soil-compost
system
Taina Rodrguez-Curet1, martha.lopez@upr.edu, Martha Lpez-Moreno2. (1)
Department of Biology, Chemistry and Environmental Sciences, Inter American
University of Puerto Rico - San Germn, San Germn, Puerto Rico (2) Department of
Chemistry, University of Puerto Rico, Mayaguez, Puerto Rico
Food shortage is a worldwide problem; to produce foods containing greater amount of
nutrients may be a solution. Different soils contain diverse nutrient content. Compost in
soil behaves as fertilizer, provides micro and macro-nutrients and increases its
retention. Also, it has other properties that contribute significantly to the growth of
plants. Phytohormones are chemical substances occurring naturally in plants; they are
responsible for regulating the physiological processes of plants. The aim of this
research was to enhance the nutrient uptake of Coriandrum sativum (Coriander) in soilcompost systems using phytohormones. Leaves and stems of coriander were analyzed
for micro and macro nutrient uptake by Inductively Coupled Plasma Mass Spectroscopy
(ICP-MS). Results showed that coriander plants grown in soil or soil- compost system
treated with phytohormones contained higher amount of nutrients. These results may
suggest that phytohormones can increase the nutrient uptake by coriander plants, but
additional studies are needed.
CHED 254
Characterization of alternate grains used in the brewing process and analysis of
product parameters
Grant D Newton, gnewton17@gmail.com, Francis M Mann.Department of Chemistry,
Winona State University, Winona, Minnesota 55987, United States
In recent months, an interest has arose in the gluten content of beer, both traditional
and gluten free. During the first part of my research, a few gluten free beers were tested
using an ELIZA (EZ Gluten) test to determine if there was any gluten in the beer. The
results showed that the gluten free beers did not contain gluten. Following this analysis,
I have analyzed alternate grains, (sorghum, rice, corn, quinoa), as well as barley, to
determine if any gluten is extracted during the fermentation process. During the
process, standard tests used during the brewing process are used on the alternative
grain fermentation to determine if the grains are a plausible alternative to standard grain
used. The tests include relative ethanol fermentation, a Brix test to determine sugar
content and consumption, and a total protein assay to determine the proteins extracted
by the fermentation process.
CHED 255

Determination of metals in pet food


Karolyn Barker, kbarker3@stedwards.edu, Donald L Wharry.Department of Chemistry,
St. Edwards University, Austin, Texas, United States
A rise in the amount of pet food recalls within the past few years has caused
concern over the health and safety of pets, as well as regulations. Metals that are not
listed on labels can have harmful impacts on the animals, especially long-term. Iron,
nickel, cadmium, copper, and chromium concentrations were tested through AA
spectroscopy. RfD values for humans were used for nickel, cadmium, and chromium
because there are not values set for animals. One was over the value for copper of a
33lb dog. Iron averaged 2x too high, nickel averaged about 1x too high, chromium
ranged from 2-6x too high, and cadmium averaged about 4x too high. For 9lb cats,
copper was about 2x higher than the RfD, 1.5x too high for Iron, 3x for nickel, 3-20x too
high for chromium, and 5-8x too high for cadmium. Further research will aim to evaluate
more samples and metals.
CHED 256
Correlation of logD(Oct) and chromatographic logk' values for the catechol
flavones
Josh D. Hernandez, whaley@tarleton.edu, Chin Yeow, Katie Loving, Hannah Sigal,
Margaret J. Risher, William L. Whaley.Chemistry, Geosciences and Environmental
Science, Tarleton State University, Stephenville, Texas 76402, United States
The flavones represent a class of natural products that are contained in fruits and
vegetables. These compounds function as anti-oxidants to protect cells from reactive
oxygen species (ROS). The ortho-dihydroxy group, also called a catechol group, is one
of the structural features of flavones that confer high radical scavenging activity. The
presence of a catechol group increases the polarity of flavones and this may affect
membrane permeability. The logarithm of the octanol/water partition coefficient, or
logP(Oct), is a descriptor that is an index of the hydrophobicity of a molecule. For
flavones, it is more appropriate to measure distribution coefficients, or logD(Oct) values,
because the hydroxyl groups of several catechol flavones have pKa values less than
9.0. The distribution coefficient was determined using 1-octanol equilibrated with MOPS
buffer (pH=7.4) in the aqueous phase. For a group of related compounds, the values of
logD(Oct) have often been correlated to the logarithm of the chromatographic retention
factors (logk' values) to verify their accuracy. Each catechol flavone including 7,8dihydroxyflavone (7,8DHF), 6,7-dihydroxyflavone (6,7 DHF), 5,6-dihydroxyflavone
(5,6DHF), 2',3'-dihydroxyflavone (2',3'DHF) and 3',4'-dihydroxyflavone (3',4'DHF) were
assayed by the shake-flask method to determine the value of logD(Oct). The values of
LogD(Oct) were correlated with values of Logk' that were determined using an
octadecylsilane (C-18) stationary phase and a polar mobile phase. A good correlation
with an R2 value of 0.93 was observed. The compound 3,2'-dihydroxyflavone (3,2'DHF)
was also included in the study because it has exhibited some of the physical and

chemical properties that are typical of true catechol-flavones. Nuclear magnetic


resonance spectroscopy was used to demonstrate that this compound can exist in two
different conformations that allow it interact with either polar or non-polar solvent
molecules. (This research was supported financially by the Welch Foundation
Departmental Research Grant Program, the Tarleton Organized Research Program,
and the Tarleton REAL Program.)
CHED 257
Quantification of urea in a controlled-release fertilizer
Joshua L Neeper, jneeper@citadel.edu, Ron E Hemingway, Frederick F Shriner, IV,
Blakely M Adair.Department of Chemistry, The Citadel, Charleston, South Carolia
29409, United States
Nitrogen is one of three macronutrients commonly used in plant fertilizer; the other two
being phosphorous and potassium. The focus of this experiment was to determine the
rate of release of a newly formulated controlled-release solid formulation of nitrogen
containing urea fertilizer, after having been exposed to soil over a specified period of
time. The fertilizer pellets varied in size and urea content. The desired outcome was a
slow and uniform reduction of urea in the fertilizer pellets over time. Multiple
concentrations and sizes of fertilizer pellets were analyzed. UV-visible spectrometry was
employed to determine the concentrations of nitrogen from urea by comparing its
absorbance at 470nm against a set of urea nitrogen standards. The results show that
the expected concentrations before the fertilizer was applied to the soil are accurate.
The nitrogen concentrations in some post application samples are inconsistent with the
preliminary mass difference data.
CHED 258
Antioxidants and polyphenol activity: It's getting hot
Kimberlee Daus, Dviti P Mody, dviti.mody@pop.belmont.edu.Department of Chemistry,
Belmont University, Nashville, Tennessee 37212, United States
In the past three decades research regarding antioxidant activity has gained attention.
Antioxidant, found abundantly in fruits, can reduce oxidative damage that is caused by
free radicals. Antioxidants safely interact with free radicals to terminate the chain
reaction before vital molecules like DNA are damaged. Polyphenols are a type of
antioxidant that have great abundance in our diet and help with prevention of cancer
and cardiovascular diseases. The aim of this research is to investigate the effect of heat
on the activity of polyphenols in fruits such as blueberries, apples and grapes. The
polyphenolic activity of the fruits was tested using the TEAC test and DPPH assay. The
anticipated results should indicate an increase in polyphenolic activity of these fruits,
and thus, an increase in nutritional value.

CHED 259
Dissolution of cellulose with Fe-containing magnetic ionic liquids
Stephanie A Hall, sahall@go.olemiss.edu, Clint W Williford.Department of Chemical
Engineering, University of Mississippi, Oxford, Mississippi 38655, United States
The focus of this project is to determine the effectiveness, in the preprocessing of
biomass, of a magnetic ionic liquid 1-butyronitrile-3-methylimidazolium tetrachloroferrate
(nbmim[FeCl4]) as a catalyst. Lignocellulose is a promising starting material for
bioproducts, ranging from biofuels to specialty chemicals; however, lignocellulose is
resistant to enzymatic degradation. Various biomass-preprocessing techniques such as
mechanical, microbial, and chemical pretreatment are used for increasing the
digestibility of biomass to sugars for ethanol production. A variety of ionic liquids have
demonstrated the capability to degrade lignocellulose. However, after degradation
separation of biomass and ionic liquids has proven to reduce the economic potential of
this pretreatment process. The addition of magnetic properties to the ionic liquid can be
used to stabilize the ionic liquids and prevent its loss or other unfavorable fluid/fluid
interactions in the bioreactor. Therefore, overcoming separation is an important priority
for the progress of the lignocellulosic biorefinery concept.
CHED 260
WITHDRAWN
CHED 261
Expressed sequence tag for DNA polymerase alpha
Rebecca Krewer, krewerr@uni.edu, Ira Simet.Department of Chemistry and
Biochemistry, University of Northern Iowa, Cedar Falls, Iowa 50613, United States
Replicative DNA polymerases have a role in the control of DNA synthesis and are
potential targets for stopping unregulated cell growth, such as cancer. DNA polymerase
alpha, which assembles RNA primers and initiates replicative synthesis, represents a
model enzyme in the study of this control. This enzyme is composed of a priming
subunit, a catalytic subunit, and two structural subunits. Several primers developed from
known enzyme gene sequences have been used to identify an expressed sequence tag
(EST) in the catalytic subunit of the enzyme in embryonic chicken brain. The sequence
of the EST matches a published chicken genomic DNA sequence. This EST will be
used in real time PCR to help quantitate DNA polymerase alpha catalytic subunit mRNA
under various growth conditions.
CHED 262

2-Octadecynoic acid displays antineoplastic activity against neuroblastoma via


lactate dehydrogenase release
Gabriel A Cintrn, gabrielcintron@me.com, Elsie A Orellano, Nstor M
Carballeira.Department of Chemistry, University of Puerto Rico Ro Piedras Campus,
San Juan, Puerto Rico 00931-3346, Puerto Rico
Recently, our research work demonstrated that the 2-octadecynoic acid (2-ODA)
displays antineoplastic activity, against the neuroblastoma SH-SY5Y cell line (EC 50 =
26.0 2.0). Moreover, we found that the 2-ODA is an inhibitor of the human
topoisomerase IB enzyme, a possible intracellular target for this fatty acid. To further
characterize the cell death response by 2-ODA we assessed caspase-3 activation and
lactate dehydrogenase (LDH) release. We found that 2-ODA promoted LDH release,
which is a cell death mechanism principally associated to necrosis. Thus, 2-ODA
promotes cancerous cell death by a death mechanism independent of caspase-3
activation, but dependent of LDH release. For this reason, our results suggest a specific
mechanism of action for 2-ODA through cell membrane breakdown. 2-ODA could be the
first of many such class of novel acetylenic fatty acids with antineoplastic activity. Our
research work highlights a fundamental step forward towards the eradication of cancer.
CHED 263
Comparison of insulin and insulin-like receptors from bean beetles and mammals
Shawn Mercer, jmerk85@gmail.com, Richard Singiser.Department of Natural
Sciences, Clayton State University, Morrow, GA 30260, United States
Previous studies have been completed on bean beetles and morphological changes.
These studies identified changes in morphology related to growth on different mediums.
Current work is aimed at determining the biochemical effects the insulin-like receptors
may cause, leading to morphological changes. Using this knowledge, experiments to
isolate the bean beetle insulin-like receptor will be completed. After isolation,
comparisons between the insulin-like receptor of bean beetles and the mammalian
insulin receptor can be made using ligands specific to both the mammalian insulin
receptor and bean beetle insulin-like receptor. Both conserved and divergent residues
will be identified in this comparison leading to focal points for further studies. These
conservative and divergent areas should help identify regions related to control of the
morphological changes observed in bean beetles. In addition, study of these areas in
the insulin-like receptor could present knew knowledge about the workings of the
mammalian insulin receptor.
CHED 264
Study of secondary structure of cpTat system component, Tha4, by EPR
spectroscopy

Karolin Emia Ginting1, gintinke@muohio.edu, Amanda Storm1, Carole DabneySmith1,2. (1) Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States (2) Cell, Molecular and Structural Biology Program, Miami
University, Oxford, Ohio 45056, United States
Chloroplast Tat (twin arginine translocation) pathway is responsible for transporting fully
folded precursor proteins into the thylakoid lumen using only the proton motive force for
energy via the assembly and activity of three membrane-bound components: Tha4,
Hcf106, and cpTatC. The arrangement of Tha4 in the membrane has significant
implications on how it could function during translocation, yet little is still known about its
oligomer organization. As a prelude to structural studies of the Tha4 oligomer, we
present the secondary structure of Tha4 in the membrane as determined using sitedirected spin labeling electron paramagnetic resonance (SDSL EPR) spectroscopy.
Single cysteine substitution is introduced in various positions of Tha4 through primerbased mutagenesis and subsequently labeled with a nitroxide spin label. Integration of
this protein to synthetic lipid membranes was subjected to power saturation and
continuous wave EPR (CW-EPR) experiments. These methods allows us to more
accurately map the transmembrane domain of Tha4.
CHED 265
Single base changes in DNA discriminator show large effects on transcription
initiation thermodynamics
Stephanie Chong-Macias1, chongmac@student.uiwtx.edu, Emily Ruff2, Noah Bown2,
Tom Record2. (1) Department of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States (2) Department of Biochemistry, University of
Wisconsin-Madison, Madison, WI 53706, United States
Transcription initiation occurs in a several-step mechanism, whereby RNA polymerase
(RNAP) recognizes and binds to DNA and forms an opened RNAP-promoter complex
(RPo). We aimed at determining which of the interactions occurring between RNAP and
DNA promoter affected RPo complex formation the most. DS4 and DS5 variants were
studied. They differed in length by two base pairs of a phage promoter PR (DS4 and
DS5: 8 base pairs; PR: 6 base pairs), and varied in sequence from each other at one
base pair position. To determine if such discriminator variations cause any effect on RPo
stability, various filter binding dissociations were performed at different temperatures
and a permanganate footprinting reaction was performed for both variants. Through
these experiments it was seen that the change between PR and DS4 only affected the
lifetime of open complex, while the variations in DS5 also caused large and surprising
effect on the system's thermodynamics.
CHED 266
Identification of proteins that interact with the arabidopsis SYN3 cohesin protein

Dirk Auman, aumandb@muohio.edu, Yuan Li, Kayla Zehr, Christopher


Makaroff.Department of Chemistry and Biochemistry, Miami University, Oxford, OH
45056, United States
The cohesin protein complex is vital for holding sister chromatids together during cell
division. In Arabidopsis thaliana, -kleisin proteins are the connectors of two structural
maintenance proteins in the cohesin complex. The four -kleisin proteins found to be
vital to sister chromatid cohesion in Arabidopsis thaliana are SYN1, SYN2, SYN3, and
SYN4. The behavior of SYN3 was examined in previous research, and it was found not
to aggregate around chromosomes in the way SYN1, SYN2, and SYN4 do; instead, its
predominant localization in the nucleolus lead to the hypothesis that SYN3 is involved in
transcriptional regulation. By employing a yeast two-hybrid assay to screen for SYN3interacting proteins and using subsequent co-immunoprecipitation and western blotting
to confirm the potential interactions, SYN3's putative role in transcriptional regulation
was investigated. SYN3 was ultimately shown to interact with a number of known
transcription factors, suggesting a regulatory function in gene expression for the protein.
CHED 267
Studies towards the development of a colorimetric method for determination of
bacterial concentration
Alaina N. Nunn, annunn@svsu.edu, Stephanie A Brouet, Tami L. Sivy.Department of
Chemistry, Saginaw Valley State University, University Center, MI 48710, United States
The synthesis of a cephalosporin that could lead to the development of a new
colorimetric test for bacterial concentration is described. This highly conjugated
compound contains a strained four-membered ring, which is readily opened upon attack
of -lactamase, causing the release of the compound's 3-substituent (2mercaptopyridine-N-oxide). The release of the 3-substituent is important because it
forms a violet-colored complex with Fe, allowing for a colorimetric method for
determining bacteria concentrations to be developed. Without the -lactamase
produced by bacteria there would be no release of the 3-substituent, and hence, no
color change. Therefore, a correlation may be made between the intensity of the violet
color and the concentration of bacteria present. The color changes will be followed
quantitatively by measuring changes in absorption using UV-VIS, and this data will then
be used to form a calibration curve which will show the relationship between bacteria
concentration and the color change's absorptions.
CHED 268
Structural studies of CTCF
Lyanne M Gomez-Rodriguez1, lyanne.marie@live.com, Ronen Marmorstein2, Jasna
Maksimoska2. (1) Department of Chemistry, University of Puerto Rico, San Juan,

Puerto Rico 00931, Puerto Rico (2) Department of Biochemistry and Biophysics,
University of Pennsylvania, Philadelphia, Pennsylvania 19104-6059, United States
CCCTC-binding factor (CTCF) is an ubiquitous, 11 zinc finger (ZF) protein that binds to
many sites in the genome and is an important regulator of different cellular processes
essential for normal cellular development. It is known that CTCF binds to DNA through
its 11 ZF binding region, however molecular details and role of individual fingers in that
interaction are not known. To reveal the mechanism for DNA binding specificity by
CTCF, we aim to determine the crystal structure of relevant CTCF - ZF domain in
complex with target DNA sequence. For this, the protein will be expressed in bacterial
cells and purified to homogeneity. Purified protein alone and in complex with DNA will
be exposed to various crystal screening conditions to obtain crystals. Once we have
crystals, x-ray diffraction data will be collected in order to solve the structure of CTCF
and CTCF/DNA complex.
CHED 269
Stability of native state beta2-microglobulin
Laylee E. Ghafar, lghafar09@austincollege.edu, Stephanie Gould, John M.
Richardson.Department of Chemistry, Austin College, Sherman, TX 75090, United
States
2-microglobulin (2m) is a small, 99 residue protein, is a major component of the
formation of amyloid fibrils in dialysis-related amyloidosis-a disease associated with
renal failure and the deposition of insoluble amyloid fibrils in the musculo-skeletal
system. This research is focused to understand the mechanism behind the formation of
amyloid fibrils, which includes the analysis of the unfolding transition of 2m. To
determine the free energy, G, of the native state, the conformational transition was
monitored by the use of a chemical denaturant, guanidinium hydrochloride (Gdm-HCl).
Unfolding was followed by fluorescence emission of the amino acid tryptophan.
Literature reports differences in G values depending upon identity of chemical
denaturant used. Differences in the unfolding in different denaturants may indicate a
possible mechanism for the identification of the amyloidgenic species. Our preliminary
results showed cooperative unfolding using Gdm-HCl, and gave higher G values then
those previously published in literature.
CHED 270
How does rev regulate retroviral integration in HIV
Tam Vo, tdv26@msstate.edu, Nicholas Fitzkee.Department of Chemistry, Mississippi
State University, Starkville, MS 39759, United States
The catalytic core domain (CCD) of HIV-1 Integrase can shuttle cDNA from the virus to
the host genome. This interaction is strictly controlled by the HIV Rev protein. Rev is

required for successful integration, and the CCD-Rev interaction is a potential target for
new AIDS treatments. Structural details of this interaction remain unclear; without it,
progress in drug development is limited. Recently, a new method has been developed
to make both the Rev protein and the CCD more soluble, facilitating characterization by
biomolecular NMR spectroscopy. We present a simple method for the expression and
purification of the Rev protein. Rev is fused to a Lipoyl domain during expression. This
additional domain resolves the solubility issues that plagued prior work. Rev can then
be purified by Ni-affinity column chromatography, ion exchange, and gel filtration and
characterized spectroscopically. Characterization of the Rev-CCD interaction via NMR
titrations will be also be described.
CHED 271
Synthesis of transition state analogs of the AI-1 synthase RhlI
James Annand, annandjam1@gmail.com, Scott Ulrich.Department of Chemistry,
Ithaca College, Ithaca, NY 14850, United States
Quorum sensing is a bacterial communication system that involves the production and
detection of small signaling molecules called autoinducers. Bacteria sense autoinducer
concentrations to gauge their cell density, and use this information to initiate cell-density
dependent transcriptional changes. The main class of autoinducers are the acyl
homoserine lactones or AI-1 molecules. They are made by LuxI family of AI-1 synthases
and detected by the LuxR family of AI-1 receptors. We aim to design and chemically
synthesize transition state analogs of the P. aeruginosa AI-1 synthase, RhlI. These
molecules will be useful both as potential inhibitors of RhlI as well as ligand for X-ray
crystallography experiments to elucidate the mechanism of RhlI.
CHED 272
tRNA synthetases show extreme features in oral pathogens
Eric Trejo1, trejeri2@isu.edu, Ashley Van-Orden1, Rachel Yomtob2, Vern Winston2,
Caryn Evilia1,2. (1) Department of Chemistry, Idaho State University, Pocatello, ID
83209, United States (2) Department of Biological Sciences, Idaho State University,
Pocatello, ID 83209, United States
tRNA synthetases are essential enzymes that are required for protein synthesis and
evolutionary changes should be evident in their protein sequences.Our lab has found
that extremophile organisms, like Halobacterium, have peptide insertions that confer
increased stability to the tRNA synthetases under extreme conditions. To see if other
potentially extreme organisms might have the same features, we used protein
alignments and computer modeling to find tRNA synthetases that fit a similar pattern.
We found a group of pathogenic organisms (Prevotella intermedia, Fusobacterium
necrophorum, and Porphyromonas gingivalis) whose cysteinyl and arginyl-tRNA
synthetases had peptide insertions around the active site of the enzymes. This leads us

to conclude that peptide insertions may be an adaptation to their extreme


environment. We are currently characterizing these enzymes in an attempt to discover a
novel mechanism of inhibition, which may lead us to a novel therapy for this disease.
CHED 273
Elucidating the enzymatic mechanism of epi-isozizaene synthase
Carina Chittim, cchittim92@gmail.com, Kevin Litwin, kevin.litwin91@gmail.com, Scott
Ulrich.Department of Chemistry, Ithaca College, Ithaca, NY 14850, United States
Terpene cyclases are enzymes that catalyze the formation of terpene natural products
from linear isoprenoid pyrophosphates. The cyclases catalyze carbocation formation of
these precursors followed by complex carbocation chemistry to generate the terpene
hydrocarbon framework. Epi-isozizane synthase, which generates the terpene epiisozizaene, has a complex carbocation cascade mechanism and has a known threedimensional structure by X-ray crystallography. However, how it manages the
carbocation chemistry en route to the product remains poorly understood. It is the goal
of our lab to address the question of how epi-isozizaene synthase funnels the reaction
cascade towards its unique product. We seek to synthesize ammonium and sulfonium
analogs of the carbocation intermediates and co-crystallize them with the enzyme.
These co-crystal structures will collectively shed light on the enzymatic reaction
mechanism.
CHED 274
Molecular and cellular characterization of arabidopsis SCC4
Nicole M Fisher, fishern2@muohio.edu, Jessie L Ellis, ellisjl2@muohio.edu, Eric
Wynn, Li Yuan, Christopher Makaroff.Department of Chemistry and Biochemistry, Miami
University, Oxford, OH 45056, United States
Cohesion complexes hold sister chromatids together during mitosis and meiosis and
play a role in DNA repair and transcription. Cohesin binding is dependent upon the
SCC2/ SCC4 adherin complex. Previous studies have shown that inactivation of SCC2
or SCC4 in yeast results in lethality. In humans, SCC2/SCC4 mutations that alter the
expression and/or activity of the proteins result in complex developmental abnormalities.
In this study, the role of SCC4 in the model plant Arabidopsis is being determined. We
have shown that inactivation of SCC4 results in embryo lethality. To better understand
the role of SCC4, particularly during meiosis and mitosis, transgenic plants in which
SCC4 levels are reduced by RNA interference are being generated. Specifically, three
lines of plants will express SCC4 RNAi constructs from the constitutive 35S, inducible
PX7, and meiosis-specific DMC1 promoters. The effect of SCC4 knockdown on
meiosis, mitosis, gamete development, and embryogenesis will be analyzed.
CHED 275

Identifying the interacting partner protiens of cohesin SYN3


Spenser M Pruett, pruettsm@muohio.edu, Kayla R Zehr, Li Yuan, Christopher A
Makaroff.Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States
Cohesins are critical for holding a pair of sister chromatids together before segregation
during cell division, as well as a variety of other processes. The core cohesin complex
consists of 4 proteins: SMC1, SMC3, SCC3, and an -kleisin. In Arabidopsis thaliana,
the 4 -kleisin proteins are SYN1, SYN2, SYN3, and SYN4. SYN3 was found to be
enriched in the nucleolus and is crucial for gametophyte growth. Recent studies have
also shown that SYN3 cohesins in animal cells may have regulatory roles in
transcription. Utilizing the Matchmaker Gold Yeast Two-Hybrid Assay, SYN3 was tested
against a protein library to screen for potential interacting partners. Over 60 proteins
were determined to be candidates for SYN3's interactome. Among these partners were
a number of chloroplast-localized proteins including FTSZ-1: the Arabidopsis homolog
of the bacterial Z-ring protein. These interactions are interesting because SYN3 has
never been shown to have a role in the chloroplast.
CHED 276
Structural characterization of antierior gradient 2 protein and its role in pancreatic
cancer
Amielia G Adams, adamsag@muohio.edu, Shuisong Ni, Michael A.
Kennedy.Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States
The protein Anterior gradient 2 (Agr2) is highly expressed in pancreatic ductal
adenocarcinoma (PDAC), and plays a role in the spread of pancreatic cancer cells.
While Agr2's structure and molecular level role in PDAC remains unknown, the structure
of its homologue Agr3 was recently deposited into the PDB bank. The primary goal of
this study is to better understand the structure of Agr2 through x-ray crystallography and
NMR spectroscopy. To prepare the protein for structural studies, Agr2 was cloned
without its 20 N-terminal amino acid signal peptide (Agr2 d20) and without an additional
N-terminal 30 amino acids because of low sequence complexity and predicted structural
disorder (Agr2 d50). Using bioinformatics, site-directed mutagenesis was also
performed to reduce predicted surface entropy. Crystal trials and preliminary HSQC 15N
labeled NMR spectra of Agr2 d20 were unsuccessful and indicated the protein formed a
dimer in solution. Research with Agr2 d50 will be presented.
CHED 277
Effects of DNA sequence and topology on the binding of heterocyclic diamidine
anti-parasitic agents to DNA examined by restriction enzyme activity assays

Cassandra J. Winkle1, winkles@fiu.edu, Stefanie Suarez1, David W. Boykin2, W. David


Wilson2, Stephen A. Winkle1. (1) Department of Chemistry and Biochemistry, Florida
International University, Miami, Florida 33199, United States (2) Department of
Chemistry, Georgia State University, Atlanta, Georgia 30302, United States
Heterocyclic diamidines have been shown to have anti-parasitic properties. Previous
studies have suggested that these compounds may exhibit sequence selectivity. To
further elucidate the effect of DNA sequence and topology on the binding properties of
heterocyclic diamidines, restriction enzyme activity assays were performed with a mix of
supercoiled and relaxed circular phiX174RF DNAs and the compounds DB75, DB293,
and DB818. Drug to base pair ratios ranged from 0.2 to 7.8 drug/base pair. The results
indicate that altering drug structure leads to sequence and topological specificity in the
binding. Drug effects were shown to vary depending on whether the substrate DNA was
relaxed or supercoiled. With DB818, cleavage by Pst I (CTGCAG) showed partial
enhancement with relaxed DNA and partial inhibition with supercoiled DNA. Together,
these results further delineate the role of drug structure in the sequence and topological
selectivity in the binding of heterocyclic diamidines to DNA.
CHED 278
Retromutagenesis: A novel approach to drug resistance in microorganisms
Michael J. Cargill, saxowstm@plu.edu, Alicia M. James, saxowstm@plu.edu, Tina T.
Saxowsky.Department of Chemistry, Pacific Lutheran University, Tacoma, WA 98447,
United States
In non-dividing cells, such as those subject to drug pressure, the influence of persistent
DNA damage on transcription could affect cellular outcomes. Base damage can be
bypassed by RNA polymerase, resulting in a pool of mutant mRNAs through
transcriptional mutagenesis (TM), and potentially a population of mutant proteins that
could alter the phenotype of the cell. We hypothesize that TM could be an important first
step in acquiring drug resistance, as the mutant protein could allow cells to resume DNA
replication and convert this damage to a permanent advantageous mutation, a process
we call retromutagenesis. Using Saccharomyces cerevisiae as a model organism, we
have established an experimental system to elucidate this process. Furthermore, we
have begun to explore the effects of increasing steady state levels of DNA damage by
either compromising repair pathways or inducing additional damage with UV-A
irradiation.
CHED 279
Three hair mutations, frizzy (fr), frizzy-like (frzl), and retarded hair growth (rhg),
disrupt distinct genes on mouse chromosome 7

Samantha R Hughes, samanthahughes@my.ccsu.edu, Thomas R. King.Department of


Biomolecular Sciences, Central Connecticut State University, New Britain, CT 06050,
United States
The frizzy (fr) mutation has previously been assigned to the Prss8 gene on mouse
Chromosome 7. The retarded hair growth (rhg) and frizzy-like (frzl) mutations also
generate hair defects and map to the same region as fr, but whether they are alleles of
Prss8 or mutations in distinct genes is not known.To discover the genetic relationship
among these mutations, I have crossed all pair-wise combinations of these variant mice
and have shown that all three mutations complement, and therefore must lie in distinct
genes. To identify alternative gene candidates by a positional approach, I have mapped
rhg between markers that flank fewer than 25 genes. One of the genes in this interval,
Fgfr2, is known to be required for normal hair development. But, since mice carrying
both Fgfr2 and rhg or Fgfr2 and frzl are normal, I conclude that neither of these
mutations is a defect in Fgfr2.
CHED 280
Taking back control: Active engagement and enhanced student learning in a
guided inquiry biochemistry laboratory course
Jamila Lee, jlee8@ggc.edu, Nakeya Hudgens, nhudgens@ggc.edu, Candace Timpte,
Gillian Rudd.School of Science & Technology, Georgia Gwinnett College,
Lawrenceville, GA 30043, United States
This project-based laboratory will become a part of the GGC curriculum as it improves
student interest and skills by updating and upgrading the biochemistry laboratory.
Students will experience the isolation and purification of cytochrome c in an
environment where learning is experiential and steeped in investigation. New learning
materials and applications have been developed for the biochemistry laboratory course
that include: (i) the preliminary preparation of cytochrome c from a source; (ii) its
consequential separation from other proteins using liquid chromatography; (iii)
investigating protein assays and applying a standard curve, with construction of a
protein purification table; and (iv) estimating the molecular weight of cytochrome c by
SDS-PAGE. Pre, post and attitudinal studies will contribute to SoTL. This project will
enhance the reality of - and student perception of - how biochemistry is done in the real
world.
CHED 281
Antimicrobial cyclic peptoids inducing transmembrane pore formation in
Staphylococcus aureus
Peter T Smith, pts246@nyu.edu, Mia Huang, Kent Kirshenbaum.Department of
Chemistry, New York University, New York, NY 10003, United States

Antimicrobial peptides (AMPs) are a large class of defense molecules in multicellular


organisms that exhibit broad and potent activity. We investigated the use of Nsubstituted glycine oligomers, peptoids, as AMP mimics with similar low concentration
antimicrobial activities. The mechanism of action of AMPs varies, but many penetrate
bacterial cell membranes leading to leakage and death. Our antimicrobial cyclic
peptoids demonstrate a similar pore-formation mechanism against methicillin-resistant
Staphylococcus aureus. We observed that the minimum inhibitory concentrations of the
peptoids increased with the addition of polyethylene glycol to the cell suspensions,
which protected from a loss of osmotic balance. This decrease in antimicrobial activity
was more significant with larger osmoprotectants indicating that peptoids formed pores
with initial diameters greater than 3.8 nm. Scanning electron microscopy was used to
analyze cell membrane damage after 24 hours of peptoid treatment. These images
revealed extensive membrane deformities and pores reaching over 200 nm in diameter.
CHED 282
Chemical methods for the detection of cysteine sulfenic acid in biological
systems
Travis J Brachtenbach, travis-brachtenbach@utulsa.edu, Justin M
Chalker.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa,
Oklahoma 74104, United States
Regulation of reactive oxygen species is an essential function in cellular health.
Disruption in cellular redox regulation is a hallmark of atherosclerosis, cancer,
neurodegenerative disease, and aging. Therefore, it is critical to monitor the proteins
that maintain redox homeostasis. One such protein residue implicated in cellular redox
maintenance is cysteine sulfenic acid. Yet, despite its putative role as a messenger in
redox regulation, very few methods exist for its real-time analysis. Of the chemical
probes used to detect cysteine sulfenic acid, dimedone is the most widely used reagent.
In this report, we disclose an examination of dimedone selectivity and introduce
alternative probes for the bioorthogonal detection of cysteine sulfenic acid. Applications
in the analysis of oxidative stress are discussed.
CHED 283
Immunotoxic effects of undecafluoro-2-methyl-3-oxahexanoic acid in mouse
models
Blake R Rushing1,2, brushing@catawba.edu, Jamie DeWitt1. (1) Department of
Pharmacology & Toxicology, Brody School of Medicine at East Carolina University,
Greenville, NC 27834, United States (2) Department of Chemistry, Catawba College,
Salisbury, NC 28144, United States
Perfluorinated compounds (PFC) are organic compounds where C-H bonds have been
replaced with C-F bonds. A new PFC named undecafluoro-2-methyl-3-oxahexanoic acid

(U2M3-OHxA) is a potentially less toxic replacement for current PFCs. Immunotoxicity


was tested using C57BL/6 mice that were exposed to 0, 1, 10, and 100 mg/kg of U2M3OHxA by gavage for 28 days. Body and organ weights were recorded and spleens were
used for immunophenotyping. Mice were immunized with sheep red blood cells on day
24 and ELISAs were used to measure the IgM antibody responses. Results showed a
loss in body weight for females in the 100 mg/kg group, increased liver weight for 10
and 100 mg/kg doses, increased thymus weight for the 100 mg/kg males, decreased
splenic weight for 100 mg/kg females, a decrease in the CD45 (B cell) splenic
lymphocytes for males in the 1 and 100 mg/kg dose groups, and no changes in IgM
responses.
CHED 284
Antibiotic delivery from electrospun non-woven mats
Caitlin E. Pegg, caitlin-pegg@utulsa.edu, Amberleana D. Sweeney, Ruya R. Ozer,
Justin M. Chalker.Department of Chemistry and Biochemistry, The University of Tulsa,
Tulsa, Oklahoma 74104, United States
Antiobiotics and other pharmaceuticals containing a basic site can be easily conjugated
to alginic acid through an acid-base reaction. The resulting polymer can then be used to
prepare non-woven mats by electrospinning with a copolymer such as PVA. Presented
here is an examination of antibiotic release from these materials by a simple ion
exchange pathway and its effectiveness in inhibiting bacterial growth. Applications to
wound treatment and pain management are also discussed.
CHED 285
Drug release from electrospun nanofibers by ion exchange: A kinetic analysis
Amberleana D. Sweeney, amberleana-sweeney@utulsa.edu, Caitlin E. Pegg, Ruya R.
Ozer, Justin M. Chalker.Department of Chemistry and Biochemistry, The University of
Tulsa, Tulsa, Oklahoma 74104, United States
Basic drugs and drug-like compounds were loaded onto alginic acid through an acidbase reaction. The resulting polymer solution was electrospun with a PVA carrier
polymer to provide non-woven mats useful for biomedical applications. Presented here
is a kinetic analysis of drug release through an ion exchange mechanism. Application to
wound healing is also discussed.
CHED 286
Modified porphyrins for photodynamic therapy of triple-negative breast cancer

Taylor Neeley, nee49224@OBU.EDU, Jospeh E. Bradshaw, Timothy E.


Hayes.Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998,
United States
Photodynamic therapy (PDT) is a cancer treatment that kills cells using light, but there is
a need for improved PDT drugs. An ideal PDT drug exhibits high toxicity at low
concentrations in the light while showing low toxicity in the dark. It must be soluble in
water but must also demonstrate lipid solubility to cross the cell membrane. Seven new
porphyrin derivatives were compared to Foscan as photosensitizers on triple-negative
breast cancer cells. All were highly effective below 10 M but none as low as Foscan, a
drug in Stage II clinical trials. All exhibited less dark toxicity than Foscan. The
distribution coefficient (logD) and cell uptake were measured for each derivative. No
correlation was observed between logD, uptake and the light and dark toxicities.
Several of these compounds may be candidates for PDT drugs since they are effective
at low concentration but show reduced dark toxicity compared to Foscan.
CHED 287
Synthesis of new RNA bases
Pandora E White1, pandora@students.alcorn.edu, Stephen Woski2. (1) Department of
Chemistry and Physics, Alcorn State University, Alcorn State, Mississippi 39096, United
States (2) Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487,
United States
Although there has been tons of work done on DNA nucleosides, very little work has
been done on RNA nucleosides. The purpose of this experiment was to synthesize a
RNA nucleoside with a carbazole base. The results of the experiments are indicative
that -1-(9-carbazolyl)-ribofuranose has been synthesized.
CHED 288
Effects of sodium fluoride binding on the electrochemical properties of heme
proteins
Margaret H Roeder, megroeder@gmail.com, Danielle N Houchins, Emily J Amendola,
Jacquelyn D Castorino, Andrea L Fritz, Carmen X Guzman, Jose F Cerda.Department
of Chemistry, Saint Joseph's University, Philadelphia, PA 19131, United States
Heme proteins have a wide range of functions. The reactivity of the heme iron is
important in the function of the protein as well as the interaction between the heme
cofactor and the surrounding protein. In our research we use fluoride binding to the
heme iron to understand the behavior of a heme protein in the oxidized state. We have
studied heme proteins such as myoglobin (Mb), hemoglobin (Hb), and horse radish
peroxidase (HRP), all of which contain an important distal histidine which plays a
specific role in each of these proteins. UV/Vis spectroelectrochemical experiments

performed on Mb at various pH show evidence of the protonation of the distal histidine


in the heme pocket of the protein with a pKa of 5.7. Moreover, pH dependence of
fluoride binding to Mb, Hb, and HRP demonstrate ionization of the distal histidine in Mb
and Hb, but not in HRP.
CHED 289
jhp1130 from H. pylori J99 is a HAD phosphatase
Aubree Albert, albert021@connect.wcsu.edu, Anne Roberts.Chemistry, Western
Connecticut State University, Danbury, CT 06810, United States
Helicobacter pylori is a gram-negative bacterium that colonizes the human stomach and
causes gastric ulcers. Although the H. pylori genome has been sequenced, the
functions of many of H. pylori's genes are not yet known. The gene jhp1130 has been
identified as a member of the HaloAcid Dehalogenase (HAD) superfamily. The
presence of three conserved sequence motifs indicates that the jhp1130 protein likely
functions as a small molecule phosphatase. We have cloned, expressed, and purified
the protein and have tested its activity against a variety of small molecule
phosphorylated substrates. The goal of this research is to determine the metal ion
dependence, pH dependence, and the true in vivo substrate and metabolic function of
the jhp1130 enzyme.
CHED 290
What makes Lyme disease tick? Characterization of an essential global regulator
in Borrelia burgdorferi
Elisabeth A Geyer, geyere@my.canisius.edu, Sarah E Evans.Department of Chemistry
and Biochemistry, Canisius College, Buffalo, NY 14208, United States
Caused by the bacteria Borrelia burgdorferi, Lyme disease is the fastest growing and
most common tick-borne illness in the United States. Vital to the survival of B.
burgdorferi in ticks and vertebrates, Borrelia oxidative stress regulator, BosR, is a
regulatory transcription factor that functions to activate and repress nearly 80 genes,
including genes for DNA protection from damage during starvation or oxidative stress
and control over the expression of outer membrane proteins. To-date, little has been
discovered about the important role and types of metal ions that are thought to function
in the regulatory pathway of BosR. In this work, focus is placed on the preparation,
purification and characterization of the protein, as well as initial analysis of BosR by
metal binding titrations with UV-Visible spectroscopy. Electromobility shift assays and
fluorescence anisotropy assays are also analyzed to investigate DNA binding properties
and possible classification of a Bos box.
CHED 291

Metabolic regulation of terpenoid biosynthesis in rhodospirillum rubrum


Brittany Hemelgarn, BHemelgarn08@winona.edu, Francis Mann.Department of
Chemistry, Winona State University, Winona, MN 55987, United States
Rhodospirillum rubrum is a bacterium that has the metabolic versatility to produce
energy through four different pathways: fermentation, photosynthesis, nitrogen-fixation
and cellular respiration.R. rubrum can synthesize terpenoids that are utilized in energy
production and other cellular functions. Different terpenoids are produced depending on
what energy the environment provides which indicates that the biosynthetic gene
expression differs in different metabolic conditions. Only four non-carotenoid synthase
terpenoid biosynthetic genes exist in the R. rubrum genome. Our goal is to study the
function and expression of these genes that are involved with the biosynthesis of
terpenoids. Understanding the metabolic process of R. rubrum will assist in improving
the efficiency of modern-day cyanobacteria and lower the cost of engineered molecules.
CHED 292
Determination of lachesin as a cell surface receptor protein for flock house virus
using gateway cloning in Saccharomyce cerevisiae
Jason Blanks, jblanks@ups.edu, Amy Odegard.Department of Chemistry, University of
Puget Sound, Tacoma, WA 98406, United States
The simplicity of the Flock House virus (FHV) capsid and genome, along with the wealth
of available structural information, make FHV an excellent model system for studying
viral infection. Lachesin, a receptor protein in Drosophila, has been proposed as the
receptor protein required for FHV to infect Drosophila. Still, no conclusive evidence
demonstrating FHV binging to lachesin has been presented. In my research, I will use
Gateway cloning to demonstrate that a) lachesin does bind FHV and b) lachesin is
necessary for FHV infection. Once the receptor protein for FHV is determined, the
interactions between FHV and the receptor can be characterized. This will lead to a
better understanding of how FHV and other non-enveloped viruses, that cause serious
human disease, infect host cells.
CHED 293
Evidence for the role of a novel histone mark in hippocampal neurogenesis
Anna Weinstein1,2, annaw929@gmail.com, Miriam E.R. Baker2, Christina M. Hughes3,
David Allis3, Bruce S. McEwen2, Richard G. Hunter2. (1) Stern College for Women,
Yeshiva University, New York, NY 10016, United States (2) Laboratory of
Neuroendocrinology, The Rockefeller University, New York, NY 10065, United
States (3) Laboratory of Chromatin Biology, The Rockefeller University, New York, NY
10065, United States

Epigenetics is the study of processes that regulate gene expression without altering the
actual DNA sequence. Entailed in such processes are various modifications, which
impact the genome while preserving nucleotide sequence. Since epigenetic information
is often contingent on something as transient as stress, it is said to be susceptible to
environmental conditions, making it an important link in broadening our understanding
of how the environment impacts physiological function. Studies have shown that stress
decreases neurogenesis in the hippocampal region. In order to examine the effects of
chronic stress on the putative mitotic histone mark H3 Serine 57 phos (H3S57p), we
performed a series of Light Immunocytochemistry (ICC) protocols on hippocampal
sections from wild type and stressed mice. The results so far indicated a lower level of
the H3S57p mark in the stressed hippocampal sections, indicating the possibility that it
is indeed a mitotic marker affected by chronic restraint stress.
CHED 294
Comparison of breast cancer and osteosarcoma secretomes and lysates using
LC-MS/MS
Crystal L Daniels1,2, cldaniels@email.shc.edu, Lewis K Pannell2. (1) Spring Hill
College, Mobile, AL 36608, United States (2) Mitchell Cancer Institute, University of
South Alabama, Mobile, Al 36604, United States
A study of the secreted proteins, the secretome, can provide insight into what proteins
are functioning in the microenvironment of a cell. Secretome studies have the potential
to identify more specific biomarkers than that of serum protein studies, due to the
proximity of the sample. Secreted proteins are present in relatively low abundances and
are easily masked by cytosolic and serum proteins. Secretome isolation is vital for using
the secretome as a source for biomarker discovery. Comparison of secretomes to
lysates helps to assess the effectiveness of the collection method at limiting protein
contamination. MBA-MD-231Her2 secretome analyses revealed that approximately
56% of the proteins identified were secreted via the non-classical or classical method.
Comparatively, 52% of proteins were identified as being secreted by the U2OS cell line.
The method used was effective in isolating the secreted proteins and limiting the
amount of intracellular and serum protein contamination.
CHED 295
Species and growth optimization of algal biofuel feedstocks
Brynn Umbach, sweet@usna.edu, Erin Gehlhausen, Charles R. Sweet.Department of
Chemistry, United States Naval Academy, Annapolis, MD 21402, United States
To develop algal feedstocks with enhanced biofuels potential, we examined the lipid
content of extremophilic algae, including novel strains isolated by winter bioprospecting
of the Chesapeake Bay. To assess the potential of these algae, we examined them in
comparison to the model organism Chlorella. The algal fatty acid profiles, characterized

from hydrophobic Bligh-Dyer extracts by FAME (fatty acid methyl ester) GC-MS, show
similarities to other algae but also significant differences which may result in favorable
fuel characteristics. These differences include an unusual acyl population in the
acidothermophile Galdieria sulphuraria, which contains unsaturated and
polyunsaturated 20-carbon fatty acids. In addition we have compared the lipid content of
these organisms under a variety of growth conditions and lipid isolation techniques, and
have also used MALDI-TOF mass spectrometry to examine the total lipid composition of
these algae and gain a more comprehensive understanding of their lipid content.
CHED 296
Analysis of volatile organic compounds in the desert shrub Larrea tridentata
(creosote bush)
Luis Alcala, maryk@stedwards.edu, Mary A. Kopecki-Fjetland.Department of
Chemistry, St. Edward's University, Austin, TX 78610, United States
Larrea tridentata, creosote bush, is a desert shrub found in dry, arid regions of North
America, and the most common desert shrub in the Southwest. This drought resistant
woody perennial becomes part of the main source of food for mammalian herbivores
during the dry season. The leaves and berries of L. tridentata produce and emit
phytogenic volatile organic compounds (PVOC) which may have an effect on the
grazing patterns of desert herbivore populations. This research aims to analyze the
exact PVOC profile of L. tridentata. To date identified PVOCs include limonene,
camphor, alpha-cedrene, AR-curcumene and (E)-nerolidol. Current research is focusing
on identifying additional PVOCs contained in L. tridentata using sold-phase
microextraction (SPME), gas chromatography-mass spectrometry, and retention
indices.
CHED 297
Black band disease (BBD): Pigment characterization and reactive oxygen species
(ROS) production and evolution assay development
Kymberlee A Osborne1, KymberleeA.Osborne@gmail.com, Kathleen Rein1, Miroslav
Gantar2, Martin Quirke1, Ian Campa3, Laurie Richardson2. (1) Department of Chemistry
and Biochemistry, Florida International University, Miami, Florida 33199, United
States (2) Department of Biology, Florida International University, Miami, Florida
33199, United States (3) Department of Chemistry, Columbia University, New York,
New York 10027, United States
Reefs are integral to world economies contributing to food sources and tourism of
coastal communities, serving as nurseries and habitats for marine life, and as a source
of oceanic photosynthetic activity. Black band disease (BBD) is a cyanobacterial
dominated polymicrobal disease, killing framework building coral. This investigation
focused on characterizing major pigments of some BBD cyanobacteria, including

identifying and quantifying pigments contributing to the dark, or black, appearance of


BBD. BBD cyanobacterial pigments identified were compared with that found in nonBBD cyanobacterial strains. Additionally, we investigate the production of reactive
oxygen species (ROS) by BBD cyanobacteria. Pigment analysis points to chlorophyll a,
pheopytin a, phycocyanin, and phycoerythrin. Since some photosensitize, cells exposed
to solar irradiation should produce and excrete ROS. Initial ROS analysis indicates that
cellular ROS production and evolution occurs at a higher rate in cyanobacterial cells
that have been subjected to solar irradiation relative to dark controls.
CHED 298
Detection of caspase 3 activity in Chinese hamster ovarian cells after treatmeant
with Morinda citrifolia (Noni) extract
Nicole M. Yordn-Lpez, nicoleyordan@pucpr.edu, Lizette Santos-Santori.Department
of Chemistry, Pontifical Catholic University of Puerto Rico, Ponce, Puerto Rico 00717,
Puerto Rico
Apoptosis is a genetically controlled process by which a cell dies naturally. It is initiated
through activation of effector Caspases 3/7. Morinda citrifolia is used as a dietetic
supplement because of its antioxidant, anti-inflammatory and hepatoprotective
properties. Noni shell extracts, aqueous and organic, and pulp extract were prepared.
CHO cells were cultured. After treatment with the plant's extracts for a 96-hour period, a
colorimetric substrate was applied and incubated for four hours at 37C. Absorbance
measurements were determined. Preliminary results were 0.00050 pmol/L for pulp,
0.00480 pmol/L aqueous extract, and 0.0100 pmol/L for organic extract. Results
suggest organic extract from Noni shell had and inductive effect on Caspase 3 activity.
Other assays will be conducted to verify these results and establish specific
conclusions.
CHED 299
DNA phosphate crowding correlates with protein cationic side chain density and
helical curvature in protein/DNA crystal structures
Bryce Grant, Jayme Arameda, JARANEDA1@CUB.UCA.EDU, Madison Throneberry,
MTHRONEBERRY1@CUB.UCA.EDU, Elizabeth Dourlain, Lori Isom.Department of
Chemistry, University of Central Arkansas, Conway, AR 72035, United States
DNA flexibility is crucial in many biological functions including protein/DNA recognition,
gene transcription, and DNA packaging inside the cell. This project investigated the
indirect readout relationship between cation-induced phosphate collapse and DNA
bending. Phosphate crowding around high density cationic protein residues in
protein/DNA complexes was considered. In this project, crystal structures of
protein/DNA complexes with resolution of 2.5 or higher were selected from the PDB.
Structures containing DNA breaks and modified bases were excluded. Each structure

matching the criteria was then analyzed and assigned two crowding functions for each
phosphate oxygen: one quantifying each phosphate's crowding with respect to other
phosphates and one quantifying the cation density. The correlation between phosphate
crowding and cation density was calculated for each structure and compared to the type
of DNA distortion present in the complex.
CHED 300
Deletion of the yhfR gene in Bacillus subtilis and its effects on isoprene and
methylbutanol production
Tyler S Beyett, tbeyett@svsu.edu, Tami L Sivy.Department of Chemistry, Saginaw
Valley State University, University Center, MI 48710, United States
Isoprenoids are produced via the mevalonic acid (MVA) and methylerythritol phosphate
(MEP) pathways and are among the most valuable secondary metabolites. Isoprenoids
with medicinal value have proven extremely difficult to synthesize and microbial
production has been complicated due to cell death as a result of the buildup of toxic
precursors in engineered cells. Bacillus subtilis exhibits a greater tolerance towards
these toxic precursors than E. coli, possibly due to the presence of the yhfR gene,
whose enzymatic product is thought to be responsible the detoxification of pathway
intermediates. We replaced the yhfR gene with a spectinomycin resistance cassette,
confirmed by qPCR and sequencing, and have analyzed methylbutanol and isoprene
production in engineered and wild-type cells. Our research aims to determine whether
the enzyme coded for by yhfR plays a role in the conversion of toxic precursors to
volatile compounds that can be released into the environment.
CHED 301
Comparison of coralsnake venom components between individuals
Sloane Zimmerman, kopper@hendrix.edu, Randall A. Kopper.Department of
Chemistry, Hendrix College, Conway, AR 72032, United States
Snakes utilize their venom, a mixture of multiple proteins and enzymes, for protection
and prey acquisition. One of the most toxic enzymes found in coralsnakevenom is
phospholipase A2. In order to investigate the variation in venom composition between
individual coralsnakes, venom samples from 13 coralsnakes were analyzed for total
protein concentration, their electrophoretic protein profile, and their specific
phospholipase A2 enzyme activity. Most previous studies of venom components have
been performed using pooled samples comprised of venom from multiple individuals.
While using pooled venom provides a larger volume of sample to work with, it masks
individual variances. This analysis of venom from 13 coralsnakes demonstrates the
differences between individuals of this species. Preliminary results indicate a significant
inverse relationship between venom volume and total protein concentration. Although

the electrophoretic profiles appear similar, the specific enzyme activities vary
dramatically.
CHED 302
Metal ion cofactor requirements for phospholipase A2
Jessica Hook, kopper@hendrix.edu, Randall A. Kopper.Department of Chemistry,
Hendrix College, Conway, AR 72032, United States
Phospholipase A2 is an enzyme that hydrolyzes glycerophospholipids, cleaving free
fatty acids from the second carbon on the glycerol molecule. Phospholipase is the main
contributor to the neurotoxicity of snake venoms, such as coralsnake venom. In its
native form, the phospholipase A2 holoenzyme contains calcium as the divalent metal
ion cofactor. In this study, the endogenous calcium ion was removed and other divalent
metals were tested as possible replacements for calcium. Various metals were tested
for their ability to function as a replacement cofactor to activate the enzyme and for their
binding affinity in comparison to calcium. The chelating agent EDTA was used to
sequester the calcium from phospholipase A2, allowing their replacement with other
divalent metals. The results of the study will reveal whether metals other than calcium
can active the enzyme, and through binding competition studies indicate the relative
binding affinity of the enzyme for various metal ions.
CHED 303
Adsorption of snake venom proteins by activated charcoal
Olivia R. Urbanowicz, kopper@hendrix.edu, Randall A. Kopper.Department of
Chemistry, Hendrix College, Conway, AR 72032, United States
Over 7,000 people receive venomous snakebites in the United States each year; one in
five of those are from rattlesnakes. The Diamond-Backed Rattlesnake (C. atrox) venom
contains hydrolytic enzymes including proteases and phospholipase A2 that produce
severe symptoms such as necrosis and paralysis and may be fatal if not treated quickly.
Activated charcoal is currently the most common emergency treatment for ingested
poisons. This study investigates the use of activated charcoal for the adsorption of
rattlesnake venom proteins to reduce hydrolytic enzyme activity. Venom samples were
incubated with increasing amounts of activated charcoal and then centrifuged to remove
the charcoal. The resulting solutions were analyzed by gel electrophoresis, total protein
determination and enzyme activity assay. The results will determine the efficacy of
using activated charcoal as a potential treatment option for snakebites before
emergency medical care is available.
CHED 304
Visualizing the effects of mutations in Scytovirin

Charity Haggenmaker, cbh0007@uah.edu, Robert L. McFeeters.Department of


Chemistry, University of Alabama in Huntsville, Huntsville, Alabama 35899, United
States
The carbohydrate binding protein Scytovirin acts as an antiviral entry inhibitor. Structural
engineering has been used to improve Scytovirin's ability to protect against the HIV-1
infection. 15N-HSQC spectra for Scytovirin and eleven mutant forms were analyzed. The
changes in chemical shift caused by mutating one amino acid were mapped onto the
structure. Resonances were assigned by inspection and categorized by the magnitude
of the chemical shift change. It was determined that mutations in various regions were
more likely to affect the protein core than others. Overall, Scytovirin is structurally
resistant to amino acid changes, opening the possibility of structural engineering to
reduce cost and increase efficacy.
CHED 305
Putative Rhodospirillum rubrum squalene hopene cyclase (A0062)
characterization
Kevin L Vickerman, kvickerman07@winona.edu, Francis M Mann.Department of
Chemistry, Winona State University, Winona, Minnesota 55987, United States
Rhodospirillum rubrum terpene synthase (Rru_A0062) has an unclear function and
activity. Commonly present in bacteria, squalene cyclase converts squalene a triterpene
into a hopanoid. Isoagathenediol a cyclized diterpene component in R. rubrum
membrane is potentially converted from the same synthase. The lack of analysis of the
putative Rhodospirlillum rubrum squalene hopene cyclase (RrSHC) in Rhodospirillum
rubrum ATCC 11170 is the reason for our examination of the bioactivity. RrSHC
putative dual function as a diterpene and triterpene synthase has not been previously
demonstrated. For our examination we utilized cloning and expression RrSHC in
Escherichia coli. The activity of RrSHC was approached with crude lysed cells analyzed
with GC-MS to track product formation in the presence of either geranylgeranyl
pyrophosphate or squalene. A more detailed analysis was attempted on the purified
protein. In this analysis, we cloned, expressed, purified, and determined enzymatic
parameters of the putative squalene hopene cyclase from Rhodospirillum rubrum.
CHED 306
Studies of mTOR and its substrates in Kirsten virus-transformed murine
fibroblasts
Carolina Mendoza, mendozac@southwestern.edu, Kerry Bruns.Department of
Chemistry and Biochemistry, Southwestern University, Georgetown, Texas 78627,
United States

The mTOR signal transduction pathway in Kristen virus-transformed murine embryonic


fibroblast (KBalb) was studied. Regulatory proteins and phosphoproteins associated
with this pathway were identified in different cell fractions and compared to the levels
detected in the parental cell line (Balb 3T3). In KBalb cells, mTOR and its regulatory
proteins (Rictor, Raptor, and GL) appeared to be present at higher levels than Balb
3T3 cells. These regulatory proteins are important in mTOR's interaction with
downstream targets. Sites on mTOR phosphorylated by Akt also appeared to be
different between the two cell lines. Rictor-mTOR complex phosphorylates Akt at Serine
473, which is necessary for the phosphorylation of Akt at Threonine 308 by PDK1 and
its full activation. The increased levels of Rictor and mTOR proteins and the increased
phosphorylation of Akt at Serine 473 and Threonine 308 support this idea that mTOR is
more active in K-ras transformed cells.
CHED 307
Molecular mechanisms underlying the function of the cancer-associated protein,
NURP1: A computational biochemistry study
Raul Urrutia1, Gabriel Velez1,2, gvelez09@winona.edu, Marisa Lin1, Gwen Lomberk1,
Jose Luis Neira3, Juan Iovanna4. (1) Translational Epigenomics Program, Center for
Individualized Medicine, Mayo Clinic, Rochester, Minnesota 55902, United States (2)
Department of Chemistry, Winona State University, Winona, Minnesota 55987, United
States (3) Cell and Molecular Biology Institute Miguel Hernndez, Elche University,
Alicante, Spain (4) Cancer Research Center of Marseille, Institute Paoli-Calmettes, AixMarseille University, Marseille, France
NURP1 is protein that plays critical roles in cancer development, progression, and
resistance to therapy. Its mechanism of action is postulated to rely on its ability to
undergo cytoplasmic-to-nuclear translocation, bind DNA and regulate gene expression.
NURP1 binds to DNA in vitro and regulates gene expression networks in vivo. This data
has guided efforts to solve the structure of DNA-bound NURP1 in order to develop
models to guide the design of drug inhibitors. Previous studies have suggested that
NURP1 may be a member of the High Mobility Group of chromatin proteins, but have
not provided a model of the NURP1-DNA complex. Here we report the first structural
models for both the large and small form of NURP1. Our results show that NURP1s
share characteristics yet are distinct from their closely related homolog. These models
should be taken into consideration when designing small drugs aimed at controlling the
function of NURP1s.
CHED 308
Effect of Morinda citrifolia on the erythromicyn-N-demethylase and cytochrome
P450 activity
Maria del Mar Morales1, mary31_19@hotmail.com, Lizette Santos-Santori2. (1)
Deparment of General Science, Pontifical Catholic University of Puerto Rico, Ponce,

Puerto Rico 00717, Puerto Rico (2) Deparment of Chemistry, Pontifical Catholic
University of Puerto Rico, Ponce, Puerto Rico 00717, Puerto Rico
Morinda Citrifolia also known as Noni has a long history of use as a medicinal plant
because of its antioxidant, anti-inflamatory and hepatoprotective properties. To
determine Noni effect in Cytochrome P450 isoenzymes, aqueous and organic
extractions from the seeds and the skin were prepared. Extracts were analyzed by
HPLC. CHO cells were treated for 48 hours. Microsomes were prepared. Protein and
erythromicyn-N-demethylase assays were perfomed. Enzyme activity was determined
to establish the effect of Noni in the system. Results showed a low concentration of
protein in the experimental groups: 0.0306g/ml (pulp), 0.0306g/ml (aquous skin
extract) and 0.0305 g/ml (organic skin extract). Results from the erythromicyn-Ndemethylase assay showed no activity. Results suggest a decrease in activity.
CHED 309
Structural and functional determination of the polysaccharide deacetylase
BC0361
Elitsa I Stoyanova, estoyan1@ithaca.edu, Kathryn E Cole.Department of Chemistry
and Biochemistry, Ithaca College, Ithaca, New York 14850, United States
The gene bc0361 encodes for a polysaccharide deacetylase, which is part of the
carbohydrate esterase family 4 (CE 4). All members of this family share a conserved
(/)8 barrel fold and a divalent metal ion (most commonly zinc) associated with the
active site. This particular enzyme helps bacterial cells become invisible by removing
the acetyl groups from membrane sugars, which are recognized by the host immune
macrophages. Inhibition of this enzyme would disable the defensive mechanisms of the
bacteria, which is a possible route for antibiotic drug development. Crystals of the native
protein have been obtained, and crystallization of enzyme-inhibitor complexes is
currently in progress.
CHED 310
Structural elucidation of histone deactylase 8 with "linkerless" hydroxamic acid
inhibitors
Rochelle J. Frankson, rfranks1@ithaca.edu, Kathryn Cole.Department of Chemistry
and Biochemistry, Ithaca College, Ithaca, NY 14850, United States
Histone deacetylases (HDACs) catalyze the deacetylation of both histone and nonhistone proteins. The catalysis of this reaction is critical to many cellular processes such
as cell differentiation, senescence, and apoptosis. As such, aberrant HDAC activity is
linked to the proliferation of certain diseases such as cancer, validating the use of
histone deacetylase enzymes as targets for drug design. Two HDAC inhibitors,
suberoylanilide hydroxamic acid (SAHA), and Romidepsin have already been approved

for use as cancer chemotherapy agents while several others are under clinical trial.
Numerous small molecules have been developed to inhibit HDAC8. Included in this
array are 'linkerless' hydroxamic acids that present potencies on the micromolar scale
(IC50: 0.3 mM 66.0 mM). Here, we report the findings of the enzyme-inhibitor structural
investigation of six of these hydroxamic acid inhibitors.
CHED 311
Small molecules as potential regulators of quorum sensing
Nicholas Dragotakes, ndragot1@ithaca.edu, Emily Garcia Sega.Department of
Chemistry, Ithaca College, Ithaca, New York 14850, United States
Quorum sensing (QS) is a population-density dependent form of inter-cellular bacterial
communication. Pseudomonas aeruginosa uses QS to coordinate pathogenic
aggression against hosts whose immune systems have already been compromised.
The natural acyl homoserine lactone (AHL) autoinducer of P. aeruginosa binds to the
LasR receptor, activating transcription of virulence genes. Variations within the acyl
chain of AHL autoinducers has been extensively researched. Recently, a triphenyl
scaffold, which is structurally unrelated to the natural AHL autoinducer, has shown
binding capability to LasR. We sought to design new QS regulators which incorporate
modifications of both the triphenyl and acyl substituted scaffolds. The synthesis of these
compounds takes advantage of a modular synthetic route and aims to further explore
the interactions within the LasR ligand binding domain. Synthesized compounds are
then analyzed for QS regulation in a LasR GFP reporter assay.
CHED 312
Identifying proteins that bind to UBE2Q2 and exosome component 7
Crista E. Riggs1, rig48688@obu.edu, Kimberly Hammock2, David F. Crawford2. (1)
Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998, United
States (2) Department of Pediatric Hematology and Oncology, University of Oklahoma
School of Medicine, Oklahoma City, OK 73104, United States
Proteins that regulate mitotic checkpoint function are highly important in cancer
research. Mitotic checkpoints are essential to normal cell cycle regulation, and they
allow cells to correct threats to genomic integrity in order to decrease the risk of
developing malignancies. UBE2Q2 is an ubiquitin-conjugating enzyme that is thought to
antagonize an early mitotic checkpoint in HeLa cells. It is predicted that UBE2Q2 overexpression promotes the development of malignancies. When the expression of
UBE2Q2 is inhibited, cells become more sensitive to treatment with chemotherapy
agents and become suspended in prometaphase, causing apoptosis to occur. Previous
studies concluded that another protein, Exosome Component 7 (ExoC7), interacts with
UBE2Q2. Both epitope-tagged UBE2Q2 and ExoC7 were expressed and affinity
purified, and putative UBE2Q2- and ExoC7-binding proteins were found. These proteins

could be essential to developing new cancer therapy drugs and useful for better
understanding the role of mitotic checkpoint function in cancer.
CHED 313
Effect of chironja on cytochrome P450 system of CHO cells
Natalia S Fernndez Dvila1, nsfdez@gmail.com, Lizette Santos2. (1) Department of
Biology, Pontifical Catholic University of Puerto Rico, Ponce, Puerto Rico 00717, Puerto
Rico (2) Department of Chemistry, Pontifical Catholic University of Puerto Rico, Ponce,
Puerto Rico 00717, Puerto Rico
Previous investigations agree that different isoenzymes from the Cytochrome P450
System can be affected by a variety of compounds present in grapefruit. 'Chironja',
being a hybrid between orange and grapefruit, can probably interact with the
Cytochrome P450 System. Extractions from the fruit and the skin were performed. The
extracts were analyzed by HPLC and CHO cells were treated for 48 hours with the
chironjas' extracts. Microsomes for each group were prepared. Protein and
erythromycin N-demethylase assays were performed. Protein concentration and ERDN
activity were higher in the sample treated with the aqueous extract with values of
0.0401g/ml and 3.399nmol/min/mg respectively. Further studies are being conducted
in order to establish the effect of the different Chironja's extracts on the isoenzymes.
CHED 314
Exploring cutting edge biotechnology: A cloning blueprint of serine
carboxypeptidase II
Perouza Parsamian, maryk@stedwards.edu, Mary A. Kopecki-Fjetland.Department of
Chemistry, St. Edward's University, Austin, TX 78704, United States
Serine Carboxypeptidase II (SCP) is a proteolytic enzyme that cleaves the C-terminal
residue of polypeptides and is primarily found in species of yeast, more specifically
Sacchromyces cerevisiae. SCP contains a catalytic triad consisting of histidine,
aspartate, and serine. A similar enzyme, Serine Endopeptidase, cleaves within the
polypeptide through a catalytic triad analogous to that of SCP. An association to both
structures of enzymes and an alteration to their functions suggest an example of
convergent evolution. To determine this evolutionary phenomenon between two
catalytic enzymes, kinetic studies need to be conducted. SCP from S. cerevisiae was
amplified and ligated into the pGEM-T nonexpression vector. SCP was then reisolated
and ligated into the pET-32C vector. Currently potential clones are being analyzed for
the presence of the SCP gene using restriction endonucleases and sequencing. Future
work includes purification of the fusion protein followed by kinetic studies.
CHED 315

Evaluation of the role of disulfide crosslinkages in lysyl oxidase via site-directed


mutagenesis
Megan A. Smith, meganwillhelm@yahoo.com, Karlo M. Lopez.Department of
Chemistry, California State University, Bakersfield, Bakersfield, CA 93311, United
States
Lysyl oxidase is a copper-dependent amine oxidase that plays an important role in
catalyzing the oxidation of amino groups in the proteins, collagen and elastin. The
catalyzed process results in aldehyde molecules, which is essential in the production of
the crosslinkages in these proteins. There are few studies involving the use of native
lysyl oxidase from bovina aorta, which provides structural properties, specifically the
connectivity of the five-disulfide linkages. The main focus of this study is to investigate
the role each disulfide bond has on lysyl oxidase. A LOX mutant, C238S, was
generated via PCR mutagenesis program. Overexpression of this mutant yielded
16.01mg of enzyme per liter of media. Total copper incorporation is currently being
calculated. There was no catalytic activity for this mutant when compared to the
wildtype. A redox cycling assay was performed, which confirms that a quinone is
present even when one disulfide linkage was removed.
CHED 316
Overexpression and characterization of NusA tagged lysyl oxidase
Madison A Smith, maddiiee2@gmail.com, Karlo M. Lopez.Department of Chemistry,
California State University, Bakersfield, Bakersfield, CA 93311, United States
Lysyl oxidase is a copper-dependent enzyme that plays an important role in the cross
linkages on elastin and collagen in connective tissues and other biological systems. The
crystal structure of LOX has never been observed mainly due to the low solubility of the
enzyme and the high levels of urea required to solubilize the enzyme. Crystallography
cannot be accomplished if urea is present because the concentration of urea is much
greater than that of the enzyme. To increase the solubility of LOX without the use of
urea, the enzyme was co-expressed with a NusA solubility tag and purified using an
aqueous buffer with the absence of urea. Overexpression of this enzyme with the
solubility tag yielded 2.7mg of protein per liter of media. Total copper incorporation was
calculated to be 68%. Average specific catalytic activity was calculated to be 0.1065
units/mg of enzyme.
CHED 317
Model for small heat shock protein inhibition of polyglutamine aggregation
Carley Little, clittle6@stedwards.edu, Eamonn Healy.Department of Chemistry and
Biochemistry, St. Edward's University, Austin, TX 78704, United States

The polyglutamine (polyQ) repeat disease family is a CAG trinucleotide repeat


expansion in the protein-coding region that results in expression of an expanded polyQ
domain. Huntington's disease and the spinocerebellar ataxias (SCAs) are within this
family, where polyQ expansion leads to the formation of fibrillar protein aggregates,
causing neuronal cell death. With a threshold exceeding 52 glutamines, ataxin-3, the
causative agent of SCA3, triggers formation of intranuclear aggregates. B-crystallin is
a small heat shock protein that suppresses SCA3 toxicity, likely by forming a transient
aB-crystallin/ataxin-3 complex. After performing extensive simulations of the interaction
of human B-crystallin and ataxin-3, we predicted an energy-preferred complex; the
bioactive peptides FSVN and HEER were identified through analyzing solventaccessible backbone hydrogen bonds. Using AutoDock to run docking simulations, it
was found that FSVN and HEER complexed with the ataxin-3 much like the human Bcrystallin/ataxin-3 complex, implicating the formation of a weak yet effective transient
complex.
CHED 318
Heme loss in myoglobin and hemoglobin in the presence of fluoride
Danielle N Houchins, dh522596@sju.edu, Brady O Werkheiser,
browerkheiser@gmail.com, Margaret H Roeder, Katherine C McGovern, Victoria C
Angelucci, Jose F Cerda.Department of Chemistry, Saint Joseph's University,
Philadelphia, PA 19131, United States
Myoglobin (Mb) and hemoglobin (Hb) have very similar roles in that both proteins bind
oxygen. The heme-bound oxygen is stabilized through hydrogen bonding from the distal
protonated histidine. We have recently used fluoride ion in our research to understand
the role of the distal histidine in the ferric state of heme proteins. Our study at various
pH shows that the heme-bound protein to heme loss transitions in ferric Mb and Hb
occur at a pKa of 4.5. However, in the presence of fluoride ion, the heme loss transitions
in both of these proteins are shifted to a pKa of 4.2. This shows that the heme-bound
fluoride stabilizes the ferric state by being a better hydrogen acceptor than the water
ligand.
CHED 319
WITHDRAWN
CHED 320
Staphylococcus aureus putative GcpMB protease can cleave specific host
tissues and proteins
Gabriel Spencer1, gabedaman92@aol.com, Marsalis Brown1, Brianna Moncur1,
Conwin Vanterpool1, Kenneth LaiHing2, Elaine Vanterpool1. (1) Department of
Biological Sciences, Oakwood University, Huntsville, Alabama 35896, United States (2)

Department of Chemistry, Oakwood University, Huntsville, Alabama 35896, United


States
Staphylococcus aureus infections have been a growing concern in the medical
community. Some strains of S. aureus are becoming resistant to treatment resulting in
fatalities. Thus, it is imperative that we identify the mechanisms utilized by S. aureus to
induce host damage. In this study, we have identified, cloned, and expressed a putative
Gcp protease of S. aureus. We hypothesize that GcpMB may be associated with
virulence of S. aureus. Purified rGcpMB was incubated with homogenized Fisher 344
rat cardiac, gingival and brain tissues. In addition, rGcpMB was incubated with collagen,
elastin and asioalofetuin. rGcpMB is shown to selectively degrade host gingival
epithelium and cardiac tissues. rGcpMB also degrades/cleaves collagen. Asialofetuin
and brain tissue samples were not degraded or cleaved by rGcpMB. In conclusion, data
from our lab suggests that this putative protease may be associated with virulence of
the organism by selectively degrading host proteins.
CHED 321
Putative GcpMB can interact with virulence factors of Staphylococcus aureus
Ashlea Hendrickson1, ashlea.hendrickson@oakwood.edu, Gabriel Spencer1, Marsalis
Brown1, Brianna Moncur1, Kenneth LaiHing2, Elaine Vanterpool1. (1) Department of
Biological Sciences, Oakwood University, Huntsville, Alabama 35896, United States (2)
Department of Chemistry, Oakwood University, Huntsville, Alabama 35896, United
States
Methicillin-Resistant Staphylococcus aureus (MRSA) infections have been incurable by
many antibiotics. It is imperative that we elucidate the virulence mechanisms of S.
aureus. The virulence factors are capable of causing damage to the host. Other factors
such as chaperones may be needed to assist in host invasion. Previously, we
hypothesize that the putative protease GcpMB may be involved in virulence. The
purpose of this study is to identify the mechanisms of GcpMB and their possible
associations with the virulence factors of S. aureus. Protein interaction studies and
immunoblot analysis show that rGcpMB physically interacts with the serine
protease/chaperone HtrA and cysteine protease ScpA of S. aureus. This suggests that
GcpMB may share a common pathway with the virulence factors of S. aureus. In
conclusion, GcpMB may be involved in the production, processing or maturation of
important S. aureus virulence factors.
CHED 322
Effect of TCDD on gene expression of estrogen synthesis enzyme aromatase
using real time qPCR

Elizabeth F Ebensperger, eebenspe@pio.carrollu.edu, Gregory T Marks.Department


of Chemistry and Biochemistry, Carroll University, Waukesha, WI 53186-5518, United
States
2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) is a manmade environmental contaminant
that is produced during the synthesis of chlorophenols, which are used in herbicides
and fungicides. TCDD is an endocrine disruptor that can affect the reproductive system
and has been reported to have both estrogenic and anti-estrogenic effects. Estrogens
are important hormones that are responsible for sexual development in females and are
members of the steroid hormones family. Recent studies show that TCDD's effects start
in the ovary, reducing fertility, impairing ovulation, and causing anatomical defects that
are not yet fully understood. Female human granulosa cells dosed with TCDD were
studied using real time quantitative polymerase chain reaction (RT-qPCR) to determine
if levels of aromatase expression, an enzyme key to the estrogen synthesis pathway,
relative to the housekeeping gene ribosomal protein L13 (RPL13) were affected and are
contributing to the disruption of the female human reproductive system.
CHED 323
Effects of ajulemic acid on VEGF production: Relevance to angiogenic potential
in Ewing's sarcoma
Ryan K. James1, jam47166@obu.edu, Elizabeth Blankenship1, Amy Eubanks1, Rob J.
Griffin2, Lori L. Hensley1. (1) Department of BIology, Ouachita Baptist University,
Arkadelphia, AR 71998, United States (2) Department of Radiation Oncology,
University of Arkansas for Medical Sciences, Little Rock, AR 72205, United States
Ewing's Sarcoma is an aggressive pediatric bone cancer common in teenagers and
young adults. It is potentially the most lethal of all bone tumors with a 30% survival rate.
Ajulemic Acid (AJA) offers a potential solution to this problem. Our data show this
compound successfully kills Ewing's sarcoma cells as well as several other pediatric
tumor cell lines in vitro, and we have seen complete tumor regression in approximately
33% of our treated mice. Our data demonstrate that ajulemic acid inhibits the migration
of tumor cells and endothelial cells, the cells that line blood vessels and direct their
growth. Our aim for this study is to determine the mechanism through which AJA inhibits
angiogenesis by looking specifically at its effects on Vascular Endothelial Growth Factor
(VEGF) levels. VEGF is a protein secreted by cells to promote angiogenesis, our
hypothesis was VEGF is to be inhibited by AJA.
CHED 324
Increasing the permeability of Burkholderia cenocepacia by inserting targeted
genomic mutations
Tyler Y Miyawaki, miyawa_t1@denison.edu, Kimberly M Specht.Department of
Chemistry and Biochemistry, Denison University, Granville, OH 43023, United States

Burkholderia cenocepacia is a multi-drug resistant, opportunistic pathogen infecting


those with Cystic Fibrosis and immunocompromised individuals. The membrane is fairly
impermeable partially due to a barrier formed by a lipopolysaccharide (LPS) layer on the
outer-membrane, localized by the protein BCAL0894. In order to increase the
permeability of the outer-membrane, our lab is investigating several different BCAL0894
gene mutations while decreasing the expression of wild-type protein, with the goal of
decreasing the overall activity of BCAL0894. Decreased activity of BCAL0894 should
localize less LPS in the outer-membrane, creating a more permeable membrane for
antibiotic susceptibility. We are now engineering B. cenocepacia strains that each carry
a different BCAL0894 gene mutation inserted into the genome utilizing homologous
recombination to test for increased permeability.
CHED 325
Gene knockout of an outer membrane protein in Burkholderia cenocepacia
Linda M Weber, Linda.Sue.Weber@gmail.com, Kimberly M Specht.Department of
Chemistry and Biochemistry, Denison University, Granville, OH 43023, United States
Burkholderia cenocepacia is a bacterial strain responsible for causing infections in the
lungs of cystic fibrosis patients. This Gram-negative strain is multi-drug resistant with a
highly impermeable outer membrane. The impermeability of Gram-negative bacteria is
due in part to a high concentration of lipopolysaccharide (LPS) molecules in the outer
membrane. Based on sequence homology with similar genes in E. coli, the BCAL0894
gene is expected to play a part in the mechanism responsible for inserting LPS into the
outer membrane of B. cenocepacia. Current studies are working towards a gene
knockout of BCAL0894, which will determine if the protein is essential for B.
cenocepacia viability.
CHED 326
Assessing the effects of spermine on the binding strength of the nucleic acid
complexes between polydA+2polyU
Mark Harris, Anne E Serrao, aeserrao@gmail.com.Department of Biochemistry,
Washington & Jefferson College, Washington, PA 15301, United States
In addition to the standard double helix formed by Watson-Crick base-pairs, Hoogsteen
base-pairing allows a third strand of DNA or RNA to bind to produce triple helices from
different DNA/RNA combinations. Stabilization of nucleic acid triple helices has the
potential to be used in the control of gene expression by affecting protein synthesis.
This study analyzes the effects of spermine, a polyvalent cation, on the binding strength
of the helical complexes formed in a system of two equivalents of polyuridylic acid and
one equivalent of polydeoxyadenylic acid. Melting curves show a general trend of
increasing stability with increasing spermine concentration. Mixing curves are generated
to determine if triple helices had formed or if only double helices were present.

CHED 327
Reversal of RNA toxicity in myotonic dystrophy type 1 using antisense
oligonucleotides
Jamie L Platz1, jplatz@pio.carrollu.edu, Rebecca Moore3,2, David Brook2, Christopher
Hayes3. (1) Department of Chemistry & Biochemistry, Carroll University, Waukesha,
Wisconsin 53186, United States (2) Department of Genetics, University of Nottingham,
Nottingham, United Kingdom (3) Department of Chemistry, University of Nottingham,
Nottingham, United Kingdom
Myotonic dystrophy type 1 (DM1) is a genetic disease caused by a triplet CTG
expanded repeat in the DMPK gene, which codes for DM protein kinase. The CTG
repeat causes an RNA gain-of-function, sequestering muscleblind-like (MBNL) proteins
which results in missplicing and pathogenesis. In this study, antisense oligonucleotide
(ASO) therapy is employed to block the repeat expansion and reverse RNA toxicity. We
used ASO gapmers containing DNA and 2'OMe modified bases for optimal binding
affinity and potential RNase H induction. Using DM1 cells to screen ASOs, we have
identified a 5-12-4 gapmer that reduces RNA foci in situ. However, immunofluorescence
analysis shows no reduction in MBNL protein foci, revealing that RNase H is not
effectively cleaving the DNA:RNA hybrids, and that sequestered MBNL protein remains
nonfunctional. Therefore, additional nucleotide functionality will need to be further
investigated; however our research serves as an important gateway for further ASO
therapy in DM1.
CHED 328
Purification of avian riboflavin binding protein for a senior level biochemistry lab
Samantha Saville, savillesv@grizzlies.adams.edu, Christina Miller.Department of
Chemistry, Computer Science, and Mathmatics, Adams State University, Alamosa,
Colorado 81101, United States
Experiments done to improve the isolation of avian riboflavin binding protein from
chicken egg yolk will be discussed. The protein was purified by salting out, dialysis, and
ion exchange chromatography. Characterization of the protein was performed using
SDS-PAGE to determine molecular weight, the Lowery assay to determine protein
concentration and a riboflavin-binding assay. The aim of this set of experiments is to
develop a new senior level biochemistry lab.
CHED 329
Control of protein translational rates by mTOR in v-ras transformed mouse
fibroblasts

Hayley B. Hamilton, hamiltoh@southwestern.edu, Kerry Bruns.Department of


Chemistry and Biochemistry, Southwestern University, Georgetown, Texas 78627-0770,
United States
Malignantly transformed cells exhibit an abnormal rate of growth relative to normal cells,
requiring a higher rate of protein biosynthesis. To study differences in regulation of
protein biosynthesis between normal and transformed cells, KBalb cells (Kirsten
sarcoma virus transformed embryonic mouse fibroblasts) and their parental cell line,
Balb 3T3 cells, were used as models. Translational regulation requires eukaryotic
initiation factors, inhibitory binding proteins of initiation factors, and p70 S6 kinase, all of
which are substrates of mTOR. Experimental results suggest that changes in the
phosphorylation state of substrates of mTOR1 may have effects on the rate of protein
biosynthesis in transformed cells.
CHED 330
Identification of a quinone intermediate in the biogenesis pathway of lysyl tyrosyl
quinone
Parveen Hussain, phussain86@gmail.com, Karlo M. Lopez.Department of Chemistry,
California State University, Bakersfield, Bakersfield, CA 93311, United States
The mechanism for the biogenesis of the lysyl tyrosyl quinone cofactor in lysyl oxidase
has not been fully characterized. Two mechanistic pathways have been proposed
leading to the formation of this cofactor.

Spectrophotometric and redox cycling studies of the K320R mutant of lysyl oxidase
(which prevents LTQ formation) have revealed that a quinone is present in the mutant
form of the enzyme. Based on these data, mechanistic pathway 1 is proposed as the
biogenesis pathway leading to LTQ.
CHED 331
DNA-binding studies of Pax3-FOXO1 through site-directed mutagenesis
Endia Blunt1, eblunt1@xula.edu, Madhusoodanan Mottamal1,2, Chantelle Collins1,
Kelly Johanson1. (1) Department of Chemistry, Xavier University of Louisiana, New
Orleans, Louisiana 70126, United States (2) RCMI-Molecular Structure and Modeling
Core, Xavier University of Louisiana, New Orleans, Louisiana 70126, United States
Alveolar Rhabdomyosarcoma (ARMS) is a malignant, skeletal muscle tumor that occurs
primarily in older children and young adults. ARMS is frequently caused by the
transcription factor, Pax3-FOXO1, which retains the full Pax3 DNA-binding domain and
a truncated FOXO1 DNA-binding domain. While the Pax3 domain has been thought to

direct DNA binding, the ability of the truncated FOXO1 domain has never been directly
tested. The overall goal of this project is to characterize the activity of the truncated
FOXO1 DNA-binding domain. In the full FOXO1 DNA-binding domain, Arg225 and
Ser235 are known to be important for maintaining DNA contacts, and these residues
are predicted to be necessary in the truncated system. Here, we present our studies on
the affinity of Pax3-FOXO1 for Pax3 and FOXO1 recognition sequences in vitro as well
as the effect of Arg225 and Ser235 site-directed mutagenesis on the affinity for these
sequences.
CHED 332
Measuring the rates of nitric oxide release from heme proteins
Shelby D Arleth, shelbys@eou.edu, Miranda L Gathright, gathrim@eou.edu, Truc T
T Nguyen, nguyen4@eou.edu, Stephen E Valacer, valaces@eou.edu, Colin R
Andrew.Department of Chemistry & Biochemistry, Eastern Oregon University, La
Grande, OR 97850, United States
Reactivity of nitric oxide (NO) with iron-containing centers of heme proteins occurs in a
variety of physiological processes, including heme-based NO signaling (e.g. soluble
guanylate cyclase) and NO detoxification (e.g. NO reductases). The kinetic stability of
heme-nitrosyl complexes is reflected in the rate constant for heme-NO release, koff(NO).
Here we report different experimental strategies for measuring koff(NO) for a selection of
heme proteins, including cytochrome c which exhibits a novel heme-NO binding
location on the proximal heme face. The influence of heme Fe coordination number and
heme protein environment on the kinetics of heme-NO release is discussed.
CHED 333
Using HS SPME and GC-MS to identify microbial volatile organic compounds in
fungal strains isolated from Atriplex canescens
Elizabeth Hernandez-Jaimes, maryk@stedwards.edu, Mary KopeckiFjetland.Department of Chemistry, St. Edward's University, Austin, TX 78704, United
States
Fourwing saltbush, Atriplex canescens, is an important food source for herbivores in the
desert southwest. It produces plant volatile organic compounds (PVOCs) that could
possibly serve as the source of attraction for herbivores. Initial studies revealed a
symbiotic relationship between A. canescens and various fungal strains including
Alternaria, Cladosporium, Phoma, and Nigrosporium. This research aims to isolate and
identify microbial volatile organic compounds (MVOCs) released during the growth of
each fungal strain using head space solid phase microextraction (HS SPME) and GCMS. Alternaria versicolor is being used as a model system. HS SPME exposure times
and temperatures are being varied to optimize MVOC isolation. Future studies include

comparison of the A. canescens PVOC profile with that of the fungal MVOC profiles in
order to determine if herbivores are attracted to the plant or to the fungus.
CHED 334
Cryopreservation of unicellular algae
Allyson McDonald, leverett@uiwtx.edu, Bahinah Callahan, Damaris Delgadillo, Betsy
Leverett.Department of Chemistry, University of the Incarnate Word, San Antonio, TX
78248, United States
As a means of establishing optimal cryopreservation conditions for commonly used
laboratory species of unicellular algae, the freezing tolerance of some representative
species has been investigated. Algae were cultivated under constant growing
conditions, and subjected to freezing in the presence of a cryoprotective agent, either
dimethylsulfoxide (DMSO) or glycerol. The freezing procedures included either a twostep procedure or a controlled cooling method, and viability analysis of previously frozen
algae included growth rate, oxygen production, and chlorophyll analysis.
CHED 335
Loss of sigmoidality in fibrin clot formation in the presence of inhibitors acetLSPR-amide or acet-ISPR-amide
Jessica S Viscomi, jsv41171@huskies.bloomu.edu, Brandon T Brown Sr., Toni A
Trumbo.Department of Chemistry and Biochemistry, Bloomsburg University of
Pennsylvania, Bloomsburg, PA 17815, United States
A fibrinopeptide assay was used to compare the rates of uninhibited clot formation and
clot formation containing acet-ISPR-amide or acet-LSPR-amide. For LSPR, clot
formation was followed by spectroscopic methods. Not only was clot formation inhibited,
sigmoidality was lost in the presence of the inhibitor. For ISPR, the velocity of FpA and
FpB release was measured using quench methods and HPLC analysis. MichaelisMenten plots of for FpA release velocity with respect to fibrinogen concentration showed
significant inhibition of clot formation with physiological concentrations of fibrinogen. By
contrast, plots for FpB release velocity with respect to fibrinogen concentration showed
no inhibition of FpB release. The inhibition of FpA and not FpB release suggests that
cooperativity is lost during clot formation with the addition of ISPR.
CHED 336
Determination of Vmax and Km for a membrane protease from the periodontal
pathogen, Tannerella forsythia, in solutions between pH 6.0 and 8.0

Amy Rost, arost01@drury.edu, Cole Hartfield, chartfield@drury.edu, Joseph


Paganoni, jpaganoni@drury.edu, Beth A Harville.Department of Chemistry, Drury
University, Springfield, Missouri 65802, United States
Tannerella forsythia is an anaerobic bacterium that is associated with severe
periodontal disease. T. forsythia produces a membrane bound protease that cleaves
both gelatin and collagen. To better understand the ideal conditions for enzyme activity
the protease was purified then incubated with highly fluorescein-labeled gelatin in
buffers ranging from pH 6.0 to pH 8.0. Enzymatic cleavage of the highly fluoresceinlabeled gelatin resulted in relief of fluorescent quenching which was monitored using a
Luminescence Spectrophotometer. Increase in fluorescence due to enzymatic cleavage
was used to determine Vmax and Km for the enzyme in the different pH buffering
systems.
CHED 337
Effects of resveratrol on ultraviolet light-induced skin cell death
George D. Grady, gdg001@marietta.edu, Kimberly George.Department of Chemistry,
Marietta College, Marietta, Ohio 45750, United States
Antioxidants, such as Resveratrol, are suspected to have anti-cancer and anti-tumor
effects. Most cases of skin cancer are caused by overexposure to ultraviolet light
irradiation. Results from trypan blue cell viability assays, clonogenic cell proliferation
assays, western blots of apoptotic PARP protein cleavage, and FLICA assays for
apoptotic caspase cascade activation indicate that resveratrol treatment of both normal
human HaCaT skin cells and human cancerous melanoma M624 skin cells causes a
dose-dependent increase in cell viability. Results also indicate that resveratrol treatment
combined with 50 mJ/cm2 ultraviolet B irradiation causes a resveratrol dose dependent
decrease in cell viability of both normal HaCaT skin cells and melanoma M624 skin
cells. Results from these studies are indicative of the type of cell death occurring:
apoptosis, healthy cell death, or necrosis, unhealthy cell death.
CHED 338
Engineering c-type heme in a cyanobacterial hemoglobin
Lukas Gilevicius2, lgilevicius@yahoo.com, Matthew R Preimesberger1, Belinda
Wenke1, Juliette T. J. Lecomte1. (1) Department of Biophysics, Johns Hopkins
University, Baltimore, Maryland 21218, United States (2) Loyola University New
Orleans, New Orleans, Louisiana 70118, United States
Among other cyanobacteria, Synechocystis sp. PCC 6803 produces a globin called
cyanoglobin or GlbN. What is unique about GlbN is that it is capable of undergoing a
post-translational modification (PTM), which covalently links a vinyl group of the heme
to a noncoordinating histidine. A similar PTM can be found in c-type cytochromes where

both the 2- and 4-vinyl groups undergo addition by cysteines, anchoring ferrous heme to
protein through thioether linkages. In this study, the ability for GlbN to form dual
histidine linkages analogous to cytochrome c was investigated as well as the resulting
effects on protein properties and heme chemistry. The composite optical and NMR data
acquired from this project indicated that we succeeded in engineering double His-heme
linkages. Preliminary work indicates that the modified protein is more thermally stable,
but there are still other properties left to investigate for future work.
CHED 339
Arabidopsis MMD-like genes and their roles in chromosome biology during male
reproduction
Megan M Shroder, shrodemm@muohio.edu, Kuntal De, Christopher A
Makaroff.Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States
We previously reported the analysis of the Arabidopsis Male Meiocyte Death1 (MMD1)
mutant, which exhibits cytoplasmic shrinkage and chromatin fragmentation, leading to
male meiocyte apoptosis. MMD1 is expressed during meiosis and encodes a Plant
Homeo Domain (PHD) protein. Arabidopsis contains three other MMD1-like proteins,
MS1, which is essential for tapetal cell development and MMDL1 and MMDL2, which
are expressed at elevated levels in the endosperm and sperm cells, respectively.
Genetic analyses were conducted to determine the roles of MMDL1 and MMDL2. Plants
homozygous for single mutations in MMDL1 and MMDL2 appear normal, while
homozygous mutations in both genes are lethal. Interestingly, while mmdl1-/-mmdl2+/plants are viable, but display a seed abortion phenotype, mmdl1+/-mmdl2-/- plants are
not able to be isolated. The results of more detailed cellular and molecular analyses
including the analysis of pollen, female gametophyte, and embryo development will be
presented.
CHED 340
Progress towards synthesis of novel RNA phosphoramidite monomer protecting
groups
Seth Jones, dunlapv@hsu.edu, Kenda Syler, dunlapv@hsu.edu, Rachael Kew,
Vincent Dunlap.Department of Chemistry, Henderson State University, Arkadelphia,
Arkansas 71999, United States
With the explosion of new research in the field of RNA, a significant demand for
synthesis of oligoribonucleotides has materialized thus allowing the phosphoramidite
method to become a very valuable tool in biochemical research. As a result, the
demand for synthesis of phosphoramidite monomers has increased. However, there is a
lack of selectivity between the 2'- and 3'-hydroxyl groups in RNA for phosphite addition,
resulting in a reduction in efficiency of synthesis. Silyl protecting groups have been

developed to improve selectivity for the 2'-hydroxyl; but, in order to obtain the greatest
utility, yields of the monomer still need to be improved. In order to improve these yields,
we have developed structural analogs of the 5'-hydroxyl protecting group dimethoxytrityl
(DMT) which contain linker arms aimed at improving selectivity for 3'-hydroxyl
phosphitylation. Synthetic methods for assembly of the protecting groups as well as
additional developments are presented.
CHED 341
Molecular substrate interactions of lysine deacetylases
Lavoryette S Cannon2, tjwatt@xula.edu, Jayla D Jones2, Ashley N Matthew1, Asia N
Matthew1, Richard G Painter1, Terry J Watt1. (1) Department of Chemistry, Xavier
University of Louisiana, New Orleans, LA 70125, United States (2) Department of
Biology, Xavier University of Louisiana, New Orleans, LA 70125, United States
Lysine deacetylases (KDACs) play critical roles in cell cycle progression, transcriptional
regulation, and developmental events, including cardiovascular development and
disease and muscular development. In effort to discover what KDAC residues are
critical for the activity and stability of the protein, three KDACs were expressed, purified,
and found to be active in assays measuring the deacetylation activity. Site-directed
mutagenesis was used to introduce an active site histidine to tyrosine mutation in
KDAC4 and KDAC7, and as well as combinations with cysteine to alanine mutations in
KDAC4. The histidine to tyrosine mutation in both enzymes was determined to be more
active by approximately 1000-fold compared to the wild-type enzymes in a commercial
assay, whereas the cysteine to alanine mutations reduced activity and stability.
Implications for the role of specific residues are discussed.
CHED 342
Analyzing the antimcrobial properties of bacteriostatic copolymer, vinylbenzylthymine and vinylbenzyl triethylammonium chloride via 96-well assay
Maureen Corrielus, jennifer.canfield@simmons.edu, Brittany Caruso, Richard Gurney,
Jennifer Roecklein-Canfield.Department of Chemistry & Physics, Simmons College,
Boston, MA 02115, United States
We present here our work on developing a long-lasting bacteriostatic copolymer,
vinylbenzyl-Thymine and vinylbenzyl triethylammonium Chloride (VBT-VBA), which can
be applied to surfaces in hospitals. Bacterial infections acquired during patient stay in
the hospital have been a long-standing problem. Recent studies have shown the
antibacterial action of substituted VBT-VBA polymers against E.coli. We are examining
the effect on growth these polymers have against 6 other pathogenic bacteria
commonly acquired in hospitals. We will also be developing new methodology to
perform these antibactierial assays at high-throughput using a 96 well plate assay,
utilizing the recently purchased ViaFlow robotic liquid handler. The outcome of this work

may lead to the development of a commercial product that will dramatically decrease
the number of bacterial infections that patients receive from hospitals.
CHED 343
Determination of the binding constant when glycitein is complexed with rat
estrogen receptor beta
Chealse M Stokes, cstokes@pio.carrollu.edu, Greg Marks.Department of Chemistry,
Carroll University, Waukesha, Wisconsin 53186, United States
Estrogen functions by binding to receptors that control gene transcription, leading to the
creation of proteins that regulate several functions within an organism. The
hormone/receptor binding event can be blocked by the binding of molecules that are
structurally similar to estrogen, causing various developmental issues, specifically
causing damage to the ovarian follicles. There is a gap current literature that would offer
a solution as to how conformational changes in proteins can be caused by the binding
of incorrect ligands, triggering the proteins to function differently. Glycitein, a
phytoestrogen found in soy, is used to characterize the effects of phytoestrogens on cell
signaling with estrogen receptor beta (ER), using rats as a model system. The ligand
binding domain (LBD) of rat ER was subcloned using PCR. Escherichia coli is ideal for
bacterially expressing rER LBD. Isothermal calorimtry can be used to determine the
binding affinity for estrogen and glycitein.
CHED 344
Photophysical evaluation of 5-aryl pyrimidines
Jake Firmender, firmender008@connect.wcsu.edu, Brandon Litwin, Nicholas J.
Greco.Department of Chemistry, Western Connecticut State University, Danbury, CT
06810, United States
Deoxyribonucleic acid (DNA) is an essential biomolecule whose properties have been of
scientific significance since its discovery. Experimentation with DNA has focused on
modifications made to the sugar, backbone or nucleobases of native nucleosides.
Through studying the modified nucleotides a greater understanding of their properties
and overall stability can be reached. Our research is focused on a series of 5-aryl
nucleosides, whose photophysical properties will be investigated. The absorption and
emission properties of these modified nucleosides will be used to determine the location
of the modified nucleotides within the DNA duplex.
CHED 345
Effect of 7-hydroxyflavone and fluconazole on the CYP450-2C9 mediated
metabolism of ibuprofen

Emily M Lauterbach, emily.lauterbach@email.stvincent.edu, Daryle Fish.Department


of Chemistry, Saint Vincent College, Latrobe, PA 15650, United States
The overall goal of this research is to determine the effects of fluconazole and 7hydroxyflavone on the cytochrome P450-2C9 mediated metabolism of ibuprofen. The
fluconazole and 7-hydroxyflavone will both be administered individually to the ibuprofen
and cytochrome complex. Ibuprofen is a non-steroidal anti-inflammatory drug that is
commonly used for pain reduction and inflammatory diseases. 7-hydroxyflavone is a
flavonoid, which is a class of dietary phytochemicals, which is a chemical compound
that occurs naturally in plants. 7-hydroxyflavone has a known interaction with the
CYP450-2C9 enzyme. Fluconazole is often used to treat fungal infections and
meningitis caused by fungus. This drug is also known to have an interaction with the
CYP450-2C9. Throughout this research, the final products will be analyzed by the High
Performance Liquid Chromatograph. The drugs ibuprofen, fluconazole, and 7hydroxyflavone will all be metabolized in order to produce the metabolites associated
with each of them.
CHED 346
Extraction and identification of Bifidobacterium animalis from commercially
available yogurt using polymerase chain reaction
BreAnne DeMarco, hoover@setonhill.edu, Diana Hoover.Division of Natural and
Health Sciences, Seton Hill University, Greensburg, PA 15601, United States
Increasing concerns about food safety has lead to an increase in the importance of
methods to identify food components. In yogurt with live cultures, it is possible to find
several types of bacteria. One popular commercial brand claims to use a specific strand
of Bifidobacterium animalis, which is a strain of Gram positive bacteria. The purpose of
this experiment was to extract DNA from the bacteria in this brand of yogurt and attempt
to identify it as DN-173010 strain I-2494, a particular strain of Bifidobacterium animalis,
subspecies lactis. As a control, DNA extracted from yogurt was compared with human
and Micrococcus luteus DNA. The DNA from each sample was extracted using a
QuiAmp kit and amplified with PCR using known primers for the specific B. animalis
strain. The amplified DNA was separated and visualized using gel electrophoresis.
Future work could include comparisons of the bacteria in different brands of yogurt.
CHED 347
Structural and thermodynamic studies of a DNA i-motif
Alexander Buxton, abuxton@twu.edu, Mikael McKim, Richard D Sheardy.Department
of Chemistry and Biochemistry, Texas Woman's University, Denton, TX 76204, United
States

Telomeres are protein DNA complexes found at the ends of eukaryotic chromosomes.
The human telomere sequence has a G-rich strand, (TTAGGG), complemented to a Crich strand, (CCCTAA). Previous studies of the G-rich strand indicate that this sequence
folds into a distinct conformation, designated as a G quadruplex, where the GGG bases
form G-tetrads while the TTA segments are found in loops joining the tetrads. C-rich
DNA has also been shown to form an unusual structure, under slightly acidic conditions,
designated as the i-motif. For this aspect of the project, we are investigating the
structure and stability of the conformation formed from (CCCTAA)4 in the presence of
either Na+ or K+ at pH values ranging from 5.0 to 7.5. We will present circular dichroism
(CD) spectroscopic determinations to demonstrate the pH induced formation of the imotif for this sequence. In addition, we will report results of the effect of a crowding
agent (PEG) on the single strand to i-motif equilibrium.
CHED 348
Search for the catalytic subunit of DNA polymerase in Thermomyces
lanuginosus
Sonia T. Han, hansac01@gmail.com, Chelsea E. Meier, meier.chelsea@gmail.com,
Ira M. Simet.Department of Chemistry and Biochemistry, University of Northern Iowa,
Cedar Falls, Iowa 50614, United States
DNA polymerases are the enzymes responsible for replicating DNA, with DNA
polymerase 's (DNAP) initiating the replication process in eukaryotes. Unfortunately,
many DNA polymerases are not very stable, making study of these enzymes difficult.
Thermomyces lanuginosus (TL) is a thermophilic fungus, so its DNA polymerases are
expected to be heartier and to have a higher temperature tolerance; for this reason, TL
has become a target for study. Experiments designed to determine the gene sequence
of the catalytic subunit of DNAP have been undertaken using large scale culture of TL.
This sequence appears to be partly conserved among eukaryotes, though little research
has been done on fungi apart from Saccharomyces cerevisiae. Using primers based on
known sequences from a handful of other fungi, a possible expressed sequence tag
(EST) has been identified. This EST will be sequenced and then used to quantitate
DNAP catalytic subunit mRNA in TL.
CHED 349
Analysis of the mutagenic and biophysical characteristics of nanoparticles in
common consumer products
Nicholas Eberhart, m131923@usna.edu, Sean Divoky, m131734@usna.edu, Virginia
Smith.Department of Chemistry, United States Naval Academy, Annapolis, Maryland
21401, United States
Nanoparticles are used in a wide range of applications throughout the world, including
many common consumer products. Metal-oxide nanoparticles such as ZnO and various

forms of TiO2 are especially useful. Despite the popularity of nanoparticles, however,
relatively little research has been done on the unintended effects nanoparticles might
have on the human body. We have used classical microbiological techniques and
modern spectroscopic methods to determine the possible mutagenic and biophysical
effects of metal oxide nanoparticles on living organisms and membrane bilayers. The
Ames Test and bacterial growth assays were used to determine the mutagenicity of
several metal-oxide nanoparticles. By incorporating spin-labeled and fluorescentlytagged phospholipids into unilamellar liposomes, we investigated the effects of these
same nanoparticles using fluorescence emission and electron paramagnetic resonance
spectroscopy. The combined results of these experiments provide information on both
the physiological effects and possible mechanisms of action of nanoparticles on living
systems.
CHED 350
WITHDRAWN
CHED 351
Expression and identification of GPR133, a human orphan G-protein coupled
receptor
Cassandra L. Sidone, cs2198@ship.edu, Caleb S. Lougheed, Dale S. DiSalvo,
Thomas Frielle.Department of Chemistry, Shippensburg University, Shippensburg, PA
17257, United States
Sixty percent of all human G protein-coupled receptors (GPCRs), including GPR133, do
not have an identified agonist, so are termed orphan receptors. The primary structure
of GPR133 is similar to four previously identified D. discoideum GPCRs whose agonist,
extracellular cAMP, initiates chemotaxis and cellular development suggesting that the
agonist of GPR133 may also be cAMP. To ensure high expression levels, a mammalian
expression vector was constructed that included the sequence encoding the N-terminal
20 amino acids of bovine rhodopsin inserted after the signal peptide sequence of
GPR133. After transfection of COS-7 cells, the ability of extracellular cAMP to increase
intracellular cAMP in a GPR133-dependent fashion was assessed using a fluorescence
resonance energy transfer assay.
CHED 352
Characterizing the antibacterial activity of a VBT/VBA copolymer against common
nosocomial gram-negative bacteria: Applications for new surface coating
Cynthia Reynolds, jennifer.canfield@simmons.edu, Brittany Caruso, Richard Gurney,
Jennifer Roecklein-Canfield.Department of Chemistry, Simmons College, Boston, MA
02115, United States

Hospital acquired infections have become a growing problem due to the proliferation of
bacteria on surfaces and the overuse use antimicrobial products, leading to bacterial
resistance. We discuss here a polymer of Vinylbenzyl Thymine (VBT) and Vinylbenzyl
Triethyl Ammonium (VBA), which was synthesized and analyzed for antibacterial
properties using qualitative and quantitative bacterial assays. Preliminary findings
suggest concentrations as low as 1% polymer solution are antibacterial. The VBT/VBA
polymer shows promising antibacterial results based on the decrease in the number of
colony-forming units of E.coli in the presence of the polymer. We report here the time
course of antibacterial activity of the VBT/VBA polymer against 6 nosocomial bacteria
strains and new methodology for cross-linking and adherence of the polymer to
laminate surfaces.
CHED 353
Cloning, expression, and purification of the pyruvate dehydrogenase complex
subunits E1, E1, E2, and E3 from the pdhABCD operon of Bacillus subtilis
Laura A Bowman2, lbowman@pio.carrollu.edu, Geoff Briggs1, Kent Molter2, Panos
Soultanas1. (1) Centre for Biomolecular Sciences, University of Nottingham,
Nottingham, Nottinghamshire NG7 2RD, United Kingdom (2) Department of Chemistry,
Carroll University, Waukesha, WI 53186, United States
Pyruvate dehydrogenase (PDH) is a four-enzyme complex which is employed in the
lower half of glycolysis and is also suspected of regulating lagging strand synthesis of
DNA. It is unknown which of the PDH subunits interact with subunits of DNA helicase to
regulate synthesis. Environmental factors were previously assumed to regulate DNA
replication, but there may instead be a complex regulatory system that directly links
enzymes in glycolysis and DNA replication. In this research the four subunits of the
PDH enzyme (E1a, E1b, E2, and E3) were obtained by cloning the PDH gene from
Bacillus subtilis, expressing the protein, and purifying via fast protein liquid
chromatography. Interactions between PDH subunits and enzymes in DNA helicase
responsible for lagging strand synthesis were tested using analytical gel filtration.
Improved methods of purifying the PDH subunits using readily available materials were
also explored.
CHED 354
Deciphering the breast cancer histone code
Lisa M. Orr1, lmorr@ualr.edu, Linley Moreland2, Nathan Avaritt2, Alan J. Tackett2. (1)
Department of Chemistry, University of Arkansas at Little Rock, Little Rock, Arkansas
72204, United States (2) Department of Biochemistry and Molecular Biology, University
of Arkansas for Medical Sciences, Little Rock, Arkansas 72205, United States
Chromatin, a complex of DNA wrapped around a core of histone proteins, greatly
reduces the size of DNA. Processes like replication and transcription are dependent

upon chromatin density because tightly packaged DNA cannot be accessed by proteins
involved in these activities. Histone post-translational modifications (PTMs) can alter
chromatin density enabling or inhibiting replication and transcription. Alterations in levels
of transcriptional activating and inactivating PTMs have been associated with
progression of numerous cancers. A recent study has shown that expression of
estrogen receptor in breast cancer is regulated by epigenetic aberrations. Described
here is a mass spectrometric approach for correlating PTM status with hormone
responsiveness in two breast cancer cell lines. It is hypothesized that differences in
histone modifications exist between cancer cell lines derived from ER+ and ER- breast
tumors. Identification of differences in PTMs between the tumor types may provide
insights into new treatments that target histone-modifying enzymes.
CHED 355
Solvent-dependent structure of the endogenous opioid peptide -neoendorphin
Jasmine Hill, jtjh92@yahoo.com, Khushikumari Patel, Brittany Morgan, Nsoki
Phambu.Department of chemistry, Tennessee State University, Nashville, Tennessee
37209, United States
Structural changes for the endogenous opioid peptide -neoendorphin (-NE) in various
solvents were investigated using infrared, NMR, ThT-fluorescence and Dynamic light
scattering (DLS) techniques. The peptide structure was studied in aqueous solution,
sodium dodecylsulfate (SDS), trifluoroethanol (TFE), and in the presence of the anionic
model membrane dipalmitoylglycerophosphoglycerol (DPPG). FTIR with second
derivative resolution and curve-fitting methods indicates that -NE adopts a major sheet structure in water and SDS micelles. A substantial reduction of the -sheet
structure is observed in TFE, with an increase in a-helix structure. DLS experiments
reveal that -NE increases the size of DPPG aggregates. ThT-fluorescence results
indicate that -NE adopts a beta-sheet structure while interacting with DPPG in water, in
agreement with the FTIR results. The interaction of -NE with DPPG in TFE are also
discussed. Proton NMR spectra shows that the N atom of the amide group of -NE is
involved in the interaction with DPPG.
CHED 356
Quantification of CDP-choline in tissues and body fluids using LC/SRM/MS and
stable isotope dilution
Ashley Freeze1, agfreeze@catawba.edu, Joshua Cummings1,
jcumming@catawba.edu, Shucha Zhang2, Walter B Friday2. (1) Department of
Chemistry, Catawba College, Salisbury, NC 28144, United States (2) Department of
Metabolomics, University of North Carolina at Chapel Hill, Nutrition Research Institute,
Kannapolis, NC 28081, United States

CDP-choline, also known as cytidine 5'-diphosphocholine or citicoline, is the active form


of choline that is important for normal membrane function, acetylcholine synthesis, lipid
transport, and methyl metabolism. CDP-choline supplements are available in the market
to promote brain function. Once absorbed, CDP-choline is widely distributed throughout
the body, crosses the blood-brain barrier and reaches the central nervous system,
where it is incorporated into the membrane and microsomal phospholipid fraction.
Despite its importance, only a limited number of assays are available in literature and
have not been extensively applied to biological samples due to undesirable sensitivity
and selectivity. In this study, a new liquid chromatography-selective reaction monitoringmass spectrometry (LC/SRM/MS)-based assay is described for quantification of CDPcholine. The assay is evaluated by parameters such as precision, accuracy, linear
dynamic range, limit of detection and limit of quantification. The concentrations of CDPcholine in various samples such as tissues, plasma and urine are determined.
CHED 357
Influence of a coiled-coil isoleucine zipper on the trimerization and
endosomolytic activity of the E5-TAT-mCherry protein
Valerie Nickel1, nic47813@obu.edu, Ting-Yi Wang2, Jean-Philippe Pellois2. (1)
Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998, United
States (2) Department of Biochemistry and Biophysics, Texas A&M University, College
Station, TX 77843, United States
The E5-TAT-mCherry protein is designed to initiate cellular uptake through endocytosis
and react to the acidification of the endosomes by causing membrane lysis and
cytosolic delivery. The cell penetrating peptide TAT from the HIV transcription activator
binds to the cellular membrane and triggers endocytosis. E5 is a derivative of the
fusogenic peptide HA2 from the influenza hemagglutinin protein and reacts to the
acidification of the endosomal lumen by inserting into the membrane and increasing
permeability. Cytosolic delivery has been achieved using E5-TAT-mCherry, although
efficiency still remains low. A pH-sensitive isoleucine zipper (IZdep) has been
incorporated into the protein in order to increase its endosomolytic activity. Under acidic
conditions IZdep forms a triple stranded coiled coil but remains as a monomer under
neutral conditions. Preliminary results suggest that IZdep is creating a mixture of
oligomerization states and that TAT is interacting with charged residues on IZdep,
decreasing membrane binding efficiency.
CHED 358
Purification of -Amylase from human saliva from diverse populations
Paul Cornelius, hoover@setonhill.edu, Diana Hoover.Division of Natural and Health
Sciences, Seton Hill University, Greensburg, PA 15601, United States

The scientific community has examined the effects smoking has on males and females
at length. But what effects does smoking and gender have on the digestion of starch in
the mouth? The purpose of this study was to determine if a relationship existed between
smoking habits and gender, in terms of the activity of -amylase. -Amylase, an
enzyme located in human saliva that functions in the digestion of starch, was isolated
from several human saliva samples and analyzed using starch and iodine reagent.
Twenty samples were collected from participants aged 18-24 years, who had not
consumed food in the past hour. The results will be useful in determining if enzymatic
activity of -amylase is hindered based on smoking habits or gender, providing a
foundation for future experimentation into how these variables affect DNA coding for this
enzyme.
CHED 359
Characterization of cationic DNA transfection agents binding to supramolecular
G-DNA
Zachariah Henseler, HENS7776@stthomas.edu, Thomas Marsh, Lisa
Prevette.Department of Chemistry, University of St. Thomas, St. Paul, Minnesota
55105, United States
Guanine-rich nucleic acids self-assemble into a polymorphic family of quadruple helical
structures known as G-DNA. Its common structural motif is a coplanar tetrad of guanine
bases that, when stacked, have the capacity to coordinate some cations. Sequences
capable of adopting a G-DNA structure are found throughout the genomes and their
biological functions are linked to genome stability, regulation of gene expression and
cellular senescence. This work describes interactions of cationic polymers used as DNA
transfection agents with a supramolecular G-DNA known as a G-wire.
Polyethyleneimine (PEI), TAT peptide and PAMAM dendrimer show high affinity for Gwires self-assembled in the presence of Na+, K+ and NH4+ when measured by
Isothermal Titration Calorimetry (ITC). Dynamic light scattering (DLS) revealed the
emergence of polydisperse aggregates form at charge ratios greater than 1(+:-) ranging
in diameter (100-1000 nm). The analyses of binding interactions indicate that G-DNA
remains intact, supporting results from ITC and DLS.
CHED 360
Cyclocreatine:membrane interactions studied by differential scanning calorimetry
and fluorescence emission spectroscopy
Joshua Sohn, m136504@usna.edu, Allison Maher, m134224@usna.edu, Virginia F
Smith.Chemistry, United States Naval Academy, Annapolis, MD 21412, United States
Cyclocreatine (CCr) and its phosphorylated derivative, PCCr, have been shown to have
medically important properties in the heart and nervous system, but their interactions
with cell membranes are not well understood. We used liposomes formed from cardiac

and brain tissue lipid extracts to model the cell membranes in order to study the
membrane interactions with CCr and PCCr. We used differential scanning calorimetry to
obtain Tm values and changes in enthalpy associated with the addition of the creatine
analogs. Using phospholipids with either DANSYL-labeled headgroups or NBD-labeled
acyl chains we were able to monitor CCr and PCCr interactions with the membrane
bilayer. By varying the temperature we were able to evaluate the effect on membrane
thermal stability. By using polar and total lipid extracts we were able to evaluate how
creatine analogs interact with membrane components of different polarity. The
combined results provide a fuller picture of creatine-membrane interactions.
CHED 361
Isolation and determination of the DNA gene sequence of actin for the slime mold
Stemonitis flavogenita
Brett A. Williams, bawilliams@eagles.usi.edu, Jeannie T. B. Collins.Department of
Chemistry, University of Southern Indiana, Evansville, IN 47712, United States
The slime mold Stemonitis flavogenita was studied to determine the gene sequence for
actin. Actin, a cytoskeletal protein, is highly conserved among eukaryotes; however, the
actin sequence for this species is unknown. DNA and RNA were isolated from the
aphanoplasmodial and coralloid stages of this organism. Known actin gene sequences
were aligned and compared in order to determine the best primer sequences for PCR.
After preparing cDNA samples from the RNA isolations through reverse transcription,
the DNA and cDNA samples were amplified using PCR under various conditions. The
amplified samples were analyzed using agarose gel electrophoresis. It was determined
that samples that were amplified at temperatures near 37C produced the largest
bands, although they were not the strongest bands. The target DNA size is 1130 bases,
and a couple of samples are larger than this. Additional isolations will be performed and
analyzed and the results will be presented.
CHED 362
Synthesis of naphthyridine/azaquinoline analogs for the disruption of TNR
expansions in the base excision repair mechanism
Jay D. Pike, Nicole Sassu, nsassu@friars.providence.edu, Luke Sejkora,
lsejkora@friars.providence.edu, Eileen Colliton,
ecollito@friars.providence.edu.Department of Chemistry & Biochemistry, Providence
College, Providence, RI 02918, United States
Several neurological disorders result from the expansion of (CAG)n/(CTG)n trinucleotide
repeat (TNR) microsatellite sequences in the human genome. As part of the expansion
process, the formation of non-B DNA hairpin conformations has been proposed in the
base excision repair mechanism, within which an oxidized guanine residue is excised by
7,8-dihydro-8-oxoguanine glycosylase and repaired by -polymerase. At this stage,

DNA slippage can occur, forming hairpin conformations and leading to the addition of
extra bases in the sequence. We propose that developing small molecules that have
high binding affinity to the CAG/CTG sequence can be used to clamp the DNA duplex,
preventing such slippage. We have constructed a model DNA system with a
(CAG)20/(CTG)20 unit in a 100-mer duplex, with an abasic site at the first 5'-CAG repeat
site. This work focuses on the design and synthesis of naphthyridine/azaquinoline
analogs and their potential to inhibit TNR expansion during the repair process.
CHED 363
Resveratrol and resveratrol derivatives as class IA PI3K inhibitors
Cassandra N Petty, cpetty@stedwards.edu, Eamonn F Healy, Peter King.Department
of Biochemistry, St. Edwards University, Austin, TX 78704, United States
Atherosclerosis is an accumulation of fatty deposits that can form plaque and block the
flow of blood. The hallmark of early atheroma is the appearance of foamy macrophages
which secrete cytokines, chemokine's, and reactive oxygen species. Resveratrol is
found in the skin of grapes and is an effective inhibitor of the COX reaction scheme,
known activator of the inflammatory response. We measured the effects of resveratrol
on phagocytosis, reactive oxygen species production, foamy cell formation, and
cytokine production, and found that resveratrol effectively inhibited production on all
accounts. This work also verifies -PI3Kinase as a key target for inhibition by
resveratrol. Using Accelrys Discovery Studio and a crystal structure of -PI3K obtained
from PDB we are able to demonstrate that reveratrol and certain resveratrol derivatives
exhibit high binding affinities to PI3-Kinase. We found cyclopropyl-diacetyl resveratrol to
have the highest binding efficiency due to its orientation in the binding pocket.
CHED 364
Effect of spent media isolated from Lactobacillus plantarum WCFS1 on biofilm
formation by Staphylococcus aureus
Taylor B. Stanford1, sta46946@obu.edu, Huanli Liu2, Mark E. Hart2. (1) Department of
Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998, United States (2) U.S.
Food and Drug Administration, National Center for Toxicological Research, Jefferson,
AR 72079, United States
Staphylococcus aureus is a gram-positive, facultative anaerobic bacterium that causes
the life threatening disease called Toxic Shock Syndrome (TSS), which became
prevalent in the late 70s in menstruating women using highly absorbent tampons (2).
The incident of TSS was reduced significantly when the product was removed from the
market; however, recent surveys indicate that TSS is on the rise again (1). Lactobacillus
species are a predominant member of the vaginal microflora and are known to afford a
level of protection to invading bacterial pathogens. An in vitro biofilm microtiter plate
assay was used to examine the effect of L. plantarum WCFS1 spent media on biofilm

formation by a toxic shock syndrome toxin-1 producing strain of S. aureus in various


types of media under different pH conditions. We concluded biofilm formation increased
in a modified genital tract secretion media, which mimics the vaginal environment, under
neutral pH conditions.
CHED 365
Characterization of anti cancer activities of Plantago major extracts using bone
cancer cells
Yariana E. Rodrguez-Ortiz1, yarianarodriguez@pucpr.edu, Pedro G. SantiagoCardona2. (1) Department of General Sciences, Pontifical Catholic University of Puerto
Rico, Ponce, P.R. 00717 9997, Puerto Rico (2) Department of Biochemistry, Ponce
School of Medicine & Health Sciences, Ponce, P.R. 00716-2347, Puerto Rico
The Plantago major plant has various medicinal characteristics. We examined its anticancer activity on bone cancer producing osteoblast (MC3T3 Rb-/-), as well as normal
osteoblasts (MC3T3 Rb+/+). We tested the effect of P. major extracts on apoptosis
through Caspase 3 activation and on the migration rate of the cultured cells. We also
tested the effect on cell viability using the trypan blue exclusion method. Western blots
are being performed to detect Caspase-3 expression. For the migration assay, we
performed a Scratch Assay culturing MC3T3 cells with P. major extracts and analyzed
the changes in migration. No significant change was observed in the migration rate of
the cells treated with P. major extracts but our studies showed that P. major extracts
significantly reduced the viability of MC3T3 Rb-/-. We also characterized the
components of the P. major extracts using HPLC, which showed that the organic
component has a high chemical complexity.
CHED 366
Determination of sodium fluoride and sodium monofluorophosphate in samples
using quantitative 19F-NMR
Alysha Alaimo, hoover@setonhill.edu, Diana Hoover.Division of Natural and Health
Sciences, Seton Hill University, Greensburg, PA 15601, United States
Teeth are protected by a hard enamel layer. By using fluorine-containing toothpaste the
possibility of tooth decay will decrease, however, overdose of fluorine may induce
dental fluorosis, which is a defect in tooth enamel caused by excessive fluoride intake.
Studies show that many children ingest more fluoride from toothpaste than is
recommended as a total daily intake, which poses several health concerns. Therefore,
quantitative determination of fluorine in toothpaste is necessary for health purposes. For
this study, 19F-NMR was used to determine the concentration of fluorodizers (sodium
fluoride and sodium monofluorophosphate) in toothpaste, but this technique can also be
useful for determining the amount of fluoride in other compounds such as drinking

water. With the 19F-NMR spectra the fluoride content and the speciation information of
the fluoride in each compound can be determined.
CHED 367
Retinoids modulate cellular adhesion and proliferation in the human K562 cell
line
Amanda M Hanson, amphanson@gmail.com, Jenni Goodwin, Melissa D
Kelley.Department of Chemistry, University of Central Arkansas, Conway, AR 72035,
United States
Retinoids are essential for such critical life processes as cellular adhesion and
proliferation. All-trans-retinoic acid (t-RA) and 9-cis-retinoic acid (9-cis-RA) serve as
ligands for retinoic acid and retinoid X receptors and can form heterodimeric partners
with peroxisome proliferators-activated receptor gamma (PPARgamma). Proliferation
and cellular adhesion assays were performed with K562 cells treated with troglitazone,
t-RA, 9-cis-RA or troglitazone and t-RA or 9-cis-RA. Cellular adhesion assays were
conducted on three substrates: fibronectin, FN-120, or FN-40. Our data suggest that, in
the presence of troglitazone, cells treated with t-RA or 9-cis-RA increase cellular
adhesion to both fibronectin and FN-120. Additionally, K562 cells treated with t-RA or 9cis-RA and troglitazone decrease cellular proliferation compared to cells treated with tRA or 9-cis-RA alone. We examined t-RA and 9-cis-RA metabolism in the presence or
absence of troglitazone using liquid-liquid extraction and reverse-phase HPLC.
Troglitazone appears to increase retinoid availability and modulates cellular proliferation
and adhesion.
CHED 368
Investigating the role of non-coding RNAs in pericentric heterochromatin
formation
Justin M Smith1,2, jsmith@catawba.edu, Whitney L Johnson1, William T Yewdell1,
Aaron F Straight1. (1) Department of Biochemistry, Stanford University School of
Medicine, Stanford, CA 94305, United States (2) Department of Chemistry, Catawba
College, Salisbury, NC 28144, United States
Proper chromosome segregation is necessary during mitosis and meiosis in order to
accurately segregate a cell's genome. One domain important to this process is the
pericentric heterochromatin which surrounds the core centromere on chromosomes and
ensures equal segregation of the genome. Previous research has shown that
centromeric RNA plays a role in the formation of the pericentric heterochromatin in
Schizosaccharomyces pombe. However, it is not clear if recruitment of pericentric
proteins is dependent on centromeric RNA in human cells. To test the effect of
disrupting centromeric RNA in vivo, we generated fusion protein constructs consisting of
a pericentric localizing protein, green fluorescence protein (GFP) and RNase. We

analyzed the expression of fusion proteins by Western blot, and confirmed their RNase
activity. Finally, we tested the effect of expressing these fusion proteins in cells by
analyzing fixed cells via immunofluorescence microscopy.
CHED 369
Detection of aptamer target binding with 19F NMR
Katie Petersen, kathrynlpetersen@student.cofo.edu, Jerry C Easdon.Department of
Chemistry, College of the Ozarks, Pt. Lookout, MO 65726, United States
We have explored the use of 19F NMR to detect aptamer binding. The project involves
comparing methods to prepare fluorinated aptamers and then measuring fluorine NMR
chemical shift changes upon binding to the aptamers target. Synthetic methods
explored include DNA synthesis with fluorine containing nucleoside phosphoramidites,
PCR with fluorine containing nucleoside triphosphates, and late stage fluoroalkylation.
CHED 370
Generating new protein models for thiolate-ligated heme ligand switch proteins
using cytochrome c
Lindsey M. Ludwig, ludwilaa@uni.edu, Melisa M. Cherney.Department of Chemistry
and Biochemistry, University of Northern Iowa, Cedar Falls, IA 50614, United States
Thiolate-ligated heme proteins contain a heme cofactor that is bound to a cysteine
residue. Included in this group are six-coordinate heme proteins which are regulated by
a ligand switch from the cysteine thiolate ligand to a neutral ligand upon reduction of the
heme iron. The exact mechanism of this switch is unknown. The purpose of this
research is to create a model protein using cytochrome c, a robust and incredibly wellcharacterized protein which contains a built-in ligand switch (the alkaline conformational
transition). In this study we have generated a series of yeast iso-1-cytochrome c
variants which contain a Met80 to Cys mutation that creates a thiolate-ligated ferric
heme. These variants contain mutations which introduce potential histidine ligands for
the switch, eliminate native histidine residues, and/or stabilize the overall protein
structure. The results of these studies and their relevance to other heme-thiolate
proteins will be discussed.
CHED 371
Quantification of blood plasma ghrelin levels in aggressive and depressive CF-1
male mice Mus musculus
Clint Badger1, julie.himmelberger@desales.edu, Boyce Jubilan2, Julie Aaron1. (1)
Department of Natural Science, DeSales University, Center Valley, PA 18034, United

States (2) Department of Social Sciences, DeSales University, Center Valley, PA


18034, United States
Ghrelin is a peptide hormone secreted by the stomach in mammals. Ghrelin has been
linked to increase the food intake of high fat foods while also being a potential stimulator
of growth hormone from the anterior pituitary gland. Elevated levels of ghrelin have
been identified in depressed humans, however quantitative studies of ghrelin levels in
the blood stream in highly depressed and aggressive mammals have not been
completed. In this study ghrelin levels are monitored in CF-1 laboratory mice, Mus
musculus, prior to and after socialization by a chronic social defeat stress protocol,
resulting in aggressive and depressive groups. It is hypothesized that aggressive mice
will have lower ghrelin concentrations and depressive mice will have higher ghrelin
concentrations. Blood plasma ghrelin levels are analyzed using a mouse ghrelin specific
ELISA assay from EMD Millipore.
CHED 372
Properties of a new series of acetyl-ethyl-pyrazine thiosemicarbazones (ACEPTSC's) and their copper(II) complexes
Alexandra Arriaga, Aaarriagal42@students.tntech.edu, Carrie Thompson, Kathleen
Mansur, Edward C Lisic.Department of Chemistry, Tennessee Technological University,
Cookeville, TN 38505, United States
Thiosemicarbazone compounds are a class of multidentate ligands that contain
potential binding sites for a wide variety of metal ions such as iron and copper. This
work will present the synthesis of a series of new, never before synthesized, 2-acetyl-3ethylpyrazine thiosemicarbazone compounds (AEPZ-TSC's). These new compounds
are potential anti-cancer agents, as they most likely interfere with ribonucleotide
reductase, an iron-containing enzyme used by cells to produce DNA. They are
structurally similar to Triapine, which has undergone Phase 2 clinical trials. The work
includes the structural characterization of the new compounds by 1H NMR
spectroscopy. The purpose of this project was to synthesize, characterize, and
determine the minimum inhibitory concentration (MIC) of this series of compounds for
four bacteria (Bacillus subtilis, Staphylococcus aureus, Escherichia coli, and
Pseudomonas aeruginosa), two yeast (Candida albicans and Saccharomyces
cerevisiae), and a mold (Aspergillus niger) to determine the indication of biological
activity and anti-proliferation capacity.
CHED 373
Pyruvaldehyde bis-thiosemicarbazone ligands and metal complexes
Amanda Koch, alkoch42@students.tntech.edu, Christine N Beck, Kathleen Mansur,
Edward C Lisic.Department of Chemistry, Tennessee Technological University,
Cookeville, TN 38505, United States

Pyruvaldehyde was reacted with seven different thiosemicarbazide compounds to give


a series of seven pyruvaldehyde bis-thiosemicarbazone compounds. These
complicated compounds were characterized by 1H NMR. The compounds produced are:
pyruvaldehyde bis-thiosemicarbazone, pyruvaldehyde bis-methylthiosemicarbazone,
pyruvaldehyde bis-ethylthiosemicarbazone, pyruvaldehyde bistertbutylthiosemicarbazone, pyruvaldehyde bis-benzilthiosemicarbazone, pyruvaldehyde
bis-phenylthiosemicarbazone, and pyruvaldehyde bis-dimethylthiosemicarbazone.
These compounds were reacted with various metals to form metal complexes and then
tested to prove or disprove biological benefits. The antimicrobial activity of these
synthesized pyruvaldehyde thiosemicarbazones and the metal complexes of these
compounds will be tested by determining the minimum inhibitory concentrations against
four bacteria (Bacillus subtilis, Saphylococcus aureus, Escherichia coli, and
Pseudomonas aeruginosa), two yeast (Canida albicans and Sacchromyces cervisiae),
and two molds (Aspergillus niger).
CHED 374
Synthesis and characterization of new copper (II)quinoline-2-carboxaldehyde
thiosemicarbazone compounds
Lizzie L Monroe, Llmonroe42@students.tntech.edu, Carrie Thompson, Kathleen
Mansur, Edward C Lisic.Department of Chemistry, Tennessee Technological University,
Cookeville, TN 38505, United States
This research involved the synthesis of new quinoline-2-carboxaldehyde
thiosemicarbazone compounds (QCA-TSC), characterized through 1H NMR, for the
purpose of forming complexes with transition metals. Those compounds were reacted
with Cu(II). We present here the synthesis of new Cu(II) quinoline-2-carboxaldehyde
thiosemicarbazone (Cu-QCA-TSC)compounds. Various entries on thiosemicarbazones
in the literature indicate a potential use in biological and biomedical applications.
CHED 375
Investigations of PurP proteins from Methanocaldococcus jannaschii and
Thermococcus kodakarensis
Noah R. Aguayo, nraguayo@mail.roanoke.edu, Catherine A. Sarisky.Department of
Chemistry, Roanoke College, Salem, Virginia 24153, United States
Our lab studies purine biosynthetic pathways in Archaea. PurP enzymes catalyze the
ATP- and formate-dependent conversion of 5-aminoimadazole-4-carboxamide-1--Dribofuranosyl 5'-monophosphate (ZMP) to 5-formaminoimidazole-4-carboxamide-1--Dribofuranosyl 5'-monophosphate (FAICAR). The genes from the organisms
Methanocaldococcus jannaschii (MJ0136) and Thermococcus kodakarensis (TK0196
and TK0203) were cloned into pMAL-c5E vector. Previously we have investigated in
vitro activity of these predicted PurP enzymes. Neither Thermococcus kodakarensis

protein showed activity in vitro. As an alternate approach, we are testing a


complementation system using purine auxotrophic E. coli cells. It was found that the
cells with the MJ0136-containing vector exhibit prototrophy. Complementation results
for TK0196 and TK0203 will be discussed.
CHED 376
Identification of alternative pathways to prenyl diphosphates involved in cell wall
assembly in Mycobacterium tuberculosis
Courtney Nygaard, cnygaard08@winona.edu, Francis M Mann.Department of
Chemistry, Winona State University, Winona, Minnesota 55987, United States
Mycobacterium tuberculosis (Mtb) has six genes, Rv0562, Rv0989c, Rv1086, Rv2361c,
Rv3383c, Rv3398, that encode for related enzymes. These enzymes produce various
prenyl diphosphates (PDP), which are different sizes and stereochemistry. The products
of these enzymes facilitate the production of cell wall components and PDPs assist in
the transfer of polysaccharides into the cell wall. The proteins encoded by Rv0989c,
Rv1086, and Rv2361c, make products that elongate to form decaprenyl phosphate,
which is the natural pathway and product in Mtb; however, there are alternative
pathways indicating that Mtb can survive by assembling its cell wall with different
products. This experiment identifies alternative natural pathways, which could identify
enzymatic antibiotic targets. Escherichia coli is utilized to express the Mtb genes in nonnative sequences and assess the production of novel PDPs. The products were
harvested from lysed cells and analyzed via GC-MS and TLC against a background E.
coli metabolism.
CHED 377
Effect of tris buffer on calf intestinal alkaline phosphatase
Ajibola B Bakare, abbakare15@transy.edu, Eva Csuhai, Kayarash Karimian,
kxkarimian14@transy.edu.Transylvania University, Lexington, Kentucky 40508, United
States
Enzymes are highly selective biological molecules that speed up the rate of metabolic
reaction. Living organisms usually maintain a relatively constant internal environment
that keeps enzymes active, and deviation from norm would denature enzymes. This is
true for most enzymes; however, calf intestinal alkaline phosphatase deviates from this
norm. Our previous experiment showed that calf intestinal alkaline phosphatase was
activated by trifloroethanol in carbonate buffer at pH 10 and temperatures 45C, 65 C.
In our study, we tested the effect of Tris buffer at pH of 8 and 9, and at temperatures 25
C, 45 C and 65 C on calf intestinal alkaline phosphatase. Para-Nitophenylphosphate
was used as a substrate for the alkaline phosphatase in this experiment, after which the
absorption and concentration of the reaction were recorded using spectrophotometer.

CHED 378
Gallic acid, an inducer of apoptosis to human oral carcinoma HSC-2 cells, as
mediated through oxidative stress
Esther F. Robin, Esteerobin8@gmail.com, Jordana R. Wietschner,
jwietschner@gmail.com, Jeffrey H. Weisburg, Harriet L. Zuckerbraun, Alyssa G.
Schuck, Harvey Babich.Department of Biology, Stern College for Women, New York,
NY 10016, United States
Gallic acid is preferentially cytotoxic to cancer cells, and acts as a prooxidant to induce
cell death via apoptosis. This research demonstrates a cause-and-effect relationship
between production of hydrogen peroxide by gallic acid and its subsequent induction of
apoptosis to human oral carcinoma HSC-2 cells. FOX assay shows that gallic acid is a
strong generator of H2O2. Depletion of intracellular reduced glutathione (GSH,) was
observed in HSC-2 cells exposed to increasing levels of gallic acid. Also, the decrease
in intracellular GSH in HSC-2 cells treated with gallic acid was reduced by coexposure
with CoCl2. Flow cytometric analyses of HSC-2 cells showed that with increased gallic
acid concentration, viable cells decreased while apoptotic and dead cells increased. In
the presence of Co2+, the cells were essentially rescued from apoptotic death. The
mechanism of apoptotic cell death in HSC-2 cells exposed to gallic acid is via the
induction of oxidative stress.
CHED 379
Functional dissection of BRCA1 A complex proteins, Abraxas, and BRCC36
Gnesis Milln-Serrano1, genesis.millan@upr.edu, Andrew Castillo2, Paul Atanu2, Bin
Wang2. (1) Department of Natural Science, University of Puerto Rico - Aguadilla,
Aguadilla, PR 00604-6150, Puerto Rico (2) Department of Genetics, University of
Texas MD Anderson Cancer Center, Houston, TX 77030, United States
Genome integrity is essential for the survival of the cells; therefore the ability to respond
to DNA damage is critical. Breast cancer-1 (BRCA1) participates in the DNA damage
response and co-localizes with Abraxas and BRCC36, as it forms a multi-protein
BRCA1 A-complex. The mechanism by which BRCA1 A-complex proteins functions
remains elusive. Abraxas serves as an adapter protein in the complex. BRCC36
contains deubiquitination activity and has recently been observed to multimerize with
itself. To further understand the role of BRCA1 A-complex proteins, we aim to dissect
these genes functions through the generation of multiple mutants and their expression
in cells for functional analysis. Abraxas cDNA mutants were able to detect transient
expression in mouse embryonic fibroblasts cells. Dissected BRCC36 clones show that
the multimerization domain is located between the MPN domain and Coiled-Coil
domain. Further analysis will be performed to comprehend the organization and function
of the complex.

CHED 380
NMR study of the thermal denaturation of TIAM PDZ domains
Reena Dev, reena.dev@loras.edu, David C. Speckhard.Department of Molecular and
Life Sciences, Loras College, Dubuque, IA - Iowa 52001, United States
T- cell lymphoma invasion and metastasis 1 and 2 (TIAM1 and TIAM2) proteins are
guanine nucleotide exchange factors that specifically activate GTPase Rac and are
implicated in the regulation of biological functions. TIAM1 and TIAM2 are composed of
different interacting PDZ domains and thus in QM (quadruple mutant) TIAM1, the four
residues crucial for the differences in binding specificity for partner peptides were
replaced with the corresponding TIAM2 residues and the specificity became more like
TIAM2 PDZ domain. Additionally, TIAM1 and TIAM2 domains also display differences in
stabilities. TIAM1 can be stored for long period of time while QM and TIAM2 cannot. We
have been able to demonstrate differential stabilities of N15 HSQC amide signals in
spectra of QM PDZ taken at 25 C and 45 C We will report the thermal titration of these
groups in the presence/absence of binding partner, and will report how altering the key
residues impacts stability.
CHED 381
CYP2E1 overexpression induces mitochondrial biogenesis in HepG2 cells
Logan Rice, caro@hendrix.edu, Andres Caro.Department of Chemistry, Hendrix
College, Conway, Arkansas 72032, United States
HepG2 cells overexpressing cytochrome P450 2E1 (CYP2E1) were generated by
transfection with a pCI expression vector containing the human CYP2E1 cDNA, and
selected with the use of geneticin. Overexpression of CYP2E1 was confirmed at the
RNA level by reverse-transcriptase PCR, at the protein level by western blot, and at the
enzymatic activity level by 7-methoxy-4-trifluorocoumarin O-demethylation. Control
HepG2 cells were transfected with the empty pCI plasmid. The content of mitochondrial
DNA in CYP2E1-overexpressing HepG2 cells (determined by real-time PCR and
expressed relative to nuclear DNA content), was two-fold higher than that of control
HepG2 cells. In parallel, the level of reactive oxygen species expressed as
dichlorodihydrofluorescein oxidation rate and determined by flow cytometry increased
two-fold with respect to control HepG2 cells. These results support a working
hypothesis where CYP2E1 overexpression induces mitochondrial DNA synthesis,
probably by increasing oxidative stress levels.
CHED 382
Effect of ethanol on mitochondrial DNA in HepG2 cells

Spencer Sanson, caro@hendrix.edu, Andres Caro.Department of Chemistry, Hendrix


College, Conway, Arkansas 72032, United States
Ethanol metabolism in hepatocytes induces oxidative stress; in turn, oxidants can
damage and deplete mitochondrial DNA. The effect of ethanol on mitochondrial DNA
(mtDNA) content and oxidative stress of hepatocytes was explored using a human
hepatoma cell line (HepG2 cells). Ethanol did not induce significant cell death in HepG2
cells at concentrations of up to 100 mM. Ethanol produced a dose-dependent increase
in the level of cellular oxidants, evaluated by dichlorodihydrofluorescein oxidation and
determined by flow cytometry. The content of mDNA was determined by real-time PCR
and expressed relative to the nuclear DNA content. At 100 mM, ethanol produced a
30% decrease in mtDNA content with respect to untreated cells. These results support
a working hypothesis where ethanol produces partial depletion of mtDNA, probably by
increasing oxidative stress levels.
CHED 383
Docosahexaenoic acid induces mitochondrial biogenesis in HepG2 cells
Johnny Tran, caro@hendrix.edu, Andres Caro.Department of Chemistry, Hendrix
College, Conway, Arkansas 72032, United States
Docosahexaenoic acid (DHA) is a polyunsaturated fatty acid abundant in fish oil, which
is very sensitive to oxidation; in turn, lipid-derived oxidants can damage and deplete
mitochondrial DNA. Mitochondrial biogenesis is a compensatory mechanism which is
activated by many cells under oxidative stress to maintain mitochondrial DNA (mtDNA)
levels. The effects of DHA on mitochondrial biogenesis in hepatocytes were explored
using a human hepatoma cell line (HepG2 cells). At 20 uM, DHA produced a two-fold
increase in mtDNA content with respect to untreated cells. Mitochondrial transcription
factor A (TFAM) is a key component of the mtDNA biosynthesis pathway. DHA at 20 uM
produced a 60% increase in TFAM mRNA, and a 40% increase in TFAM protein levels.
Pre-incubation with trolox, an amphipathic antioxidant, prevented the increase in mtDNA
caused by DHA. These results support a working hypothesis where DHA increases
mtDNA biosynthesis by inducing TFAM expression, probably via oxidative stress.
CHED 384
Use of bioinformatics tools to investigate molybdate ABC transporters in
Thiomicrospira crunogena
Emily Santellan, easantellan@ollusa.edu, Teresita Munguia.Department of
Mathematics and Science, Our Lady of the Lake University, San Antonio, Texas 78207,
United States
Thiomicrospira crunogena is a chemolithoautotroph that lives in deep sea vents in the
Atlantic and Pacific oceans. T. crunogena uses reduced sulfur compounds as a fuel

source for carbon fixation and has developed multiple adaptations to obtain inorganic
molecules to sustain life in deep sea vents. Transporters play important roles in the
uptake and export of substrates across the cellular membrane to maintain homeostasis
within the organism. The use of bioinformatics tools was used to annotate the
molybdate ABC transporter system. Bioinformatic tools help to determine putative
structure and location of mod A, mod B, mod C genes on the cellular membrane.
Molybdate ABC transporters in T. crunogena do not contain a fourth protein that helps
in the transportation of substrates through the cell membrane. Understanding the
structure of ATP-Binding Cassette Transporters is important to understanding the
movement of substrates and how the substrate is distributed within the cell.
CHED 385
Docosahexaenoic acid induces glutathione synthesis in HepG2 cells
Etienne Nzabarushimana, caro@hendrix.edu, Andres Caro.Department of Chemistry,
Hendrix College, Conway, Arkansas 72032, United States
Docosahexaenoic acid (DHA) is a polyunsaturated fatty acid abundant in fish oil, which
is very sensitive to oxidation; in turn, lipid-derived oxidants can activate redox-sensitive
transcription factors to produce a compensatory induction of antioxidant enzymes. The
effects of DHA on antioxidant defenses of hepatocytes were explored using a human
hepatoma cell line (HepG2 cells). At 20 uM, DHA produced a 3-fold increase in the
content of glutathione, the most abundant water-soluble antioxidant, with respect to
untreated cells. DHA produced a 60% increase in the mRNA levels of gammaglutamylcysteine synthetase (GCS), whose protein product catalyzes the rate-limiting
step of glutathione biosynthesis. Knockdown of Nrf-2 (a key redox-sensitive
transcription factor, which binds to the gamma-GCS promoter) with siRNAs, blocked the
effect of DHA on glutathione content. These results support a working hypothesis where
DHA increases glutathione synthesis by inducing gamma-GCS expression, probably via
Nrf-2.
CHED 386
FT flowering gene examination in Cannabis sativa
Sarah A Anderson1,2, sarah.anderson@loras.edu, George Weiblen2, David
Speckhard1. (1) Department of Biochemistry, Loras College, Dubuque, Iowa 52001,
United States (2) Department of Plant Biology, University of Minnesota, Saint Paul,
Minnesota 55108, United States
Often plants are used either for their flowers or the fruit that is produced from the
flowers; however, the plant must receive triggers for flowering to occur. Many of the
exact triggers that cause specific plants to switch from their vegetative states into
flowering states have not yet been discovered. The flowering of Cannabis sativa was
examined through the isolation of its FT gene. FT has previously shown to be significant

in the conversion from vegetative to flowering in model plants. The FT gene in Cannabis
was identified, sequenced, and compared to published FT sequences of various other
plants to form a phylogenic tree. In Cannabis specifically, active ingredients are found in
the flowers; to be able to control when the plant flowers gives control over the
production of the active ingredients. Since flowering in Cannabis has not previously
been explored, this study was a starting point for future research.
CHED 387
WITHDRAWN
CHED 388
Evaluation of the azinomycin gene cluster
Chardai Grays2, chardai14g@yahoo.com, Dinesh Simkhada1, Coran M. H.
Watanabe1. (1) Department of Chemistry, Texas A&M University, College Station,
Texas 77840, United States (2) Department of Chemistry, Dillard University, New
Orleans, LA 70122, United States
Azinomycins have putative resistance proteins, HRP1 and HRP2, found in the
azinomycin biosynthetic gene cluster. These proteins appear to be selective toward
azinomycin B (AzB) and demonstrate a protective effect against azinomycin's cytotoxic
effect. Understanding the resistance mechanism will aid in the development of AzB as a
potent chemotherapeutic agent. AziA2 is also found within azinomycin biosynthetic
gene cluster. It has been shown to contribute to the assembly of the skeletal backbone
of AzB. A typical non-ribosomal peptide synthase module consists of an A-PcP-C
module. However, AziA2 consists of a C-PcP-C module with two active condensation
domains. Knockout of the module yielded no AzB production and domain analysis of the
PcP-C module led to the discovery of a new metabolite. Collection/isolation of the
metabolite, using an HPLC instrument, can lead to future studies dealing with
characterization of this metabolite giving insight into the activation and role of the
condensation domains.
CHED 389
Design of robust LuxS activity assay protocol and synthesis of known inhibitor
for inhibition assays
David J Silpa, djsilpa@dons.usfca.edu, Keeshia Wang, Megan E. Bolitho.Department
of Chemistry, University of San Francisco, San Francisco, California 94117, United
States
Quorum sensing (QS) is a biochemical process used by many bacterial species to
communicate via small-molecule "auto-inducers." QS Systems 1 and 2 are used to
communicate within and across species, respectively. QS-2 has been shown to regulate

virulence expression in many pathogens and is thus a drug-development target; LuxS,


an enzyme integral to QS-2 has been identified as a target for inhibition. An Ellman's
assay is employed to spectrophotometrically observe LuxS activity and has herein been
rigorously optimized. This assay will be used to quantify LuxS inhibition by small
molecules, including a benchmark inhibitor reported in literature for which syntheses are
attempted.
CHED 390
Identification of licorice root components for prostate cancer therapeutics using
triple quadrupole GC-MS
Evan S DuBose1, edubose@scmail.spelman.edu, Marisela D Mancia1, Michelle E
Reid1, James A Campbell2, Kimberly M Jackson1. (1) Department of Chemistry,
Spelman College, Atlanta, GA 30314, United States (2) Chemical and Biological
Signature Sciences, Pacific Northwest National Laboratory, Richland, WA 99352,
United States
Licorice root (Glycyrrhiza glabra), an herbal Chinese medicine, has shown medicinal
uses in therapeutics and cancer prevention. Dibenzoylmethane (DBM), a small diketone, has been reported to be a minor constituent of licorice and a known
deregulator of human prostate cancer cell cycle. Characterization of the phytochemical
profiles of licorice root forms including commercially available DBM will advance our
search in identifying novel reagents for prostate cancer therapeutics. Gas
chromatography- triple quadrupole-mass spectrometry analysis was used for detecting
DBM in licorice root extracts. DBM and all licorice forms exhibited a component at a
retention time of 14.5 minutes. The major fragment ions detected were m/z 77, 105,
147, 223 and 224 at the identified retention time. Selected reaction monitoring (SRM)
confirmed DBM as a minor constituent of G. glabra. This study provides a GC-MS/SRM
method which helps in the identification of small trace compounds and minor
components in complex biological matrices.
CHED 391
Site-directed mutagensis and spectroscopic studies of the oxygen sensing hemePAS FixL protein
Avery Vilbert, avilbert88@gmail.com, EuTchen Ang, eutchen.ang@gmail.com, Mark
Reynolds.Chemistry, Saint Joseph's University, Philadelphia, PA 19131, United States
The oxygen sensing FixL protein from Sinorhizobium meliloti regulates nitrogen fixation
in the hypoxic root nodules of alfalfa plants. FixL is part of the heme-PAS and twocomponent histidine kinase families of biological sensors. We have examined the role of
conserved Fa-helix residues in the heme domain of SmFixL* using site-directed
mutagenesis and various spectroscopies. The Fa-helix variant proteins R200(A, E, Q,
H), Y197A and D195A were expressed at reasonable levels and purified to

homogeneity, but the R200I and Y201A variants did not express in observable
quantities. Spectroscopic studies (UV-vis, CD and resonance Raman) and kinase
activity assays of these Fa-helix SmFixL* variant proteins indicate that R200 and Y197
are likely important in oxygen sensing at the heme site and signal transduction to the
kinase domain. These studies may help elucidate a detailed mechanism for the gas
sensing heme-PAS proteins and other two-component histidine-kinase sensors in
nature.
CHED 392
Save your Bible the organic way
Soham Mody, soham.mody@pop.belmont.edu, Rachel Rigsby.Department of
Chemistry and Physics, Belmont University, Nashville, Tennessee 37212, United States
Modern scientists are rigorously trying to mimic nature to solve problems with reduced
toxicity and in less harmful ways. The object of the following research assignment was
to use an organic substance like cinnamon oil (cinnamaldehyde), found naturally in the
bark of the cinnamon tree, to fight common household pest such as mold to save our
books. Cinnamon oil is industrially used as chewing gum flavoring and agriculturally as
a plant pesticide against fungal growth. Previous research has shown that
cinnamaldehyde acts as a non-competitive inhibitor of an essential cell wall component
of yeast cell and prevents fungal growth. The aim of this research is to understand this
process better and come up with a benign way to make paper antifungal.
CHED 393
Translesion synthesis of Y-family polymerase Dpo4
David Wilson, dave.wilson85@hotmail.com, Melissa Brulotte, Sam Lone.Department of
Chemistry, Bridgewater State University, Bridgewater, Massachusetts 02325, United
States
It is well understood that mutations in critical genes are responsible for a variety of
diseases including cancer. Chemical carcinogens can lead to mutations by attaching to
the DNA bases and interfering with the normal replication process. Replication through
these DNA lesions is performed by a novel class of DNA polymerases identified as
translesion synthesis (TLS) polymerases. To better understand how these DNA
polymerases are able to replicate across DNA lesions, we are determining the structure
and function of archaeal TLS polymerase Dpo4 bound to free radical lesion 8-oxo-7,8dihydroadenosine (8-oxo-A). Single nucleotide template-primer extension analysis
reveals that Dpo4 inserts the correct nucleotide dTTP across from 8-oxo-A lesion. We
have successfully crystallized Dpo4/8-oxo-A complexes and currently, we are working
on crystal optimization, cryoprotection, and diffraction data collection.
CHED 394

YfdW and YfdU are required for oxalate-induced acid tolerance in Escherichia coli
Karen E Ezelle, toyotcg@millsaps.edu, John M McAfee, toyotcg@millsaps.edu, Cory
G Toyota.Millsaps College, Jackson, MS 39210, United States
E. coli has several mechanisms for surviving low pH stress. We report that oxalic acid, a
small chain organic acid (SCOA), induces a moderate acid-tolerance response (ATR)
under two conditions. Cells adapted at pH 5.5 with 50 mM oxalate and subsequently
challenged in minimal medium at pH 3.0 demonstrate increased surivival. In addition,
there is also a significant protective effect when cells are challenged in the presence of
25 mM oxalate at pH 3.0. We report that the enzymes YfdW, a formyl-CoA transferase,
and YfdU, an oxalyl-CoA decarboxylase, are required for the adaptation effect, but are
not necessary for the protective effect during challenge alone. The mechanism is not yet
understood, but we demonstrate this oxalate-dependent ATR is not affected by Ca2+
depletion.
CHED 395
Investigation of the capsule polysaccharide expression pathway of Vibrio
vulnificus
Joseph M Hazel, jmhazel@uncc.edu, Anahita Z Mostafavi, amostafa@uncc.edu,
Margaret A Chahoud, mchahoud@uncc.edu, Jerry M Troutman.Department of
Chemistry, University of North Carolina at Charlotte, Charlotte, NC 28223, United States
Vibrio vulnificus is a gram-negative bacterium found in raw shellfish that causes more
seafood-borne fatalities in the US than any other bacterium, and virulence has been
linked to capsule expression. The capsule of strain M06-24 is a repeating
tetrasaccharide composed of three -N-acetyl-quinovosamine (QuiNAc) residues and
one -N-acetyl-galactosamine uronic acid (GalNAcA) residue, yet the role of individual
enzymes in the expression pathway is not yet understood. The operon responsible for
capsule production is believed to contain twelve genes. These genes are hypothesized
to encode seven sugar modifying enzymes and the four glycosyltransferases. The
proteins encoded by these genes have been isolated and purified. My work focuses on
the functional identification of the proteins involved in capsule production. The pathway
of enzymes responsible for the production of GalNAcA has been identified. In addition,
the roles of several enzymes involved in the production of QuiNAc have been
elucidated.
CHED 396
Antioxidant activities of quercetin and novel flavonoid derivatives
Scott E York, scott.york@bobcats.gcsu.edu, Willibroad Miamo, Chavonda J
Mills.Department of Chemistry,Physics & Astronomy, Georgia College & State
University, Milledgeville, Georgia 31061, United States

Cyclooxygenase is responsible for the oxidation of arachidonic acid into prostaglandins,


which are used in various functions within the body including common processes such
as GI maintenance. One isoform of Cyclooxygenase, Cyclooxygenase-2 (COX-2), is
specifically credited with the role of causing inflammation, and is often overexpressed
within cancerous tumors.Thus, studies suggest that inhibition of COX-2 could be used
to treat and prevent cancer. It is also proposed that due to the selective nature of this
isoform, the inhibition of COX-2 can occur without the harmful effects of COX-1
inhibition. Aurones, a subclass of flavonoids, express COX-2 inhibitory activity by
serving as scavengers of free radicals. Specifically, the flavonoid derivative, quercetin is
being examined for its antioxidant activity with specific attention towards the presence of
hydroxyl groups. Using DPPH as a free radical producer, quercetin, its methylated
counterpart, and novel aurone derivatives were investigated for their free radical
scavenging activities.
CHED 397
Oxalate-dependent acid tolerance response in Escherichia coli
Maryam N Qureshi, toyotcg@millsaps.edu, Cory G Toyota.Department of Chemistry
and Biochemistry, Millsaps College, Jackson, MS 39042, United States
E. coli has evolved several mechanisms for surviving low pH stress. We report that
oxalic acid, a small chain organic acid (SCOA), induces a moderate acid-tolerance
response (ATR) in two ways. Adaptation at pH 5.5 with 50 mM oxalate and inclusion of
25 mM oxalate in the pH 3.0 minimal challenge medium separately conferred protection:
67 7% and 87 17% survival after 2 hours, respectively. Combination of oxalateadaptation and oxalate supplementation in the challenge medium resulted in increased
survival over adaptation or oxalate in the challenge medium alone. Cells show
significant protection after 15 min exposure to 50 mM potassium oxalate. This oxalatedependent ATR is strongest at pH 3.0, but there is also significant, but reduced
protection at pH 2.5. We theorize that this oxalate ATR could enhance the pathogenesis
of virulent E. coli consumed with oxalate-containing foods like spinach.
CHED 398
Accurate measurement of protein concentrations in snake venoms using
ovalbumin as a standard protein in the linearized Bradford assay
Christian E Herrera, john.osterhout@angelo.edu, John J Osterhout.Chemistry and
Biochemistry, Angelo State University, San Angelo, Texas 76909, United States
Accurate measurement of protein concentrations in mixtures, such as snake venom, is
difficult due to the unknown extinction coefficients of a mixture and different responses
to protein assays (such as the Bradford assay). The use of extinction coefficients would
not be possible even if the extinction coefficients of all the individual proteins were
known. Here we show that North American, Asian and African snake venoms all

demonstrate approximately the same response to the linearized Bradford assay on a


dry weight basis. The response of ovalbumin to the linearized Bradford assay is
approximately the same as the snake venoms and different from that of other common
proteins standards, such as bovine serum albumin or -lactaglobulin. The concentration
of ovalbumin can be determined spectrophotometrically, giving accurate and
reproducible preparation of standard curves. The combination of the linearized Bradford
and ovalbumin standards promisses a reproducible and universal assay for snake
venoms.
CHED 399
Performing multiplex real-time quantitative PCR according to MIQE guidelines
Charis Noteboom, cen82865@bethel.edu, Bynthia Anose.Department of Chemistry,
Bethel University, Arden Hills, Minnesota 55112, United States
Reverse Transcription Quantitative Polymerase Chain Reaction (RT-qPCR) is a
molecular technique that allows the quantification of minute amounts of nucleic acid
material. It has gained popularity over the past decade because of its known sensitivity,
specificity, and reproducibility. qPCR differs from traditional PCR in that quantitative
measurements are taken after each amplification step. Despite its great potential, qPCR
is rarely utilized effectively due to numerous stages where error can be introduced.
Areas of error include poor RNA quality before reverse transcription, improper primer
design, and inadequate selection of reference genes. Because of this, minimum
guidelines have been established (MIQE) to ensure that data obtained by RT-qPCR are
legitimate and reproducible. Following these guidelines, it has been determined that the
expression of Zinc finger E-box Binding factor 1 (ZEB1), a putative metastasis
biomarker, increases by greater than 50 % in a metastatic breast tumor relative to the
corresponding normal breast tissue.
CHED 400
Oxalic acid and Escherichia coli
Kristin M Salmon, toyotcg@millsaps.edu, Cory G Toyota,
toyotcg@millsaps.edu.Millsaps College, Jackson, MS 39210, United States
Small chain organic acids (SCOA), like acetate and benzoate, have long been used as
preservatives because of their bacteriostatic properties. Interestingly, these same acids
also induce protective effects in Escherichia coli cells that are subsequently challenged
under low pH conditions. Here we report that increasing concentrations of oxalate (1
250 mM) have a bacteriostatic effect on cells grown in complex medium (pH 5.5).
However, exposure to oxalate also induces an acid tolerance response (ATR) that
protects stationary phase E. coli for several hours at pH 3.0. Unlike acetate and
benzoate, this protective effect does not appear to be under the control of the sigma
factor RpoS, also known as the master regulator of stress in E. coli. Our deletion mutant

data indicate that this oxalate-dependent ATR is linked to phoQ, part of the two
component PhoPQ signal transduction system, and gadE a central regulator of acid
resistance in E. coli.
CHED 401
Structural and functional studies of the Y-family DNA polymerase Pol
Natasha Mariano1, n1mariano@student.bridgew.edu, Jason Walsh2, Ramya
Parasuram2, Mary Jo Ondrechen2, Penny Beuning2, Samer Lone1. (1) Department of
Chemical Sciences, Bridgewater State University, Bridgewater, Massachusetts 02325,
United States (2) Department of Chemistry and Chemical Biology, Northeastern
University, Boston, Massachusetts 02115, United States
Our cells are continuously attacked by chemical agents, which can lead to the formation
of DNA lesions. The integrity of our DNA is vital for human survival; otherwise, we risk
mutations leading to disease. Recently, the Y-family polymerases were discovered to
perform replication through DNA lesions. Biochemical and structural analysis reveals
that unlike the replicative polymerases, the Y-family DNA polymerases are able to
accommodate the distortions presented by the lesions. Each of the Y-family DNA
polymerases has unique structural components enabling them to accommodate the
variety of DNA distortions created by the lesions. The N-clasp region of DNA Pol has
been described to be essential for this polymerase's ability to extend mismatched DNA.
To further elucidate the importance of the N-clasp of Pol, we used POOL and
THEMATICS to predict residues essential for activity. We will present the role of the Nclasp domain in the bypass of DNA mismatches.
CHED 402
Development of a fluorescence-based assay for RNA-ligand discovery
Shapnil Bhuiyan, ek6466@wayne.edu, Danielle N Dremann, Alain Bertous,
Moninderpal Kaur, Christine S Chow.Department of Chemistry, Wayne State University,
Detroit, Michigan 48202, United States
Helix 69, or H69, of the ribosome plays a key role in initiation and termination of
translation. Small-molecule binding to this region could lead to inhibition of protein
synthesis, an essential process throughout phylogeny. The H69 region of bacteria has
been shown to bind certain peptides selectively, which may lead to new antimicrobials.
The goal of this study is to identify compounds that bind to H69 by developing and using
an optimized fluorescence-based assay. The assay uses TentaGel beads with bound
synthetic peptides, biotinylated H69, and streptavidin-tagged quantum dots (Qdots). The
interaction of H69 with the immobilized peptide is indicated through Qdot emission,
which is visualized under a fluorescence microscope. The relative fluorescence value is
quantified using Adobe software. In the future, the assay will be used to identify new
binding ligands for H69.

CHED 403
Using CD spectroscopy and gel electrophoresis to analyze DNA cleavage by
bifunctional DNA-cleaving reagents
Lauren M Hoth, kramewh@millsaps.edu, Malika Shettar, Emily H Stewart, Bentley W
Curry, Wolfgang H Kramer.Department of Chemistry and Biochemistry, Millsaps
College, Jackson, MS 39210, United States
Current Photodynamic therapy uses sensitizers to generate singlet oxygen which
causes cell death. The hypoxic environment of most cancer tissues makes oxygen a
limiting reagent for this approach and several methods have recently been developed to
circumvent this problem. N-Heteroaromatic compounds with an N-alkoxy substituent
(onium salts) contain a photofragmentable N-O bond. Light activated homolytic bond
cleavage leads to the formation of a heteroaromatic radical cation and an alkoxy radical.
Both of these species have been shown to induce DNA cleavage, each with a different
mechanism. The synthesis of the nitrogen onium salts includes the oxidation of the
heteroaromatic nitrogen and subsequent O-alkylation. To increase the DNA cleaving
effiency by enhancing ground-state association we synthetically attached a known DNAbinder, 1,8-naphthalimide. The DNA cleaving efficiency is evaluated by gel
electrophoresis and CD spectroscopy.
CHED 404
Synthesis and evaluation of the glutathione-3-methyleneoxindole conjugate as a
potential inhibitor of human glyoxalase I
Valerie A. Ivancic, VIVANCIC@student.bridgew.edu, Edward J. Brush.Department of
Chemistry, Bridgewater State University, Bridgewater, MA 02325, United States
The glyoxalase enzyme system is highly conserved among all organisms and plays a
key role in detoxifying the cytotoxic metabolite methylglyoxal into lactic acid. Glyoxalase
I (GxI) is considered an anticancer target because inhibiting the enzyme will result in a
localized buildup of methylglyoxal, which can potentially induce cell death in those
targeted cells. This research focused on an evaluation of the conjugate between
glutathione (GSH) and 3-methyleneoxindole (GSMOI) as a potential inhibitor of human
GxI. GSMOI were synthesized and characterized, and subsequently tested as a
competitive inhibitor for both yeast and human GxI. In contrast to previous research on
GSH conjugates, this work suggests that GSMOI inhibits yeast GxI through mixed
inhibition instead of pure competitive. It was also found that GSMOI is an inhibitor of
human GxI, and preliminary results suggest irreversible time-dependent inactivation is
occurring.
CHED 405

Stoichiometric analysis of metalloproteins by simultaneous particle-induced Xray emission spectroscopy and nuclear reaction analysis
Megan M. Sibley2, mmsible@clemson.edu, Andrew J. McCubbin1, Paul A. DeYoung1,
Graham F. Peaslee1. (1) Departments of Chemistry and Physics, Hope College,
Holland, MI 49424, United States (2) Department of Chemistry, Clemson University,
Clemson, SC 29708, United States
Particle-Induced X-ray Emission Spectroscopy (PIXE) and Nuclear Reaction Analysis
(NRA) are two highly sensitive ion beam analytical techniques which probe the
elemental constitution and areal density, respectively, of a sample. Using a 1.7 MV
tandem electrostatic particle accelerator, these methods have been utilized
simultaneously to determine the identity and stoichiometry of metal atoms within protein
samples of known metal content; results indicate the technique is a useful tool which
can be accurately extended to proteins of hitherto unknown metal stoichiometry. The
nondestructive technique, originally developed for dried protein spots on a thin support,
has been extended for metalloproteins suspended in polyacrylamide gel. This allows
use of the technique in biochemical applications in which proteins are separated by
polyacrylamide gel electrophoresis (PAGE). Various methods of sample preparation
and gel drying have been considered. Additionally, such factors as the thickness,
constitution, and possible contaminants of the gel have been investigated.
CHED 406
Alkaline phosphatase activation in the presence of trifluoroethanol solution in pH
10 carbonate vs. Tris buffer
Sam Petter, ecsuhai@transy.edu, Kayarash Karimian, Eva Csuhai.Department of
Natural Sciences and Mathematics, Transylvania University, Lexington, KY 40508,
United States
Enzymes typically get inactivated when presented with even minute amounts of organic
solvents. However, there are a few enzymes where this is does not seem to be the
case. In our study, we examined the enzyme known as alkaline phosphatase, obtained
from calf intestines. This enzyme seems to be actually activated by 2,2,2trifluoroethanol in the presence of pH 10 carbonate buffer. The focus of this experiment
is to determine the dependence of enzyme activity changes on temperature during the
activation of the enzyme with the carbonate buffer (pH 10) and the various amounts of
trifluoroethanol. The temperatures tested were 45 C, 65 C, and 85 C. The experiment
was then extended by utilizing carbonate and Tris buffers, at a pH of 9, and examining
their effects. We report on the buffer dependence of the activation of alkaline
phosphatase in trifluoroethanol.
CHED 407

Algorithm based mutagenesis analysis of the human DNA polymerase kappa Nclasp domain
Jeremy C Mar1, jmare@student.bridgew.edu, Jason M Walsh2, Ramya Parasuram2,
Mary Jo Ondrechen2, Penny J Beuning2, Samer Lone1. (1) Department of Chemical
Sciences, Bridgewater State University, Bridgewater, MA 02325, United States (2)
Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA
02115, United States
The environmental carcinogen benzo[]pyrene 7,8-diol-9,10-epoxide (BPDE) has been
reported to be a major constituent in cigarette smoke and a major carcinogen
responsible for lung cancer. DNA damaged by BPDE cannot be replicated by classical
DNA polymerases. However, human DNA pol kappa (pol) has been shown to perform
a special type of DNA synthesis known as translesion synthesis; allowing for pol to
replicate across DNA damaged by BPDE. To obtain a deeper understanding of pol's
role in benzo[a]pyrene bypass, we have used the computational methods THEMATICS
and POOL to select for residues responsible for enzymatic activity. Of significant
interest is the N-clasp domain of polk, which has been shown to be essential for this
polymerase's bypass ability. We have created several variants within the N-clasp
domain and we are currently examining how these changes affect the ability of polk to
perform bypass across DNA that has been site-specifically modified with
benzo[]pyrene.
CHED 408
Understanding the role of Y-family DNA polymerase in lesion bypass of the
chemotherapeutic drug cisplatin
Joann DeLouchrey, jdelouchrey@student.bridgew.edu, Kristina Sigman, Samer
Lone.Chemistry, Bridgewater State University, Bridgewater, MA 02780, United States
Cancer is a disease that is a major killer of humans with millions of new cases each
year. Chemotherapeutic drugs have been developed to kill cancer cells. Cisplatin is a
chemotherapeutic drug that has been shown to be effective against a variety of cancers.
Cisplatin works by crosslinking the bases of DNA within the tumor cell, preventing
replication and eventually causing the cells to die. However, individual resistance can
occur after several treatments. One possible mechanism of cisplatin resistance is
through translesion DNA synthesis by a novel class of DNA polymerases, the Y-family.
In an attempt to further understand this resistance, we have performed single nucleotide
insertion and extension assays with site-specific cisplatin-modified DNA at a -GCGsequence. For future studies, cisplatin will be cross-linked to a -GG- oligonucleotides
sequence. Replication across cisplatin will be examined by the Y-family DNA
polymerase Rev1 by primer-template insertion and extension assays.
CHED 409

Investigation into the functionality of the E. coli sliding clamp and polymerase IV
James McIsaac1, j1mcisaac@student.bridgew.edu, Philip Nevin2, Penny Beuning2,
Sam Lone1. (1) Department of Chemistry, Bridgewater State University, Bridgewater,
MA, United States (2) Department of Chemistry and Chemical Biology, Northeastern
University, Boston, MA, United States
Understanding the mysteries of the molecular world is of paramount importance where it
concerns the protein machinery that maintains and protects the functions of life. This
project was designed to pierce the veil of this unseen world and uncover answers about
the functionality of polymerase IV and the sliding clamp sub-unit of the Beta clamp.
Polymerase IV is a bacterial enzyme involved in translesion synthesis. In order to
understand what occurs when primer extension fails, unwanted cystines were removed
and an Alexa fluorophors will be attached to detect conformational changes using
single-molecule FRET. The sliding clamp works with other proteins in order to maintain
their proximity to DNA and increase processivity. Mutations have been created by
rearranging the position of domains within the clamp to determine the significance of a
nearly identical geometry between the domains. Protein function will be evaluated using
methods such as in vitro replication assays.
CHED 410
Inhibition of SbnH and select NIS synthetase enzymes in the siderophore
biosynthetic pathways of Staphylococcus aureus
Allyson A Cox, aacox@bsc.edu, Brittany S Soto, Ian P Kelly, David J. A. Schedler,
William Kittleman.Department of Chemistry and Physics, Birmingham-Southern College,
Birmingham, Alabama 35254, United States
Staphylococcus aureus is one of the leading causes of hospital-acquired infections. It is
also notorious for developing resistance to known antibiotics. The purpose of this
research is to develop new therapeutic agents that inhibit, or eliminate, the growth of S.
aureus by targeting the biosynthesis of the essential, iron-scavenging siderophores
staphyloferrin A and staphyloferrin B. Transition state/multi-substrate inhibitors of the
citrate-activating NIS synthetase enzymes SfnaB, SfnaD and SbnE have been designed
along with a fluorinated substrate analogue of the PLP-dependent decarboxylase SbnH.
SfnaB and SfnaD synthetases are located in the staphyloferrin A pathway, while SbnE
and SbnH catalyze the first and second reactions, respectively, of staphyloferrin B
biosynthesis. Cloning of all four enzymes has been carried out along with pilot
expression and purification experiments. Synthesis of the fluorinated SbnH analogue
and the enzymatic production of the SbnH substrate are underway.
CHED 411
Role for the tumor suppressor p27kip1 in cancer cell metabolism

Tyler A. Matheny, tyler-matheny@utulsa.edu, Steven Kennedy, Robert J.


Sheaff.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa, OK
74104, United States
Inappropriate proliferation of cancer cells requires the utilization of nutrients to
synthesize the biomolecules needed for production of new cells. . The Warburg effect
describes tumor dependency on aerobic glycolysis rather than the electron transport
chain to generate sufficient ATP and shunt carbons into production of biomolecules
needed for proliferation. While angiogenesis provides the tumor with a means of
obtaining the high levels of required glucose, it occurs rather late in cancer progression.
Thus, cancer cells might utilize other methods and metabolic pathways to obtain
nutrients during pre-angiogenic tumor progression. P27kip1 is thought to function as a
tumor suppressor protein via inhibition of cell cycle progression. However, a comparison
of metabolic pathways in p27 +/+ and p27-/- mouse fibroblasts suggests cells lacking
p27 can utilize nutrient sources other than glucose. This may provide cancers with
decreased p27 protein with a selective growth advantage during the early stages of
tumorigenesis.
CHED 412
Cancer cell cannibalism
Philip J Gasser, pjg022@utulsa.edu, Stephen Kennedy, Robert J Sheaff.Department
of Chemistry and Biochemistry, The University of Tulsa, Tulsa, Oklahoma 74104, United
States
Cancer cells must obtain sufficient nutrients for cell duplication. Late-stage tumors
promote angiogenesis to obtain high levels of glucose, but early stage transformed cells
cannot. To investigate how initial stage cancer cells obtain nutrients, tumor formation
was recapitulated in culture using transformed H293s. These cells initially grow as a
single layer of adherent cells, but once space is no longer available will grow on top of
one another, forming a mass of cells (or foci) analogous to a tumor. When non confluent
cells were refed with media lacking growth factors, foci formation was induced. An
analysis of cell viability within the foci suggested cells attached to the plate were
preferentially dying, which suggests cells within the foci mass are cannibalizing attached
cells to promote tumor formation. This ability to obtain nutrients from other cells could
be important for early tumor progression, and may represent a novel target for
therapeutic intervention.
CHED 413
Identifying biological targets of the novel naphthoquinone adduct 12,13dihydroN-methyl-6,11,13-trioxo-5H-benzo[4,5]cyclohepta[1,2-b]naphthalen-5,12-imine

Timothy E Nissen, tim-nissen@utulsa.edu, Stephen Kennedy, Robert J


Sheaff.Department of Chemistry and Biochemistry, University of Tulsa, Tulsa, OK
74104, United States
The naphthoquinone adduct 12,13dihydro-N-methyl-6,11,13-trioxo-5Hbenzo[4,5]cyclohepta[1,2-b]naphthalen-5,12-imine (hereafter called TU100) has been
identified as a cytotoxic agent against various cancer cell lines. It can function as a
topoisomerase inhibitor, but it is unclear whether this activity is responsible for its effects
on cell viability. TU100 can also inhibit luciferase, a class of oxidative enzyme involved
in bioluminescence. In this regard it is similar to resveratrol, a well known component of
red wine associated with longevity and anti-cancer effects. To identify other potential
biological targets of TU100, tissue culture cells were treated with TU100 and effects on
other oxygenases like monoamine oxygenase and resveratrol targets such as Sirtuin 1
were analyzed.
CHED 414
Cloning, overexpression, and purification of octopine dehydrogenase from
Argopecten irradians
Timothy Clark1, tclark15@pride.hofstra.edu, Jennifer Miller2, Alexis Ceasrine2, William
Jordan2, Maureen Krause2, Scott Lefurgy1, chmstl@hofstra.edu. (1) Department of
Chemistry, Hofstra University, Hempstead, NY 11549, United States (2) Department of
Biology, Hofstra University, Hempstead, NY 11549, United States
Octopine dehydrogenase (ODH) catalyzes the final step of glucose fermentation in the
bay scallop Argopecten irradians, producing octopine and NAD+ from pyruvate, arginine
and NADH. Three stably maintained alleles of the ODH gene were identified in
Argopecten populations in coastal areas of Long Island, on the basis of differential
protein electrophoretic mobility. The alleles differ by one to three amino acid
substitutions outside the active site. To determine the functional differences between
them, the three alleles were subcloned into a bacterial expression vector, expressed in
Escherichia coli as fusion proteins with an N-terminal affinity tag and purified by column
chromatography. The affinity tag was removed by site-specific proteolysis and
subsequent chromatography, yielding 10-15 mg of native enzyme per liter of culture.
Preliminary data suggest that the three enzyme variants differ in their amino acid
substrate preference.
CHED 415
Substrate selectivity of octopine dehydrogenase from Argopecten irradians
Jessica Spinelli, jspine6@pride.hofstra.edu, Beena Biju, Nicholas Condiles, Scott
Lefurgy, chmstl@hofstra.edu.Department of Chemistry, Hofstra University, Hempstead,
NY 11549, United States

Opine dehydrogenases comprise a family of enzymes that catalyze the final step of
anaerobic glucose fermentation in marine invertebrates. This step includes the NADH to
NAD+ recycling typically carried out by lactate dehydrogenase. These enzymes also
catalyze formation of a carbon-nitrogen bond between pyruvate and an alpha-amino
acid specific to that family member. The product is a single diastereomer with two chiral
centers that is structurally similar to some clinically effective angiotensin converting
enzyme (ACE) inhibitors. The bay scallop Argopecten irradians employs octopine
dehydrogenase (ODH), a family member that is usually specific for arginine. To assess
its selectivity for amino acids, recombinantly expressed and purified ODH was tested in
vitro against a panel of amino acids. Unlike the previously studied ODH homologue in a
related scallop, the Argopecten enzyme shows a relaxed amino acid selectivity that is
sensitive to the assay mixture composition.
CHED 416
Glycosylation of cysteine-containing ankyrin repeat proteins: New multivalent
ligands for wheat germ agglutinin
Lindsay Euers, Jessica.Hollenbeck@Trinity.edu, Michael Rodriguez, Jessica
Hollenbeck.Department of Chemistry, Trinity University, San Antonio, TX 78212, United
States
Multivalent interactions are characterized by the simultaneous binding of multiple
ligands to one or more target receptors and can occur through such binding modes as
chelation, clustering, and statistical rebinding. We have shown previously that
glycosylated ankyrin repeat (AR) proteins can be used to cluster multiple copies of the
carbohydrate-binding protein concanavalin A. To demonstrate that the same scaffold
can be used to chelate multiple binding sites on an oligomeric receptor, we have
targeted an alternate carbohydrate-binding protein, wheat germ agglutinin (WGA). WGA
forms a stable homodimer with pairs of binding sites for N-acetyl glucosamine (GlcNAc)
separated by 14 . The distance between adjacent repeats in the crystal structure of the
AR domain is ~10 , thus glycosylated AR proteins with >2 repeats should span
multiple binding sites. GlcNAc derivatives were synthesized and conjugated to pendant
thiols on the AR scaffold, generating a new class of multivalent ligands for WGA.
CHED 417
Characterization and inhibition studies of the ornithine racemase involved in
staphyloferrin A biosynthesis in Staphylococcus aureus
Jean D Rugamba, jdrugamb@bsc.edu, Ian P Kelly, David J. A. Schedler, William
Kittleman.Department of Chemistry and Physics, Birmingham-Southern College,
Birmingham, Alabama 35254, United States
Staphylococcus aureus is a gram-positive bacterium responsible for numerous
infections including those of the skin, heart, and soft tissue. It is one of the leading

causes of hospital-acquired infections and in extreme cases can lead to death. Due to
its continued development of resistance to current antibiotics there is an urgent need for
new drugs to battle this pathogenic bacteria. The purpose of this research is to develop
new therapeutic agents that inhibit the biosynthesis of staphyloferrin A (SfnA), an ironbinding siderophore produced by S. aureus. This research characterizes and carries out
mechanistic inhibition studies of the ornithine racemase, SfnaC, located in the
staphyloferrin A biosynthetic pathway. Results of characterization studies include
cloning, overexpression and purification of recombinant SfnaC, results of in vitro activity
assays, UV-vis spectral characterization of bound pyridoxal 5'-phosphate (PLP), and
initiation of the synthesis of two mechanistic-based inhibitors, an ornithine phosphonate
and a fluoroornithine analogue.
CHED 418
Inhibiting NF-B: Peptides designed as biomimetics for the treatment of epilepsy
Candace Brooke Wood, alstewart@georgiasouthern.edu, Tabitha N Williford, Amanda
L Stewart.Department of Chemistry, Georgia Southern University, Statesboro, Georgia
30460, United States
Nuclear Factor-kappa B (NF-B) is a transcription factor involved in many physiological
processes including many neurological diseases. NF-B regulates the expression of
various proteins by binding specific B DNA sites. One such protein expressed is the
brain derived neurotrophic factor (BDNF). Overexpression of BDNF is associated with
seizure activity. Some research suggests that the relationship between NF-B and
BDNF may be a key point of regulation within this signaling pathway. Peptides will be
designed and synthesized to mimic the binding site of the NF-B protein. Peptides that
bind the B DNA sequence tightly will be incorporated in inhibition studies to determine
their ability to prevent recognition of B DNA. Using fluorescence binding studies, the
peptide binding affinities for the DNA B sequence can be determined. The results will
have implications for epilepsy as well as other neurological disorders.
CHED 419
Investigation of chemotaxis protein-protein interactions in Epulopiscium sp. type
B using a yeast two hybrid system
Brie Levesque, levesqueb@hartwick.edu, Andrew Piefer.Department of Chemistry,
Hartwick College, Oneonta, NY 13820, United States
Epulopiscium sp. Type B is a large aquatic bacterium that resides in the gut of
surgeonfish. From genomic data, Epulopiscium (Epulo) is predicted to have a
chemotactic sensory and motility system similar to Escherichia coli and Bacillus subtilis.
Our experiments are designed to test the protein-protein interactions between methylaccepting chemotaxis proteins (MCPs) and the Che proteins, CheA (a sensory kinase)
and CheW (an adaptor protein), through the use of a yeast-2-hybrid (Y2H) assay. We

hypothesize based on genetic homology that Epulo chemotaxis proteins will behave in a
similar fashion to their orthologs in B.subtilis and E.coli. The Y2H tests protein-protein
interactions in Saccharomyces cerevisiae. Preliminary results detected an interaction
between CheA and CheW. Other interactions have not yet been detected; possibly
because CheW seems to be toxic to yeast. Alternatively, a CheA+CheW+MCP ternary
complex might be necessary for MCP binding. Further research to explore these
possibilities is ongoing.
CHED 420
Peptides designed for biomimetic studies of NF-B inhibition
Lindsey M Burch, alstewart@georgiasouthern.edu, Amanda L Stewart.Department of
Chemistry, Georgia Southern University, Statesboro, Georgia 30460, United States
The protein nuclear factor-kappa B (NF-B) is a transcription factor which is critical in
cellular response to inflammation, apoptosis, and immune response. Inhibitor of kappa
B (IB) molecules inactivate NF-B, keeping the protein within the cytoplasm.
Phosphorylation of IB degrades the inhibitor, allowing for NF-B passage into the
nucleus where it regulates the expression of numerous genes related to immune and
inflammatory response. While NF-B is crucial for immune response, its untimely
activation and the overexpression of certain inflammatory proteins can result in various
diseases such as cancer and many neurological disorders. Peptides mimicking IB will
be designed to study specific interactions that are key to binding of NF-B by IB. The
peptides with highest binding affinities for the protein will be screened as broad based
inhibitors for the NF-B signaling pathway. Fluorescence binding studies and CD
structure studies will be completed to characterize all designed peptides.
CHED 421
Synthesis of heterobifunctional ankyrin repeat proteins by metabolic labeling
with azidohomoalanine
Rachel Barnes, Jessica.Hollenbeck@Trinity.edu, Jessica Hollenbeck.Department of
Chemistry, Trinity University, San Antonio, TX 78212, United States
Ankyrin repeat (AR) proteins have a repetitive structure that is ideally suited for the
display of multiple functional groups and/or recognition elements in a well-defined threedimensional array. We have previously demonstrated the use of cysteine-containing AR
proteins to append mannose residues to unique sites on the AR scaffold, and we
hypothesized that we could extend this strategy to synthesize heterobifunctional AR
proteins by incorporating clickable methionine surrogates at alternate sites in the
protein backbone. In media lacking methionine, E. coli methionyl-tRNA synthetase will
accept the non-natural amino acid azidohomoalanine (Aha), thereby incorporating a
unique chemical handle at these positions. We have expressed and purified Aha-

containing AR proteins from E. coli and have glycosylated the bifunctional scaffold using
a combination of mannose and N-acetyl glucosamine derivatives.
CHED 422
In vitro self-assembly of type I collagen onto different substrates
Eryn K. Matich2, ekm3@alfred.edu, Ming Fang1, Elizabeth L. Goldstein1, Brad G. Orr1,
Mark M. Banaszak Holl1. (1) Department of Chemistry, University of Michigan, Ann
Arbor, Michigan 48103, United States (2) Division of Chemistry, Alfred University,
Alfred, New York 14802, United States
Using atomic force microscopy, the self-assembly process of Type I collagen is followed
at collagen concentrations from 0.5 to 100 g/mL on muscovite mica, phlogopite mica,
glass capillary tube, molybdenum disulfide (MoS2) and graphite. No fibril formation was
found on MoS2 and graphite. The specific fibril patterns on mica surfaces are related to
the mica crystal structure. The self-assembled collagen fibrils have a distribution of Dspacings, with an average value of 65-66 nm and a range between 55-70 nm. At 10
mg/mL, dense collagen fibrils form a gel in capillary tubes. When the gel from these
glass capillary tubes is deposited on MoS2, they exhibit a D-spacing distribution similar
to mica. The self-assembled collagen fibrils on various substrates showed similar Dspacing to those observed in biological tissues. This suggests Type I collagen assembly
without heterotypic collagens or fibrillar cross-links is the origin of the D-spacing
distribution.
CHED 423
Solvent isotope effects on DNA-protein crosslinking
Zitadel Anne Perez, zerepenna@gmail.com, Christia A Sison, Eric D. A.
Stemp.Department of Physical Sciences, Mount St. Mary's College, Los Angeles, CA
90049, United States
Oxidative DNA damage contributes to cancer and degenerative diseases. Guanine is
particularly vulnerable to oxidation, creating guanine radicals which form crosslinks to
proteins. Here, we investigate the solvent isotope effect on oxidative DNA-protein
crosslinking reactions for the oligonucleotide 5'AATAXTTTTGTTTGCGTGGATGGTTCTC-3' (X = 2-aminopurine, a strong
photooxidant). For this oligonucleotide duplex, the amount of permanent guanine
damage in the form of DNA-protein crosslinks depends on competition between back
electron transfer from 2-aminopurine radical anion to the guanine radical cation and the
trapping reaction, which may involve the formation of the neutral guanine radical.
Crosslinking experiments using this oligonucleotide with histone H2A yielded more
damage in H2O than in D2O. In contrast, in a flash-quench system where back electron
transfer has been eliminated, D2O yielded more damage, consistent with greater yields

of guanine radical in D2O. Taken together, these results suggest that trapping involves
the deprotonation of the guanine cation radical.
CHED 424
High speed HPLC/fluorescence (HPLC/FL) analysis of serotonin and its
metabolites in tissue and fluids: Applications in applied neurochemical analysis
Bridgett K. Carter, Carterb@sacredheart.edu, Rebecca M. Baroody, Tyler G. Kethro,
Edward J. Caliguri.Department of Chemistry, Sacred Heart University, Fairfield, CT
06825, United States
High performance liquid chromatography with fluorescence detection has been used for
some time to measure Serotonin (5-hydroxy tryptophan, 5HT) and its metabolites. Here
we preset separations using both 2.0 micron and 1.6 micron C-18 particulate columns.
These columns should provide increased speed and sensitivity making their use more
efficient. The features of these methods are showcased in initial studies involving
Serotonin activity changes in the brain and body fluids of animals that have been
administered statin medications as well as those that have 5HT-1A receptor
deficiencies.
CHED 425
Investigations of the active site of 5, 10-methenyltetrahydrofolate synthetase
(MTHFS) from Mycoplasma pneumoniae
Casey R. Wojtera, crwojtera@mail.roanoke.edu, Timothy W. Johann.Department of
Chemistry, Roanoke College, Salem, Virginia 24153, United States
The enzyme, 5, 10-methenyltetrahydrofolate synthetase (MTHFS) plays a significant
role in the folate metabolism of an organism. MTHFS is the only enzyme known to
convert folinic acid into 5, 10-methenyltetrahydrofolate. Amino acids hypothesized to
interact with folinic acid were investigated. Gene sequences of MTHFS were mutated
using site directed mutagenesis. Through several transformations, induction, and
various purifications, mutant enzymes were obtained and were tested kinetically. Based
on inferences made from the calculated KM and kcat values, the amino acids Y122,
Y123, E55, and F118 were concluded to be important for binding folinic acid in the
active site and for maintaining catalytic efficiency of the enzyme. In addition, the
mutation of glutamine to alanine at position 144 yielded an enzyme that bound the
substrates of ATP and folinic acid weaker than the wild-type enzyme, but demonstrated
a 2.74 fold increase in kcat.
CHED 426
Isoprene synthase: A key to cellular relief from toxic isoprenoid precursors in E.
coli?

Jordan A Killop, jakillop@svsu.edu, Tami Sivy.Department of Chemistry, Saginaw


Valley State University, University Center, MI 48710, United States
Practicing recombinant DNA technology has shown great potential to decrease both the
cost and the environmental impact of developing important prenyl-based drugs such as
the anti-malarial artemisinin and tumor-suppressor Taxol. For reasons not fully
understood, progress has been limited by the decreased cell growth of bacterial hosts
used to produce these drugs. The cause of death is suspected to be toxicity of
isoprenoid precursors. We studied the effects of decreasing the levels of the putative
toxic compounds, DMAPP and IPP, by expressing an isoprene synthase from poplar in
E. coli. As this enzyme uses DMAPP as a substrate to produce the volatile and
releasable isoprene, we hypothesize that its activity could be used to relieve the
cytotoxicity. The isoprene synthase expression was varied and paired with increased
flux through a heterologous isoprenoid pathway in order to test the hypothesis and
examine the influence of intermediate levels on cytotoxicity.
CHED 427
Cisplatin-induced apoptosis in HeLa cells to determine potential mechanisms for
drug resistance
Mackenzie M. Shipley, shipleym@hartwick.edu, Andrew J. Piefer.Department of
Chemistry, Hartwick College, Oneonta, New York 13820, United States
The purpose of this project is to study the cisplatin-induced apoptosis mechanism in
HeLa cells. Apoptosis or programmed cell death occurs when molecular lesions are
formed in genomic DNA. By using small-interfering RNA (siRNA), the oncogene c-Abl
will be knocked down. c-Abl encodes a cytoplasmic and nuclear protein tyrosine kinase
involved early in the apoptotic pathway. A colorimetric assay kit will be used to measure
the amount of caspase-3 present in cells (indicative of apoptosis) before and after
knockdown of c-Abl. The results of this research will determine if c-Abl is involved in
cisplatin mediated apoptosis in a cervical cancer cell line and may reveal potential drug
resistance mechanisms.
CHED 428
Quantitative analysis of metal ion, chlorophyll, and antioxidant activity in
senescing Ginkgo biloba leaves
Ashley M. Mannix, ashley.mannix@email.usna.edu, Virginia S. Smith.Department of
Biochemistry, United States Naval Academy, Annapolis, MD 21412, United States
A vital source of antioxidants, the leaves of the Ginkgo biloba tree represent a promising
field of medicinal research. A full year of Ginkgo biloba leaf extracts were analyzed to
determine peak antioxidant activity via sample time delays in the Briggs-Rauscher
oscillating reaction. The assays revealed that senescent (yellow) Ginkgo leaves have a

higher average antioxidant activity than the green leaves, suggesting antioxidant
compounds may protect against metal-ion induced oxidation after chlorophyll is gone.
Metal ion concentrations were determined by performing microwave digestion in
hydrogen peroxide and nitric acid followed by atomic absorption spectroscopy. Analysis
of calcium, iron, and magnesium ions indicate that peak levels correlate to the
senescent phase of Ginkgo leaves. Chlorophyll levels determined by UV-visible and
fluorescence spectroscopy were also correlated to the levels of metal ions. The
combined analysis of antioxidants, metal ions, and chlorophyll levels provide a detailed
chemical profile of Gingko leaf senescence.
CHED 429
Synthesis and evaluation of alkyne derivatives of parthenolide for identification of
cellular protein targets
Myungsun Shin, connorr@dickinson.edu, Thanprakorn Chiramanewong,
connorr@dickinson.edu, Rebecca E. Connor.Department of Chemistry, Dickinson
College, Carlisle, PA 17013, United States
The sesquiterpene lactone, parthenolide, is a natural product found in the medicinal
plant feverfew. Parthenolide is known for its anti-inflammatory effects and potential of its
amino derivatives as chemotherapeutic agents for the treatment of leukemia and other
cancers. Parthenolide contains an electrophilic -butyrolactone functional group that will
covalently modify biological nucleophiles, such as amino acids in proteins. We have
synthesized alkyne derivatives of parthenolide in order to identify proteins modified by
or binding to parthenolide using copper-catalyzed azide-alkyne Huisgen cycloaddition
(CUAAC). The alkyne-parthenolide derivatives have been tested as reagents in CUAAC
reactions with azidopropylbiotin using TBTA as the ligand. Covalent modification of
model proteins by the alkyne derivatives has been used to validate the use of CUAAC.
Protein targets in human acute myelogenous leukemia (THP-1) cells will be identified
following cellular treatment with the derivatives, using CUAAC to append an azide-biotin
tag for affinity capture.
CHED 430
Oxidative crosslinking between tRNA and protein
Bridgett Cabrera, bridcabr@mymsmc.la.edu, Pia Cartagena,
piacarta@mymsmc.la.edu, Alyson Thien, alysthei@mymsmc.la.edu, Zitadel A Perez,
Kelsey Miller, Eric Stemp.Department of Physical Sciences, Mount St. Mary's College,
Los Angeles, CA 90049, United States
Oxidation of guanine can lead to DNA-protein crosslinking. Transfer RNA molecules
encounter many proteins during translation and we investigated whether guanine
oxidation can also produce RNA-protein cross-linking. tRNAPhe in the presence of
histone or poly(lysine) was subjected to the flash-quench technique, a method known to

selectively oxidize guanine. Irradiation of ethidium or Ru(phen)2dppz2+ [phen =


phenanthroline, dppz = dipyridophenazine] in the presence of Co(NH3)5Cl2+ (an
oxidative quencher) led to a loss in the intensity of the free band for the tRNA and a
corresponding appearance of bands with lesser mobility in gel shift experiments. In
addition, in the chloroform extraction assay, a drop in the 260 nm absorbance of the
RNA was observed upon flash quench treatment. These results are consistent with
RNA-protein cross-linking as a result of guanine oxidation and suggest that this may be
another consequence of oxidative stress.
CHED 431
Effects of alkynyl-parthenolide derivatives on cellular viability, glutathione levels,
and cellular signaling of human leukemia cells, THP-1
Gabriel J. DiNatale, connorr@dickinson.edu, Rebecca E. Connor.Department of
Chemistry, Dickinson College, Carlisle, PA 17013, United States
Parthenolide, a natural extract from the feverfew plant, and its water-soluble amino
derivatives have been proven to be effective in killing leukemia stem cells. Parthenolide
and its derivatives are capable of the covalent modification of proteins through an
electrophilic ,-unsaturated exocyclic methylene group. We have synthesized
derivatives of parthenolide modified with alkyne functional groups for the identification of
cellular protein targets of these electrophilic molecules. This work describes the
characterization of parthenolide and our synthesized derivatives for their effects on the
viability of THP-1 cells both in suspension and after differentiation into macrophages.
The effect on cellular glutathione levels over time and with increasing concentration of
parthenolide and our derivatives was compared to the effect produced by phorbol-12myristate 13-acetate, a known inducer of THP-1 monocyte differentiation. Changes in
cellular signaling after treatment were assayed by immunoblot for the NFB and heat
shock response pathways.
CHED 432
Characterization of Aspergillus niger cellulase for biomass conversion
Jennifer A. Hill, jahill4@ualr.edu, Lovepreet Singh, Robert C. Steinmeier.Department
of Chemistry, University of Arkansas at Little Rock, Little Rock, Arkansas 72204, United
States
Enzymes capable of hydrolyzing cellulose are found in filamentous fungi and bacteria.
The study undertaken was of the extracellular cellulase cocktail from Aspergillus niger
which included cellobiohydrolase, endoglucanase, and -glucosidase activities that
work synergistically to break down cellulose. The effects of organic solvents on different
enzyme activities were analyzed as well. Inhibition of different enzyme activities by
ethanol and dimethylsulfoxide was studied using selected substrates. Compared with T.
reesei, A. niger cellulase had much higher -glucosidase activity for cellobiose or p-

nitrophenyl--glucoside (PNPG) and also had higher activity with Avicel.


Gluconolactone completely inhibited reaction with PNPG but not cellobiose. Reaction of
A. niger cellulase with p-nitrophenyl--D-cellobioside was kinetically complex and pnitrophenyl--D-lactoside was unreactive. With CMC as the substrate, inhibition of A.
niger cellulase by ethanol or DMSO is more pronounced than with T. reesei. The same
is true for ethanol inhibition of -glucosidase activity with PNPG as the substrate.
CHED 433
Effects of an enaminone library with amino acid functionalities on protease
activities
Kevin Thomas, kevin-thomas@utulsa.edu, Phillip Goree, Stephen Kennedy, Robert J
Sheaff.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa, OK
74104, United States
Proteases are enzymes which hydrolytically cleave peptide bonds at specific amino acid
residues in proteins. They play many important biological roles associated with human
disease, such as in cancer metastasis, viral infection, and certain neurological
disorders. Thus, protease inhibitors make up a whole class of pharmaceutical
compounds. A library of enaminones with amino acid functional groups was analyzed
for its effects on protease activity. The 31 synthesized compounds underwent screening
against four different purified proteases (bromelain, trypsin, chymotrypsin, and protease
A) to determine their effects on proteolytic activity using BSA as a substrate. A few
compounds demonstrated both activation and inhibition of protease activity, especially
when utilizing bromelain. This capacity for modulating protease activity suggests that
some of the enaminones might have biological activity and serve as promising
intermediates for the synthesis of novel compounds with therapeutic potential.
CHED 434
Decay of guanine radical produced by the flash quench technique: Dependence
upon quencher
Evelyn Carrillo, evelcarr@mymsmc.la.edu, Veronica L Torres,
verotorr@mymsmc.la.edu, Jenny Garcia, jenngarc143@mymsmc.la.edu, Eric Stemp,
Robert Senter.Chemistry, Mount Saint Mary's College, Los Angeles, CA 90049, United
States
Oxidative damage to DNA is a causative factor in disease and guanine can be readily
oxidized by the flash quench technique. Here, we compared the guanine radical decay
in DNA, with the quenchers Ru(NH3)63+ and Co(NH3)5Cl2+. Using nanosecond transient
absorption spectroscopy at 373 nm, the guanine radical decays within 100 s with
Ru(NH3)63+ as quencher, but persists for milliseconds with Co(NH3)5Cl2+. On a longer
timescale, excitation with a camera flash produces a detectable transient species with
an absorbance maximum of ~390 nm. In related studies using guanosine-5'-

monophosphate, flash quench with the cobalt quencher produces a broad absorption
between 300 nm and 380 nm that decays on the seconds time scale; in contrast,
Ru(NH3)63+ gives no signal. These results can be explained by the lability of the Co(II)
complex formed upon reduction and formation of a guanine radical that decays into
another related radical species on a longer timescale.
CHED 435
Optimizing the expression of recombinant nitrobenzene dioxygenase ferredoxin
from Comamonas JS765 in E. coli
Mark D Bostrom, mdb77465@bethel.edu, Matthew Neibergall, Brock Cash, Paige
Murray.Department of Biochemistry, Bethel University, St. Paul, Minnesota 55112,
United States
The nitrobenzene dioxygenase enzyme system (NBDOS) initiates the degradation of
nitroaromatic compounds in the bacterium Comamonas JS765. The primary goal of this
research project is to optimize the conditions for over-expressing the NBDOS ferredoxin
component in E. coli. This report describes how the following variables impact protein
expression: Media formulation, temperature, induction time, and inducer concentration.
The results will advance research on the nitrobenzene dioxygenase system.
CHED 436
Electrochemical phenomena in the Venus flytrap
Chrystelle L. Vilfranc, dr.chrystelle.vilfranc@gmail.com, Alexander G.
Volkov.Department of Chemistry, Oakwood University, Huntsville, Alabama 35896,
United States
The total hunting cycle of the Venus flytrap consists of the following 5 stages: open
state, closed state, locked state, constriction and digestion state, and the semi-open
state. The opening of the trap after digestion consists of two steps: the opening of the
lobes and the changing of their curvature from a concave shape to a convex shape.
Each stage of the hunting cycle has different electrical characteristics. The biologically
closed electrochemical circuits in the Venus flytrap are analyzed using the chargestimulating method. If the initial voltage applied to the Venus flytrap is 0.5V or greater,
changing the polarity of the electrodes between the midrib and one of the lobes will
result in a rectification effect and different kinetics of a capacitor discharge. These
effects are due to the fast transport of ions through voltage gated ion channels. The
electrical properties of the Venus flytrap were investigated. The equivalent
electrochemical circuits, within the upper leaf, were proposed to explain the
experimental data.
CHED 437

System for comparing relative rates of back electron transfer and crosslinking
Christina Khorozyan, chrikhor@mymsmc.la.edu, Melissa Marquez,
melimarq135@mymsmc.la.edu, Shushan Khorozyan, chrikhor@mymsmc.la.edu,
Zitadel Anne Perez, Kelsey Miller, Eric Stemp.Department of Physical Sciences, Mount
St. Mary's College, Los Angeles, CA 90049, United States
Electron holes produced upon DNA oxidation are mobile and can move throughout the
base stack. One possible trapping reaction for guanine radicals is the formation of DNAprotein crosslinks. The fluorescent analogue, 2-aminopurine can photo-oxidize guanine
and undergo back electron transfer. Titration of 2-AP with guanosine-5'-monophosphate
results in quenching, consistent with redox. We placed 2-aminopurine into a DNA strand
at two different distances from the nearest guanine base to determine the relative rates
of back electron transfer and crosslinking to protein. Crosslinking was detected by gel
shift assay. A 29-mer DNA duplex containing a 5'-G(T)nX-3' sequence was used (n=0,4
and X=2-aminopurine). Upon irradiation, no change was seen in the mobility of n=0.
However, n=4 showed a decrease in free DNA bands and the appearance in lower
mobility bands; in the n=4 duplex, back electron transfer, does not compete as well with
the protein trapping reaction.
CHED 438
Quantitative analysis of the binding of mammalian linker histone isotopes to
chromatin in vivo
Jacob Files1, jacob.k.files@stumail.shc.edu, David T Brown2. (1) Biochemistry
Department, Spring Hill College, Mobile, Alabama 36608, United States (2)
Biochemistry Department, University of Mississippi Medical Center, Jackson,
Mississippi 39201, United States
The linker or H1 histone is a protein that binds and compacts DNA. Recent
investigations have shown that these histones are mobile proteins, constantly moving
from one strand of DNA to another. This movement of the H1 histone is thought to
regulate chromatin compaction. In this experiment, the mobility of different linker histone
subtypes (H1a, H1b, H1c, and H1d) was measured and compared to the control (H10).
To achieve this purpose, DNA plasmids were created that were contained two different
H1 protein genes, each attached to a different fluorescent protein. These plasmids were
introduced into mouse fibroblast cells and the cells produced the different histone
subtypes that were coded for on the plasmid. The mobility of each histone subtype was
determined using a method called FRAP (Fluorescent Recovery After Photobleaching).
The results showed that this experimental system is superior to other methods and that
there are significant differences among these subtypes with respect to their affinity to
chromatin. In addition, chromatin de-compaction, which is dependent upon H1 mobility,
is necessary for efficient DNA repair. Some radiation-resistant tumors have elevated
levels of proteins that promote H1 mobility, therefore producing hyperactive DNA repair
systems. The information and techniques developed in this experiment will be useful for

understanding this phenomenon in greater detail and might provide clues for effective
treatments of these radiation-resistant tumors.
CHED 439
Employing linear free energy relationships (LFERs) to deduce solvolytic reaction
mechanisms
Jasbir K Deol1, Jasbir.Deol@email.wesley.edu, Maryeah T Pavey1,
Maryeah.Pavey@email.wesley.edu, Malcolm J. D'Souza1, Dennis N. Kevill2. (1)
Department of Chemistry, Wesley College, Dover, DE 19901, United States (2)
Department of Chemistry & Biochemistry, Northern Illinois University, DeKalb, IL 60115,
United States
Substituted benzyl carbamate herbicides are synthesized using the appropriate benzyl
chloroformate and a substituted benzyl amine in an inert solvent. The compound, 4,5dimethoxy-2-nitrobenzyl chloroformate (1 ) is a fine powder. A literature survey also
showed that 1 is being used as a caged precursor to the capsaicin receptor TRPV1 and
the ioniotropic purinergic receptor P2X2, in which the photorelease of its active
compounds allow the agonists to be administered to neuron cells. In this undergraduate
research project, we analyzed the solvolytic rates of reaction of 1 in a variety of organic
solvents with widely varying nucleophilicity and ionizing power values. The reaction
rates at 25.0oC were determined using acid-base titrations over a select period of time.
The addition of water to any pure organic solvent except 1,1,1,3,3,3-hexafluoro-2propanol (HFIP) caused an increase in the reaction rate, hinting that water induces the
leaving group to break quicker. However in HFIP the exact opposite occurs; where the
addition of water decreases the rate of reaction. This suggests that 1 may follow a dual
pathway which is strongly dependent on both solvent nucleophilicity and solvent polarity
(H-bonding effects). This project is supported, in part, by the Delaware INBRE and
EPSCoR programs supported by grants from the National Center for Research
ResourcesNCRR (5P20RR01647212) and the National Institute of General Medical
Sciences NIGMS (8 P20 GM10344612) from the National Institutes of Health (NIH); a
National Science Foundation (NSF) Delaware EPSCoR grant EPS0814251; and a NSF
ARIR2 grant 0960503.
CHED 440
Solid phase immobilization of a superoxide dismutase mimic
Edmund I Sharp, eisharp@smcm.edu, Craig N Streu.Department of Chemistry and
Biochemistry, St. Mary's College of Maryland, St. Mary's City, Maryland 20686, United
States
Superoxide (O2-), one of the reactive oxygen species (ROS), is a toxic molecule
produced in the mitochondria during aerobic respiration and in the immune system to kill
invasive microorganisms. Given its toxicity, it must be removed to limit unwanted

cellular damage. Superoxide dismutases catalyze the dismutation of superoxide into


molecular oxygen and hydrogen peroxide. The presence of superoxide can be
quantified by measuring the hydrogen peroxide produced upon reaction with superoxide
dismutase. In the interest of developing an inexpensive flow cell for determining
superoxide levels in biological tissues, an artificial biomimetic MnIII-salen superoxide
dismutase was synthesized as previously described and immobilized onto magnetic
beads containing amine groups. The synthesis, loading, and activity of the particles are
described.
CHED 441
Structural and functional bioinformatics analysis of proteins from Candidatus
Liberibacter asiaticus
Luis I Rosa2, luisrosa1@pucpr.edu, Nancy Arroyo3, Monica M Arroyo1. (1) Department
of Chemistry, Pontifical Catholic University of Puerto Rico, Ponce, PR 00717, Puerto
Rico (2) Department of General Science, Pontifical Catholic University of Puerto Rico,
Ponce, PR 00717, Puerto Rico (3) Department of Biotechnology, Pontifical Catholic
University of Puerto Rico, Ponce, PR 00717, Puerto Rico
Huanglongbing (HLB) greening disease damages citrus crops costing millions of dollars
in Asia, Latin America, the United States, and Puerto Rico, among many countries. HLB
infection affects socio-economic development since there are several countries in
quarantine unable to export citrus, including Puerto Rico. The disease is caused by the
proteobacterium Candidatus Liberibacter asiaticus, transmitted by the Asian citrus
psyllid (Diaphorina citri Kuwayama). Infection may be due to a blockade of the phloem
of the plant, leading to significant accumulation of starch until it dies following
obstruction of nutrients. The HLB mechanisms of interaction with citrus plants are not
well understood and there are no therapies available. Initial analysis of 10 hypothetical
proteins revealed that they may be involved in transport, chemotaxis, adhesion, ligand
binding interactions, and metabolism. We hope our results will contribute to the
advancement of research to understand the proteobacterium's pathogenicity and
infectivity, and subsequent development of therapies.
CHED 442
Genetic analysis of rev variation in equine infectious anemia virus
Brandon Gines1,2, brgines@email.shc.edu, Hyelee Loyd1, Susan Carpenter1. (1)
Department of Animal Science, Iowa State University, Ames, IA 50011, United
States (2) Department of Chemistry, Spring Hill College, Mobile, AL 36608, United
States
Closely related to HIV is the Equine Infectious Anemia Virus (EIAV), a virulent pathogen
of horses. Genetic variation in the regulatory protein Rev of EIAV was examined
throughout a clinically dynamic disease course of an experimentally infected pony.

Following infection with the virulent EIAVwyo, the pony underwent a variable disease
course, including an acute fever episode at 11 days post-infection (DPI), recurrent fever
episodes until 363 DPI, a prolonged subclinical period, and several late fever episodes.
Viral RNA was isolated from sequential sera samples, and the rev exon 2 was amplified,
cloned, and sequenced. Sequence and phylogenetic analyses indicated that Rev was
under selective pressure throughout infection and suggested a linear progression of rev
evolution characterized by transience and divergence. These results suggest that
genetic and perhaps biological variation in rev may be a contributing factor in EIAV
disease progression.
CHED 443
Delivery of paclitaxel with elastin-like polypeptides
Cassie Caudill1,2, clcaudill13@transy.edu, Jayanta Bhattacharyya3, Ashutosh
Chilkoti3. (1) Department of Chemistry, Transylvania University, Lexington, KY 40508,
United States (2) Department of Chemistry, Duke University, Durham, NC 27708,
United States (3) Department of Biomedical Engineering, Duke University, Durham, NC
27708, United States
Paclitaxel, an anti-tumor drug that acts through mitotic inhibition, has poor solubility in
water and produces undesired side effects. A new method of delivering paclitaxel with a
biologically inspired polymer, elastin-like polypeptides (ELP), has been developed.
Paclitaxel was chemically conjugated to the elastin-like polypeptide delivery system via
a pH sensitive hydrazone bond that allows for release of the drug in the acidic
environment of tumors. Drug binding, micelle formation, and solubility of the paclitaxelelastin-like polypeptide conjugate were assessed. Cytotoxicity of the paclitaxel-elastinlike polypeptide conjugate was evaluated with a cell proliferation assay using human
and mouse breast cancer cell lines. The retained cytotoxicity of the drug when bound to
the delivery system and the increased solubility at body temperature suggest that
delivery of paclitaxel with an elastin-like polypeptide transport system will increase
effectiveness of this cancer-fighting drug.
CHED 444
Paraaminobenzamidine linked iron oxide nanoparticles for bioseparations
Jose Javier Rosado, jose.rosado8@upr.edu, Osvaldo Vega, Abimael Rodriguez,
Veronica Forbes, Vibha Bansal.Department of Chemistry, University of Puerto Rico at
Cayey, Cayey, PR 00736, United States
Cardiovascular disorders are the leading cause of disease related death in the USA;
these disorders can be treated using Plasminogen activators (PAs). The problem with
this treatment is that it is highly expensive due to inefficient downstream processing of
PAs. Magnetic nanoparticles (MNPs), as separation matrices, offer several advantages
over other common separation matrices. The main objective of this project was to

develop magnetic affinity nanoadsorbents for isolation of PAs. Iron oxide MNPs were
synthesized, functionalized with aminopropylsilane, and then linked to Paraaminobenzamidine, which is known to be an affinity ligand for PA. The particles were
tested for their ability to bind PA from a monocomponent system (pure PA solution) as
well as multicomponent system (mammalian cell culture broth). The particles bound PA
successfully in both the systems. Results showed a 200-fold pure PA preparation after
the separation. The purity of the preparation was visualized through electrophoresis.
CHED 445
Quantitative determination of DNA affinity for PEGylated PAMAM dendrimer gene
delivery vehicles
Kyle Odell Chamberlain, cham8144@stthomas.edu, Lisa E Prevette.Department of
Chemistry, University of Saint Thomas, Saint Paul, Minnesota 55105, United States
Polycations have become popular non-viral gene delivery agents due to their easy
synthesis and ability to carry large amounts of DNA. To prevent toxic side effects and
aggregation, polyethylene glycol (PEG) is conjugated to the polymers to mask their
charge. Unfortunately, high PEG conjugation ratios can inhibit DNA binding. To optimize
a polymeric gene delivery agent's effectiveness, an ideal PEG length and ratio of PEG
to positive charge must be found. This study has used electrophoretic mobility shift,
isothermal titration calorimetry, and ethidium bromide exclusion assays to determine an
optimal PEG length and conjugation ratio for generation 5 polyamidoamine (G5
PAMAM) dendrimer. PEG chain lengths of 750, 2000, and 5000 M.W. were conjugated
to PAMAM at 1:3, 1:12, and 1:30 ratios. Results indicate greater PEG chain lengths
inhibit PAMAM-DNA binding affinity at all PEGylation ratios. Furthermore, at all PEG
chain lengths, binding affinity is greater at lower conjugation ratios.
CHED 446
Investigation of the potential for biofuels and other uses for duckweed in
Oklahoma
Abe G. Blackburn, nlpaiva@alum.mit.edu, Cord M. Carter, nlpaiva@alum.mit.edu,
Ricky E. Lemons, Nicholas J. Wade, Dianne Baze, Nancy L. Paiva,
nlpaiva@alum.mit.edu.Department of Chemistry, Computer & Physical Sciences,
Southeastern Oklahoma State University, Durant, OK 74701, United States
The overall goals were to investigate the potential of duckweed as a biomass source for
conversion to biofuels, as well as its utility for water purification and animal feed source.
Duckweed is a tiny floating aquatic plant native to Oklahoma, which grows rapidly to
cover ponds, doubling its biomass every 2-7 days while removing excess nutrients from
water and CO2 from air. Small (60-200 L) artificial pond cultures of duckweed were used
to produce biomass under different growth conditions for analysis and comparison with
natural farm pond samples. Oxygen bomb calorimetry revealed that the energy content

of dried duckweed samples compared favorably to switchgrass, a major biomass crop in


OK, and increases in %C correlated well with increased energy content. Growth
conditions are being tested to try to induce additional starch accumulation, further
increasing the %C and energy content.
CHED 447
Biomass growth and lipid extraction of Nannochloropsis oculata under natural
and artificial light in the Pacific Northwest
E. Lee Brewer, elmer.brewer@stmartin.edu, Brandon Vance, Aaron Coby.Department
of Biology, Saint Martin's University, Lacey, WA 98503, United States
Fossil fuels play a significant role in the energy demands of the world and have
significant environmental and ecological effects. As populations increase, more people
as well as nations become dependent on these limited resources, and it becomes
increasingly important to find renewable energy sources that are cost efficient, easily
implemented and environmentally friendly. This experiment investigted the efficiency of
growing lipid-producing algae in the Pacific Northwest under natural and artificial light.
We hypothesize that the artificial light sources will promote a larger algae biomass, and
that because of the intensity and wavelengths, the LED lighting system will produce the
most extractable lipids from the algae strain Nannochloropsis oculata, and that utilizing
energy efficient lighting sources such as LED's can make algae biofuel production a
cost feasible operation which can reduce or eliminate many of the energy requirements
in distribution and some of the energy requirements for growth and production.
CHED 448
Tat peptide-mediated gene delivery: Complex formation and interaction with cellsurface glycosaminoglycans
Danielle Francen, fran4127@stthomas.edu, Lisa Prevette.Department of Chemistry,
University of St. Thomas, St. Paul, Minnesota 55105, United States
Gene therapy consists of the delivery of foreign DNA to cells. Cell penetrating
compounds, such as Tat peptide, have been shown to facilitate DNA delivery through
the formation of a Tat/DNA complex. Different complex +/- ratios were tested using an
electrophoretic mobility shift assay with the goal of finding the stoichiometric ratio at
which Tat fully binds plasmid DNA. These results were confirmed and interaction
thermodynamics were determined by isothermal titration calorimetry (ITC). Complex
hydrodynamic diameter was determined in solvents of increasing ionic strength using
dynamic light scattering. Positively charged Tat was found to interact electrostatically
with negatively charged cell surface glycosaminoglycans (GAGs). A competitive
displacement assay was conducted to find the concentration of GAG needed to
completely displace DNA from the Tat/DNA complex. Results support Tat-GAG affinities

measured by ITC and lend insight into potential cell uptake mechanisms of these
complexes.
CHED 449
Charge density and stereochemistry affect the interaction of PAMAM dendrimer
with glycosaminoglycans
Kristin J. Braden, brad2846@stthomas.edu, Lisa E. Prevette.Department of
Chemistry, University of St. Thomas, 1949 Lincoln Ave., St. Paul, MN 55105, United
States
Cell-penetrating compounds, such as polyamidoamine (PAMAM) dendrimer, are often
attached to drugs to induce cellular uptake. We hypothesize that electrostatic interaction
occurs between the positively charged primary amines of PAMAM and negatively
charged glycosaminoglycans (GAGs) found on all cell surfaces to different extents. The
interactions between generation 5 PAMAM dendrimer and four GAGs have been
studied using isothermal titration calorimetry (ITC), dynamic light scattering (DLS), and
gel electrophoresis. ITC experiments revealed the binding thermodynamics. DLS was
used to confirm complex aggregation. Competitive displacement of DNA cargo from
PAMAM by the individual GAGs was studied using gel electrophoresis. It has been
determined that PAMAM-GAG affinity is dependent upon GAG charge density and
stereochemistry. GAGs can disrupt PAMAM-DNA complexes, which has implications at
the cell surface during nucleic acid delivery.
CHED 450
Understanding students' use of physical models in organic chemistry
Danielle L. Koch, dlk3651@uncw.edu, Madelyn G. Shore, Nathaniel P.
Grove.Department of Chemistry and Biochemistry, University of North Carolina
Wilmington, Wilmington, NC 28403, United States
Molecular model kits are a ubiquitous presence in many organic chemistry classroom.
Paradoxically, many students purchase these kits yet never use them or fail to use them
to their full potential. This study attempts to better understand how students use
molecular model kits in organic chemistry to enhance their understand of course content
and the barriers they face in so doing.
CHED 451
Identification and quantitation of cocaine on U.S. banknotes collected from the
metro Detroit area by gas chromatography-mass spectrometry (GC-MS)
Yiwei Deng, Steven Akins, srakins@umd.umich.edu, Mariam Ayyash,
ayyash@umd.umich.edu, Marwa Ayyash, Darcy Kemter-Munson, Harkamal Jhajj,

Khadija Jawad, Lyndsey Sass.Department of Natural Sciences, University of MichiganDearborn, Dearborn, MI 48128, United States
Cocaine (benzoylmethylecgonin) is one of the most commonly abused illicit drugs in the
world. Many cocaine users use a wrapped banknote to sniff this drug. Banknotes
become contaminated during the abuse, exchange and storage of cocaine as well as
other illicit drugs. The presence of trace levels of illicit drugs is frequently used as a part
of the forensic evidence establishing a link between a suspect and these drugs. In this
study, a gas chromatography mass spectrometry (GC-MS) method for cocaine
analysis was adopted for the Instrumental Analysis course at the UM-D. The method
was employed for identification and quantitation of cocaine on banknotes collected from
various locations in the Metro Detroit area. Cocaine was detected in 42% of the
banknotes tested and the amount of cocaine on each bill was in the range of 53 to 86
micrograms.
CHED 452
Size controlled synthesis of quantum dots for biological and chemical detection
Lauren Gagnon, gagnonl@emmanuel.edu, Faina Ryvkin.Department of Chemistry,
Emmanuel College, Boston, Massachusetts 02115, United States
Quantum dots have well-recognized applications for the detection of biological and
chemical materials due to their unique optical characteristics and are capable of being
synthesized in undergraduate physical chemistry courses. Hot solution decomposition is
a commonly used method of CdSe quantum dot synthesis at this level. However, the
current experimental procedure is limited by ineffective quantum dot size control. In an
effort to modify synthesis, bottom-up approaches including hot-solution decomposition,
microemulsion, and sol-gel synthesis, were investigated in terms of yield, recovery, and
size control process. Products were analyzed using absorbance and emission
spectroscopy to determine radial sizes. They have been used in combination with
specific aptameric sensors for the detection of a variety of materials. The several new
approaches to quantum dot synthesis and the creation of a quantum dot based sensor
will be discussed.
CHED 453
Science demos: Science lectures beyond the board
Naomi Pierre, npier007@fiu.edu, Patricia Santana, psant005@fiu.edu, Laura Osorio,
Shantell Rolle, Mayra Exposito.Chemistry, Florida International University, Biscayne
Bay Campus, North Miami, Florida 33181, United States
This project aims at creating an interactive learning environment through demos that
aids in the comprehension of scientific abstract definitions and concepts through the
method of visualization; thus-by, the project futuristically facilitates the understanding of

the bond between lab and lectures as one unit. Demos are found to be an excellent way
of demonstrating chemical changes in a captivating but educational manner. Some
demos, such as Fire-Proof Balloon, use common household objects and help
emphasize the need for awareness in our everyday lives. All in all, the areas of focus
include: Physics, Chemistry, Biology, Environmental Science and Biomedical Science.
These demos emphasize an Inquiry-Based learning process through questions
generated from the interests, curiosities and perspectives/experiences of the learner
and it is a cyclic process as well through this concept, the project provides tools to the
under-represented, first generation high school students pursuing a college degree.
CHED 454
Incorporating green chemistry principles into general chemistry and AP-level labs
for qualitative analysis, redox titration, and enthalpy of a reaction
Samantha L. Howard, sam.howard@my.uu.edu, Sally A. Henrie.Department of
Chemistry, Union University, Jackson, TN 38305, United States
Many colleges and high schools across the nation are concerned about potential health
hazards and disposal costs associated with typical laboratory experiments. This project
focuses on developing a laboratory manual that utilizes greener experimental
procedures for advanced placement and general chemistry courses. It also teaches
students about green chemistry and the growing need for its use in chemical processes.
Topics for these experiments were based on the College Board's recommendations for
an AP chemistry course. Additionally, these experiments were designed to be
incorporated into a web-based kit so that experiments may be safely done even in nontraditional settings. This research specifically developed laboratory experiments where
students investigate qualitative analysis, oxidation-reduction titrations, and enthalpy of a
reaction.
CHED 455
Investigating student anxiety within the chemistry laboratory
Zoebedeh Malakpa, Malakpzb@muohio.edu, Jana Jensen, Stacey Lowery
Bretz.Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States
Courses that include a laboratory session can be associated with greater levels of
anxiety. In areas such as chemistry, students are asked to apply their knowledge in a
hands on manner, which may not always be easy for students. Decreasing students'
anxiety levels in the laboratory setting could lead to better experiences in these courses.
The purpose of this study is to create a tool to measure students' anxiety levels. This
survey is to be administered during the laboratory check out. The survey incorporates
instruments developed by researchers in chemistry education and those with
background in psychology. Responses will be collected from several chemistry courses,

ranging from those for chemistry majors in general and organic chemistry, to those for
non-majors, for the pre-med track, to labs designed to meet a liberal education
requirement. Students will report their attitudes regarding the chemistry laboratory.
Preliminary results of this study will be presented.
CHED 456
Preparation of pentamidine analogs for the treatment of human African
trypanosomiasis (HAT)
Aziz Mamur, aziz.mamur@live.com, Robert Aslanian.Department of Chemistry, New
Jersey City University, Jersey City, New Jersey 07305, United States
Human African trypanosomiasis (HAT) is a parasitic disease that is endemic in 36 subSaharan African countries. It is 100% fatal if not treated. The early stage of the disease
is characterized by flu-like symptoms. The latter stage of the disease is characterized by
behavioral changes, confusion, and changes to the normal sleep cycle. This last
symptom obviously led to the common name of the disease, African sleeping sickness.
HAT is currently treated with several old compounds including the bis-amidine,
pentamidine. However, none of these compounds has an ideal profile and most are
characterized by serious side effects and poor pharmacokinetics. As part of our efforts
to develop new compounds aimed at the treatment of parasitic infections, we are
synthesizing heterocyclic and bicyclic analogs of pentamidine with the goal of improving
activity and physicochemical properties. This poster will discuss progress towards the
synthesis of those analogs and plans for future analogs.
CHED 457
Design and presentation of interactive VSEPR theory video
Haley M Snyder, hmsnyder42@students.tntech.edu, Janet G Coonce, Scott H
Northrup.Department of Chemistry, Tennessee Tech University, Cookeville, Tn 38501,
United States
To help students visualize the important concept of the VSEPR theory, a short
educational video was created to help supplement course activities. The hypothesis for
this project is that when students are shown a short, interactive video with an
accompanying handout, they will perform better on related exam questions. The
effectiveness of this video was tested on a total of 9 undergraduate chemistry for
science majors laboratory sections of students (N=620) after a short lecture and before
a hands-on model building activity. The video was shown to students (N=120) in three
sections; three more sections of students (N=120) were shown the same video and
given an accompanying handout. These two groups, along with a control group of
students (N=110), were immediately given a short quiz over the presented material. The
results from this quiz, along with two questions on the common final exam, will be
presented.

CHED 458
Bilingual teaching practice and investigation in the course of Introduction to
green chemistry and chemical engineering
Zhongping Yao, yaozhongping@hit.edu.cn, Ying Song, Dangqing Liu, Qiu Sun,
Zhaohua Jiang.Department of Chemical Engineering, Harbin Institute of Technology,
Harbin, China
Bilingual teachingan important part in the undergraduate education in Chinacan
effectively expand the students' international vision and improve English language skills.
However, there are also some practical problems and obstacles in the development of
bilingual teaching mode, such as issues with using PowerPoint and writing on the
blackboard in English, which is difficult for Chinese students due to the long reaction
time and new vocabulary. English words used by chemistry and chemical industry
professionals are complex and long. In this work we describe practices and experiences
from our bilingual class Introduction to green chemistry and chemical engineering. The
specific measures are proposed, such as previewing before class, teaching English
formation for professional words, and correlating multi-disciplines systematically and
harmoniously. In this way, better teaching effects are obtained. From the evaluation of
teaching, the above specific measures are effective and found to be useful by both
students and teachers.
CHED 459
Fabrication and utilization of an electrochemical alcohol sensor in an
undergraduate teaching laboratory
James Thode, dale.harak@rockhurst.edu, Dale W Harak.Department of Chemistry,
Rockhurst University, Kansas City, Missouri 64110, United States
The design and fabrication of an electrochemical sensor capable of determining ethanol
concentration in aqueous samples is described. The sensor is easily made by the direct
admixing of alcohol dehydrogenase and nicotinamide adenine dinucleotide (NAD+) into
a graphite paste. Toluidine blue O is also added to the carbon paste to act as an
effective electrocatalyst for the electrochemical detection of NADH, which is produced in
the highly selective enzymatic oxidation of ethanol to ethanal. The sensor is then used
to determine the concentration of ethanol in various aqueous samples, such as
mouthwash. It is shown that this laboratory exercise can be completed in a 3 to 4 hour
timeframe typical of most undergraduate quantitative or instrumental analysis laboratory
sessions. The exercise is useful for teaching the fabrication and operation of an
electrochemical sensor, as well as illustrating the mechanism of an electrocatalyst and
its importance in improving sensor selectivity.
CHED 460

Different time scales in NMR and Raman spectroscopy: Aqueous phosphate


solutions from pH 1 to 14
An Nguyen, malloyt@stthom.edu, Dac Vu, malloyt@stthom.edu, Michelle A Steiger,
Thomas B Malloy Jr.Department of Chemistry, University of St. Thomas, Houston, TX
77006, United States
An undergraduate experiment which illustrates the difference in NMR time scales vs
vibrational Raman spectroscopy time scales has been developed and refined over
several years. The experiment comprises measuring the 31P spectra and Raman
spectra of phosphate solutions at constant total phosphate concentration from pH 14 to
pH 1 in ~0.5 pH increments with an Anasazi Eft-60 FTNMR instrument and a Delta Nu
Advantage 633 Raman spectrometer. Details of the experiment, including some of the
considerations dictated by the instrumentation, will be presented. This has been
developed as a physical chemistry experiment and as a special project for freshman
students.
CHED 461
NMR experiments for freshmen
Hoa Tran, malloyt@stthom.edu, Nicholas Zaibaq, malloyt@stthom.edu, Dac Vu,
malloyt@stthom.edu, Cesar Trivino, Elizabeth Maccato, Joveline Ollero, Dipa Balsara,
Elizabeth Kuncewicz, Lara Al-Fady, Olivia Durr, Thomas B Malloy Jr.Department of
Chemistry, University of St. Thomas, Houston, TX 77006, United States
The sophomore organic course is normally the first time students at St. Thomas
encounter NMR. The last several years have seen the use of the Anasazi Eft-60
FTNMR incorporated in organic, inorganic, instrumental, biochemistry and physical
chemistry laboratory courses. Magnetic resonance is a key technique in structural
chemistry, biochemistry, biology and medicine. In this freshman program, selected
students learned some of the fundamentals of NMR, the operation of the instrument and
the interpretation of some proton spectra. The concepts addressed included chemical
shifts, simple spin-spin splitting patterns, the effect of exchange reactions, the
quantitative application of NMR, and the use for NMR to elucidate molecular structure.
The program relies on the mentoring of freshman students by upperclassmen. This
poster discusses some of the experiments developed and the principles mastered by
the students.
CHED 462
Validation of qNMR analysis of purity of ethanol: An undergraduate chemistry
laboratory experiment

Karl S. Mueller, kmuellersd@yahoo.com, Peter T. Bell, William L. Whaley, Linda D.


Schultz.Department of Chemistry, Geosciences, and Environmental Science, Tarleton
State University, Stephenville, TX 76402, United States
Although Nuclear Magnetic Resonance Spectroscopy (NMR) is usually considered a
qualitative technique, quantitative NMR (qNMR) spectroscopy can be used as an
analytical tool by utilizing integration areas of species present in spectra of compound
mixtures. The quantity of an unknown is determined at the per cent level by comparing
the relative integration area of the unknown to that of a known amount of a standard. In
this lab experiment, 1H NMR spectroscopy is used to determine the purity of an
unknown ethanol sample using dimethyl sulfoxide (DMSO) as the internal standard and
D2O as the NMR solvent. The experiment was tested in a Quantitative Analysis
Laboratory in fall, 2012. Five students analyzed unknown mixtures over a concentration
range of 65% to 95% to which water was added as an impurity. Relative average per
cent error was less than 2% and a plot of experimental v actual concentration was
linear.
CHED 463
Construction of the surface chemistry course for different teaching students
Zhaohua Jiang, jiangzhaohua@hit.edu.cn, Zhongping Yao, Li Zhao, Li Liu, Jiupeng
Zhao, Yuyan Liu.Department of Chemical Engineering, Harbin Institute of Technology,
Harbin, China
Harbin institute of Technology of China is engaged in building an interface chemistry
course group to meet the needs of students at different levels (undergraduates, masters
and doctoral students). This course group is constructed, based on the basic principles
of interface chemistry as the course core and the universal surface phenomena as the
course axis; with the aim to cultivate the students with different levels to analyze and
solve the problems of the surface science in terms of surface view. The common basic
principles of interface chemistry is built as the shared platforms, the course models with
different depths and breadth are built based on relationships of the specialty and the
discipline. We have established three courses as follows: applied surface chemistry for
the undergraduates, surface physical chemistry for masters students and physical
chemistry of solid surface for doctoral students.
CHED 464
Tennessee women in chemistry: The bio project 2.0
Rachel Davies, rad3t@mtmail.mtsu.edu, Judith Iriarte-Gross.Department of Chemistry,
Middle Tennessee State University, Murfreesboro, Tennessee 37132, United States
Tennessee women are currently underrepresented in many STEM fields, including
chemistry. In Tennessee, possibly due to a more conservative culture, the history of

women in STEM is especially inaccessible. Recognizing that role models, especially


those that share similar backgrounds, are a major influence on the career choices of
women and girls, we have created The Bio Project, an effort to promote women role
models in STEM from Tennessee. For this project, we have identified and researched
Tennessee women in STEM, focusing on their achievements and challenges. We then
conducted a survey to ascertain the baseline awareness level of these women among
Tennesseans, and found that there was little to no awareness of their names, let alone
their achievements. Using these data, we will be able to assess our progress and
efficacy as we promote these role models in the future.
CHED 465
Chocolate as a basis for teaching students
Catherine M Reed, m135658@usna.edu, Maria J Schroeder.Department of Chemistry,
US Naval Academy, Annapolis, MD 21402, United States
While all students recognize chocolate, most are unfamiliar with its ingredients,
processing methods, and unique physical properties. The developed investigations are
centered on the structure/property relationships in chocolate illustrating that
macroscopic properties are related to the microscale structure and behavior of
molecules. One main area of focus is the thermal properties of chocolate. The fat
molecules (cocoa butter) in chocolate are polymorphic, and the presence of certain
crystal forms of cocoa butter greatly affects chocolate's physical properties. Differential
Scanning Calorimetry (DSC) is used to characterize the thermal properties of various
chocolates and map the crystal formations. Chocolates containing various types and
sizes of crystals are prepared, and their properties, through tastings, are related to
microstructure. Other areas of development include chocolate tempering, crystal
formation through nucleation, and cold extrusion of chocolate. Examples of the
classroom activities as well as the DSC experiment suitable for advanced students will
be presented.
CHED 466
Fermentation experiments to spark college student interest
Stephen C Meidus, m134524@usna.edu, Maria J Schroeder.Department of Chemistry,
US Naval Academy, Annapolis, MD 21402, United States
Beer is fascinating to study from both a chemical and biological perspective. There are
also issues involving processing and storage relevant to engineers and food scientists.
With a steady decline in college students pursuing STEM majors, laboratory
experiments involving the beer fermentation process could spark student interest and
illustrate some possible future career paths. The developed experiment involves utilizes
fermentation to produce high ethanol content products, which could be used in
alternative fuels. Using the beer fermentation process as the starting point, students will

study various yeasts, sugars, and experimental conditions, and determine which will
lead to high ethanol content. Students will also learn about yeast fermentation and
factors that control this process as well as proper sampling procedures. The ethanol
content of the products will be quantified by gas chromatography. The experiment, a
supplies list, safety precautions, and suggestions for laboratory implementation and
student activities will be presented.
CHED 467
Undergraduate kinetics laboratory experiment: The catalytic degradation of
common food dyes using the FeIII-TAML system
HanByul Chang1, HanByul.Chang@gordon.edu, Dwight Thusdy1, Terrence
Collins2. (1) Department of Chemistry, Gordon College, Wenham, MA 01984, United
States (2) Department of Chemistry, Carnegie-Mellon University, United States
The FeIII-TAML (Tetra-Amido Macrocyclic Ligand) catalysis system has been
successfully used for the degradation of a variety of pollutants through the activation of
hydrogen peroxide. In addition to showing great promise for field applications, TAML
catalysis also provides an excellent model system for undergraduate teaching labs. This
study focuses on the TAML-catalyzed decay kinetics of common FD&C food dyes. The
peroxide and food dyes used in this experiment can be purchased in grocery stores,
and are both environmentally and budget friendly. The teaching lab experiment involves
the complete determination of the rate law under various conditions, specifically those in
which relatively large TAML or peroxide concentrations facilitate the determination of
simple observed kinetics. Different dyes exhibit very different degradation kinetics
allowing for the exploration of multiple aspects of chemical kinetics. In addition to
serving as a didactic kinetics experiment, this lab also provides an excellent introduction
to green chemistry principles.
CHED 468
Art as a context for inquiry-based learning in chemistry education
Colleen Fisher, colleen.fisher@email.stvincent.edu, Steve Gravelle.Chemistry, St.
Vincent College, Latrobe, PA 15650, United States
The goal of this study was to use art as a context for inquiry-based learning in
secondary and undergraduate chemistry classrooms and labs. Inquiry-based learning is
a strategy that can be used to engage students to increase interest in science classes,
particularly for non-science majors. By incorporating art, laboratory experiments may
appeal to students not generally interested in science by showing a real-world
application of the techniques used. This experiment focuses on the study of inorganic
pigments used in paintings throughout history. Some of the pigments studied were
purchased from an art supply company; others were synthesized in the lab. Physical
observations and chemical tests were performed to aid in pigment identification. In

addition, various microscopic and spectroscopic techniques, ncluding polarized


microscopy, UV-visible absorbance, and UV-visible fluorescence, were explored. Using
the information collected through analysis, a laboratory experiment was designed for
use in a high school level or non-majors course.
CHED 469
Physical chemistry laboratory experiment: Measuring the speed of sound using
nitrocellulose
Brandon A Burnette, bab39@students.uwf.edu, Karl A Reyes, Karen S
Molek.Department of Chemistry, The University of West Florida, Pensacola, Florida
32514, United States
The speed of sound was experimentally determined through various gases and under
several temperature conditions using a machined vacuum apparatus designed using
SolidWorks. Nitrocellulose, a low order explosive, was synthesized and ignited to
generate the sound-wave. A pair of microphones, in combination with custom made
amplifiers and a Tektronix TDS 210 oscilloscope, measured and collected the speed of
sound data. Measurements were collected in Argon, Carbon Dioxide, Helium, Nitrogen,
and atmospheric gases at ambient and reduced pressure (760 to 1.0x10-4 torr), as well
as ambient and several reduced temperatures (25 to -20 C). The vacuum tube was
cooled using liquid nitrogen in combination with a layer of pipe insulation. This data was
compared to previously reported literature values to confirm accuracy. Results from the
aforementioned experiments will be presented.
CHED 470
Sonneborn Refined Products internship experience
Allison Abbey1, abb1193@setonhill.edu, Clay Rosoc2, Susan Yochum1. (1)
Department of Chemistry, Seton Hill Univeristy, Greensburg, PA 15601, United
States (2) Sonneborn Refined Products, Petrolia, PA 16050, United States
This presentation discusses an internship experience at Sonneborn Refined Products in
Petrolia, Pennsylvania. The history of the company is explained, along with experiences
in the three main laboratories. The laboratories are: barium and sodium sulfonate,
petrolatum and microcrystalline wax, and white mineral oil. Sodium Sulfonates are
discussed most in depth, explaining what they are and focusing on properties and uses
in the chemical industry. White mineral oil and microcrystalline waxes are briefly
explained and will be centered on their various applications.
CHED 471
Spectrophotometric determination of acetaminophen content and release time
from over-the-counter gel capsules

Diana M. Cedillo, dmcedillo@broncs.utpa.edu, K. Christopher Smith.Department of


Chemistry, University of Texas-Pan American, Edinburg, TX 78539, United States
Acetaminophen is a commonly used over-the-counter medicine counted on for quick
alleviation of pain symptoms. This lab experiment allows for the spectrophotometric
analysis of the total amount of acetaminophen as well as the rate of release of
acetaminophen from commonly advertised gel capsules using a system involving the
oxidation of acetaminophen by iron(III) ions followed by the complexation of the
resulting iron(II) ions with 1,10-phenanthroline to form a deep red-orange colored
complex. The colored complex is monitored, and by using a calibration curve and Beer's
Law, the total amount of acetaminophen and the rate of release of acetaminophen are
determined. This poster will describe the experiment in more detail, as well as the
results of trials of the experiment with general chemistry students.
CHED 472
Convenient portable demonstration modules
Robert G Maglott, rmason@uttyler.edu, Rachel N Mason.Department of Chemistry,
The University of Texas of Tyler, Tyler, TX 75799, United States
Chemical demonstrations can generate excitement about learning science and provide
concrete visual reinforcement of abstract concepts. Sometimes preparing, transporting
and setting up the demonstrations discourage instructors from classroom or community
event demonstrations. Our goal was to reduce the inconvenience factor by providing a
set of reliable experiments which could be easily and safely transported and used in
non-science venues with minimal preparation efforts. We created a set of plastic
shoeboxes containing all the resources required for the demonstrations. While most
chemicals are not stored in the shoeboxes, appropriately sized and labeled containers
are. The lid of the shoebox contains an inventory, the experiment procedure and the
expected outcome. Also included is an explanatory handout geared to the 6th-8th grade
level. Preparation is thus limited to obtaining the needed chemicals. In most cases the
use of dedicated equipment has also reduced the clean-up burden.
CHED 473
Exploring energy through chemistry at Carroll University
Elizabeth Ebensperger, eebenspe@pio.carrollu.edu, Jamie Platz, Katelan Hall,
Michael Harland, Gregory Marks.Deparment of Chemistry and Biochemistry, Carroll
University, Waukesha, Wisconsin 53186, United States
In order to promote both Carroll University's and American Chemical Society's theme of
energy, our chemistry club sponsored events focused on energy. Our goal was to
educate both science and non-science individuals about how energy is involved in
different aspects of chemistry and their lives. Going beyond the college level, we also

invited classes from local elementary and high schools to join us. We started by
explaining and demonstrating the different types of energy. We then focused on heat,
light, and electrical energies by putting on demonstrations such as genie in a bottle,
chemiluminescence, and making a lemon battery. We also discussed food energy by
doing peanut calorimetry and making liquid nitrogen popsicles, which demonstrates loss
of heat. Through the theme of energy, we were able to do our part in educating people
in chemistry, as well as bring members of the community and campus together through
science.
CHED 474
Five-part purification of an oxidoreductase from unicellular algae: An
undergraduate biochemistry laboratory
Bahinah Callahan, leverett@uiwtx.edu, Allyson McDonald, Betsy Leverett.Department
of Chemistry, University of the Incarnate Word, San Antonio, TX 78209, United States
A series of five experiments for biochemistry laboratory featuring the purification and
characterization of glutathione reductase (GR) from unicellular algae is described. The
experiments are demonstrated using the marine diatom, Phaeodactylum tricornutum,
and the freshwater green alga, Chlamydomonas reihnardtii, as sources for the enzyme.
The algae are grown economically using ethanol-sterilized glassware and air tubing,
with aeration provided by an aquarium pump. This GR purification introduces unicellular
algae as a study subject, and exemplifies techniques in ion-exchange and affinity
chromatography, size-exclusion techniques, dialysis, and enzyme activity analysis.
CHED 475
Development and preliminary analysis of the ACELL orientation to laboratory
instruction survey (OLIS)
Misha Asif1, asifm@unlv.nevada.edu, Akanksha Sharma1,
sharmaa6@unlv.nevada.edu, MaryKay Orgill1, Thomas J. Bussey1, Nathan Barrows2,
Allison Kay2, Megan Robb2, George M. Bodner3, Barbara L. Gonzalez4. (1) Department
of Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154-4003, United
States (2) Chemistry Department, Grand Valley State University, Allendale, MI 494019403, United States (3) Department of Chemistry, Purdue University, West Lafayette,
IN 47907, United States (4) Department of Chemistry and Biochemistry, California
State University, Fullerton, Fullerton, CA 92831, United States
As a component of the 2012 Advancing Chemistry by Enhancing Learning in the
Laboratory (ACELL) summer workshop, we developed the Orientation to Laboratory
Instruction Survey (OLIS). This survey was designed to assess workshop participants'
experiences and attitudes toward learning and teaching in the laboratory environment
including their views of inquiry-oriented laboratory teaching strategiesboth before and
after the ACELL workshop. The development of the OLIS was informed, in part, by

published surveys, reports of students' views of inquiry-based laboratories, and


instructors' misconceptions about inquiry-based teaching. In this poster presentation, we
will discuss the development and implementation of the OLIS. In order to identify any
changes in participants' instructional beliefs that may have occurred as a result of
participating in the workshop activities, we will compare participants' pre-workshop
survey responses with their post-workshop responses to the OLIS. We will also discuss
future plans for the development and refinement of the OLIS.
CHED 476
Influences of life experiences on women's science career decision-making across
generations
Tori Quist, quistt@uni.edu, Dawn Del Carlo.Department of Chemistry and
Biochemistry, University of Northern Iowa, Cedar Falls, IA 50614-0423, United States
Previous research has shown several factors including self-efficacy affect women's
choices of majors and careers (Grunert and Bodner, 2011). Most research has focused
on a small age range of women, mainly from the completion of their undergraduate
degree through the very early stages of their career. This qualitative study explored the
differences in life experiences of women from diverse generations who have chosen to
pursue science at a primarily undergraduate institution (PUI). Participants in the study
included women beginning their science undergraduate degree through women well into
their science careers. Participants completed personal statements and in-depth
interviews which explored past choices as well as current perceptions of the results of
those choices. Results indicated that the primary factors that influence women's career
choices were their accomplishments and goals, challenges, confidence, motivation,
support, and interest in science. Women's stories about their specific challenges,
support, and interest in science will be presented.
CHED 477
Nitrate and phosphate analysis by ion chromatography: Teaching and assessing
analytical skills of introductory students
Elizabeth J. Childress, gron@hendrix.edu, Shelly B. Bradley, Liz U. Gron.Chemistry,
Hendrix College, Conway, Arkansas 72032, United States
We use ion chromatography as a green tool to teach basic analytical skills to our very
greenest introductory students. This experiment introduces General Chemistry students,
in their fourth laboratory day, to volumetric analysis by creating a standard series from a
stock solution. Student solutions are analyzed by ion chromatography and the students
create calibration curves to calculate the concentration of environmental nitrate or
phosphate samples. Although students are graded on a traditional laboratory report, we
want to assess the laboratory effectiveness as a starting point for teaching analytical
skills. Students' laboratory work is evaluated by examining linearity and slope of their

calibration curves while students' conceptual understanding is evaluated using concept


maps.
CHED 478
"Greener education": Green chemistry in the high school curriculum
Steffani Zuraw, steffani.zuraw@email.stvincent.edu, Jason Vohs.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15605, United States
The importance of educating today's students on the awareness of green chemistry has
become a grand subject of interest in the world of education. By use of the twelve
principles of green chemistry, the green mass metrics, both intertwined with the holistic
green star analysis, the assessment of the greenness of the synthesis of acetylsalicylic
acid, aspirin, was conducted through various synthesis routes, including the variation of
reaction conditions, catalysts, and reagents. Using the green assessments of these
reactions, a secondary education laboratory procedure for the synthesis of
acetylsalicylic acid was devised along with a brief text concerning general information
on green chemistry and its development in the world. Students are instructed to
calculate and analyze the mass metrics for comparisons of the greenness of multiple
performed aspirin synthesis routes. A suggested area of implementation of green
chemistry through this laboratory procedure is provided for the high school chemistry
curriculum.
CHED 479
Greener dehydration chemistry: Montmorillonite clay-catalyzed dehydration of
alcohols
Rachael M. Albury, rachael.albury@gordon.edu, Justin L. Andrews,
justin.andrews@gordon.edu, Irvin J. Levy.Department of Chemistry, Gordon College,
Wenham, MA 01984, United States
Traditionally, the synthesis of alkenes from alcohols has been catalyzed by
concentrated mineral acid at high temperatures. Montmorillonite clay shows promise as
a much greener and safer substitute. In a continued effort to demonstrate the viability of
a Montmorillonite KSF clay catalyzed method as a greener alternative to the traditional
method, the clay and mineral acid catalyzed methods were analysed and compared
with respect to yield, regioselectivity and the versatility of the method when applied to
several different alcohols. Initial results indicate that, for some alcohols, regioselectvity
for formation of the product is improved with the clay-catalyzed approach.
CHED 480
Implementing green chemistry practices in the traditional undergraduate organic
laboratory

Jamie L Resnick, jlr0423@westminstercollege.edu, Robyn M Hyde.Department of


Chemistry, Westminster College, Salt Lake City, Utah 84105, United States
The scientific community is striving to find energy efficient chemical processes that limit
environmental hazards and harmful waste products in industrial settings. Until recently,
the undergraduate laboratory has been overlooked as an environment that would
benefit from the implementation of these industrial discoveries. Such changes would not
only reduce hazards and energy consumption, but also provide an opportunity to teach
chemical consciousness. Current literature on green chemistry was evaluated to identify
adaptations that could be implemented. The initial goal of this project was to maintain
the same educational focus of the labs, while making changes that would reduce the
use of environmentally unfriendly solvents. Specifically, efforts were aimed at adopting
solvent-free syntheses and modifying purification techniques. Additionally, laboratories
were modified to utilize compounds that are synthesized by students the previous year.
Evaluation of success included the consideration of robustness, cost, yield, purity,
efficiency and the demonstration of specified learning objectives.
CHED 481
Antioxidant profiling experiment for undergraduate biochemistry
Damaris Delgadillo, leverett@uiwtx.edu, Kaela Caballero, Betsy Leverett.Department
of Chemistry, University of the Incarnate Word, San Antonio, TX 78209, United States
A series of antioxidant profiling experiments for undergraduate biochemistry laboratory
is described. The antioxidant status is estimated for several species of unicellular algae
by analysis of cell lysates for peroxidase activity, superoxide scavenging, and total
antioxidant capacity. This series may also be used to compare antioxidant activity in a
single species under variable growth conditions of salinity, available nitrogen, and
temperature. These experiments are designed to exemplify concepts in redox
biochemistry, to familiarize students with enzyme analysis, and to introduce the theory
and practice of luminescence techniques in biochemistry.
CHED 482
Hypoxia induction in unicellular algae: An undergraduate biochemistry laboratory
Kaela Caballero, leverett@uiwtx.edu, David Coleman, Betsy Leverett.Department of
Chemistry, University of the Incarnate Word, San Antonio, TX 78209, United States
A series of experiments is described which demonstrates metabolic responses to
hypoxia in unicellular algae. Algae are cultivated in commercially available media, and a
system for gas delivery allows for four different oxygen conditions to be maintained.
Induction of hypoxia is demonstrated by changes in selected metabolites and alterations
in nitrogen metabolism and the citric acid cycle enzymes. These experiments provide an

illustrative tool in discussions of aerobic and anaerobic metabolism, glycolysis and the
citric acid cycle.
CHED 483
Synthesis, characterization, and catalysis of zeolite-based iron amino acid
complexes
LaQuita M. Holt1, lh02611@georgiasouthern.edu, L. Shannon Davis2. (1) Department
of Chemistry, Georgia Southern University, Statesboro, GA 30460, United States (2)
Department of Physical Sciences, Pensacola State College, Pensacola, FL 32504,
United States
There are numerous naturally occurring enzymes that oxidize chemical compounds,
such as methane, into more industrially useful chemicals, such as methanol. Mimics of
these enzymes based on iron amino acid complexes supported in zeolites have been
synthesized and their catalytic activity determined. The oxidation of benzyl alcohol
produced benzaldehyde in stoichiometric quantities. Future work includes examining
these materials for the oxidation of other substrates such as phenol, vanillin,
cyclohexanol, and 1-hexanol.
CHED 484
High school students comprehension of stoichiometry using ratio and
proportions
Patrick R. Escott, mfpage@csupomona.edu, Cynthia P. Guevara,
mfpage@csupomona.edu, Maritza Silva, Michael F. Z. Page.Department of Chemistry,
California State Polytechnic University, Pomona, Pomona, California 91768, United
States
In high school level chemistry classes, many students have a difficult time
understanding the chemical theory behind stoichiometric problems. Teachers often use
multiple approaches to improve student problem-solving strategies. A traditional method
employed by many instructors to solve these types of problems is known as
Dimensional Analysis (DA), which focuses on the cancelation of units. There is an
alternative method known as Ratio and Proportions (RAP), which emphasizes the
relationship between the molar ratio, molar mass, and the balanced equation. In this
study high school chemistry teachers incorporated the RAP method to teach
stoichiometry rather than their traditional method of DA. This study will help determine
which of these two methods results in a deeper understanding of stoichiometry by
comparing student performance on in-class assessments, district wide assessments,
and state standardized exams.
CHED 485

Ongoing analysis of interactions and argumentation during process oriented


guided inquiry learning (POGIL) in general chemistry
Meredith Frazier, mfrazier5@elon.edu, Theodora Bairaktaris, Carolyn L. Draus, Patrick
L. Daubenmire.Department of Chemistry, Loyola University Chicago, Chicago, Illinois
60626, United States
Prior research has identified discrete student interactions characterized as phases and
bridges during POGIL general chemistry instruction, which uses group activities to
foster constructivist learning via investigation of data, formation of
trends/relationships/conclusions and application of learned concepts to new situations.
As a well-established model developed for practical reasoning, the Toulmin Model of
Argumentation reflects scientific thinking effectively. This research analyzed video
transcripts of POGIL based general chemistry classes, coding for both the POGIL
Phases & Bridges interactions and the Toulmin Model in order to characterize the
overlap between the two. Levels of Toulmin arguments found in the group's dialogues
were used to assess the overlap of POGIL instruction and their use of scientific thinking.
Assessment of when different levels of argument were taking place served as evidence
to support claims about POGIL interactions vis--vis expert thinking.
CHED 486
Combining FTIR spectroscopy and the Vernier GC for the analysis of a binary
mixture: A general chemistry investigation
Logan Schmitz, david.green@pepperdine.edu, Kimberly Gerling, Joseph M. Fritsch,
David B. Green.Department of Chemistry, Pepperdine University, Malibu, CA 90263,
United States
We present a laboratory investigation in which a binary mixture of organic compounds
are analyzed first by FTIR spectroscopy to identify the predominant functional groups
possessed by the components in the mixture, followed by the determination of the
components of the mixture after gas chromatographic separation using the Vernier Mini
GC. The components are identified by comparison to authentic standards. Students
gain experience in functional group elucidation, selecting operating conditions for a gas
chromatographic separation, and operating a simple gas chromatograph early in their
academic career. To our knowledge, this represents the first reported coupling of the
methods of FTIR spectroscopy and the Vernier GC in the traditionally first-year
chemistry course.
CHED 487
Concentrations of nitrogen dioxide as distance increases away from a highway
Emilia Ben, eben@pio.carrollu.edu, Michael Schuder.Department of Chemistry, Carroll
Univeristy, Waukesha, WI 53186, United States

Concentrations of NO2 were determined at various sites at Carroll University's Greene


Field Station in southeast Wisconsin. Palme's passive diffusion tubes were mounted to
find concentrations of NO2 as distance increased away from a highway. The absorbent,
triethanolamine (TEA), was applied to the stainless steel meshes fixed within the
diffusion tubes. TEA converted NO2 molecules into nitrite anions. The nitrite anions
reacted with sulphanilamide to form a diazo cation which reacts with N-1-naphthyl
ethylene diamine and will form a conjugated azo dye. The solution of the conjugated
azo dye has absorption at 540 nm.
CHED 488
Simple and facile hydrogenation of ethyl trans-cinnamate: An undergraduate
organic chemistry laboratory experiment
Hamid Yazdekhasti, Michael Castaldi, mcastaldi@saintpeters.edu, Catalina Adorno,
cadorno@saintpeters.edu, Enhui Chen, echen@saintpeters.edu.Department of
Chemistry, Saint Peter's University, Jersey City, NJ 07306, United States
A simple and facile hydrogenation of ethyl trans-cinnamate has been developed and
carried out using ammonium formate as a hydrogen source in the presence of palladium
on carbon (Pd/C). The reaction takes place at room temperature and atmospheric
pressure without the need for special equipment. This experiment will serve as a
practical addition to an undergraduate organic chemistry laboratory
CHED 489
Creation of a fiber database using micro-spectrophotometer/FTIR
Samuel Yatzkan, syatzkan@ycp.edu, Sherry T. Brown.Department of Physical
Sciences, York College of Pennsylvania, York, PA 17403, United States
The identification and classification of fibers is very important to the field of criminal
investigation. By examining fiber evidence found on clothing, chairs, rugs, and similar
items, a possible match could link the victim to the crime scene, and to the suspect.
Using an Excalibur 3100 FTIR with a Varian UMA600 Microscope attachment I
constructed a fiber library in house that will be used by forensic classes at York College
of Pennsylvania for the analysis of mock crime scene evidence. The fabric swatches I
used as a source of the fibers, was created by Kathryn Hatch and purchased through
Textile Fabric Consultants, Inc. The Excalibur 3100 FTIR with Varian UMA600
Microscope attachment not only allows for recording the infra-red spectrum of a fiber,
but a visual image of the fiber can be captured as well. Using micro-spectrophotometer
FTIR, students will become familiar with current instrumentation as well as how the
identification of fibers is done.
CHED 490

Detecting the presence of gunshot residue of a 9mm handgun equipped with a


suppressor
David J Millard, dmillard@ycp.edu, Sherry T Brown.Department of Physical Sciences,
York College of Pennsylvania, York, Pa 17403, United States
One of the harshest penalties in the American federal system today occurs when one is
found in possession of a homemade device that muffles the sound of a gunshot, also
called a suppressor; this is why the United States Government has strict guidelines
pertaining to obtaining a suppressor. With gun violence being a major issue in recent
years, a study was performed to detect gunshot residue with different means of
suppression. A 9 millimeter semi-automatic handgun was fired into white cotton T-shirts,
at eight different distances ranging from contact to 36 inches. A control of the
unsuppressed handgun was fired first, followed by the firing of a commercially sold
suppressor on the same gun. The homemade suppressor, 20 fl oz plastic soda bottle,
was then attached to the muzzle of the handgun. The shirts were tested by inductively
coupled plasma (ICP) for trace elements in the gunshot residue.
CHED 491
Detection of blood using hemascein and fluorescein
Amanda K Lagace, alagace@ycp.edu, Sherry T Brown.Department of Physical
Sciences, York College of Pennsylvania, York, Pennsylvania 17403, United States
The detection of blood at crime scenes, when not easily detected by the eye, can be of
great value. The purpose of this study is to test the effectiveness of using Hemascein
and fluorescein in detecting latent blood stains. This experiment will use Hemascein and
fluorescein on varying dilutions of blood samples in order to test their sensitivity based
on the reaction time of the compounds. (The companies who manufacture these
detection materials will be referenced.) Blood samples that have been combined with
the Hemascein and fluorescein will also be tested with various presumptive color tests
to determine the effect of these compounds on the tests. This experiment will be
rewritten as a component of a laboratory experiment for students taking advanced
forensic science courses.
CHED 492
Identification of inks by thin-layer chromatography and high-pressure liquid
chromatography
Nicole Dixon, ndixon1@ycp.edu, Sherry T Brown.Department of Physical Sciences,
York College of Pennsylvania, York, Pennsylvania 17403, United States
In document analysis, ink identification is an important part of identifying the possible
tool and then eventually identifying the writer of the document. This same process can

be used to prove the validity or fraudulent nature of a document. A common type of ink
used by everyone sometime in their life is that of a ballpoint pen. By using the methods
of thin-layer chromatography and high-pressure liquid chromatography, the purpose of
this experiment was to identify chemical properties of the inks of popular brands of
ballpoint pens. This work was then developed into a laboratory exercise for students in
a capstone course in and undergraduate forensic science program.
CHED 493
Establishment of an infrared and ultraviolet drug library for use in an advanced
forensic course
Kathleen A Vautier, kvautier@ycp.edu, Sherry T Brown.Department of Physical
Sciences, York College of Pennsylvania, York, PA 17403, United States
Drugs cause both physical and mental impairment. These factors greatly influence
behavior that can lead to criminal activity. The easy acquisition of drugs can be the lone
cause of criminal activity. It is important to have correct identification of drugs so that
this criminal activitiy is verified. Body fluids, blood and urine particularly, are analyzed
for the presence of drugs to determine if these were factors in the activity. Many
different chemical instruments and techniques are used to analyze powdered
substances or pills found at a crime scene or in someone's possession. Up until now,
there has been no reference library for undergraduate students and faculty at York
College of Pennsylvania to use when analyzing drugs that were acquired from mock
crime scenes. This study used infrared and ultraviolet instrumentation to analyze many
common drugs, some considered 'street' drugs and other pharmaceuticals. Spectra will
be saved for future use for undergraduate students. Several pills composed of multiple
drugs were also examined to determine if each drug was detectable.
CHED 494
Student perspective of and outcomes from the 18th Conference of Parties of the
United Nation framework convention on climate change
John P Siller1, jsiller@ycp.edu, Gregory P Foy1, Keith E Peterman1, Marla Bianca2,
Diane W Husic2. (1) Department of Chemistry, York College of Pennsylvania, York,
Pennsylvania 17403, United States (2) Department of Biological Sciences, Moravian
College, Bethlehem, Pennsylvania, United States
In an effort to encourage youth involvement in promoting climate change literacy, the
American Chemical Society sponsored four student members to participate in the 18th
Conference of Parties (COP18) of the United Nations Framework Convention on
Climate Change (UNFCCC). We attended this UN climate conference in order to
observe the impact of NGO's, to interpret the important outcomes of the COP, and to
report back to students and chemists around the country, particularly the youth of the
world who are not represented in these negotiations. A primary outcome of our

participation is to make a positive difference for our future sustainability by uniting with
other youth leaders and increasing climate literacy. Youth of the world, we need to let
our voices be heard join us in the conversation.
CHED 495
Influence of climate science research on policy negotiations at the 18th
Conference of Parties
Nicole M. DeLuca, ndeluca@ycp.edu, Gregory P. Foy, Keith E. Peterman.Department
of Chemistry, York College of Pennsylvania, York, Pennsylvania 17403, United States
In its endeavor to promote climate science literacy, ACS sponsored four students to
attend the United Nations Framework Convention on Climate Change (UNFCCC) 18th
Conference of Parties (COP18) in Doha, Qatar. We aspired to engage our peers and
communities in climate change discussions through social media networking and local
newspaper publications with a special emphasis on the communication of climate
science research to the delegations of policy makers. As young people we represent
one half of the world's population. While not officially represented in the international
negotiations, the world's youth will face the consequences of climate change and
manages a drastically different world if CO2 emissions do not peak in 2015. We have
used this opportunity to set an example for educating ourselves and taking action in
hopes of inspiring our elders, peers, and future generations about climate change and
our role in it.
CHED 496
Introduction of HP-LC instrumentation to undergraduate students by quantitative
analysis of caffeine and common analgesic drugs in locally available OTC
formulations
Mary Alvarez, mary.alvarez@slcc.edu, Miriam Jaziri, miriam.jaziri@gmail.com, Peter
Iles, Neil Bastian, Ron Valcarce, Luther Giddings, Yessenia Garcia, Kristi Nuckles,
Sydney Richards.Department of Chemistry, Salt Lake Community College, Salt Lake
City, Utah 84123, United States
Undergraduate community college students worked together to design, develop,
implement, and test a procedure for the first semester organic chemistry laboratory
class which implements valuable hands-on experience with LC-MS instrumentation. The
relatively simple and cost effective quantitative analysis of nonprescription analgesic
drugs was selected to meet the following criteria. The procedures developed fit within
the standard 4 hour lab period and fit within the standard lab curriculum, including TLC
analysis and use of serial dilution to create standards for quantitative analysis with
linear regression. The experiment developed was also integrated appropriately with the
curriculum of the first semester organic chemistry course, including the topics of
functional group identification, polar-nonpolar interactions and MS fragmentation.

Finally, the lab creates an awarenes for the worldwide problem of counterfeit drugs and
was designed to relate to students interests; in particular, students who are on the premedical, pre-dental, and pre-pharmacy track.
CHED 497
Adaption of analytical procedures for GC-MS into undergraduate organic
chemistry laboratories
Mary Alvarez, mary.alvarez@slcc.edu, Sydney Richards, sydr90@hotmail.com, Peter
Iles, Lacie Cates, Kristine Buttars, Spencer Bremer, Kylee Shumway, Mckinsie Oblad,
Miriam Jaziri, Ron Valcarce, Neil Bastian, Luther Giddings.Department of Chemistry,
Salt Lake Community College, Salt Lake City, Ut 84130, United States
Salt Lake Community College has aquired a GC-MS. The chemistry department is in
the processs of incorporating this analytical technique into current organic chemistry
labs. Undergraduate students are adapting a current essential oils extraction lab to
include use of GC-MS for identification of the essential oil. The students are also
creating a library of common household items that lab students can bring to class to run
steam distillations and extractions on. The library will consist of GC-MS scans that
students can compare their extractions against.
CHED 498
Fluoride by flow injection analysis: A new general chemistry experiment
Peter Iles, Brad Foster, bfoste10@gmail.com, Zach Jones, Sarah Moore, Joseph
Warren, Neil Bastian, Luther Giddings, Mary Alvarez, Ron Valcarce, Nathan Butler,
Michael Tranter, Brian Louie, Shauna Mendes-Thorpe, Mahsa Adabkhah.Department of
Chemistry, Salt Lake Community College, Salt Lake City, UT 84130, United States
An experiment for general chemistry lab to determine the amount of Fluoride in tap
water was developed. The performance of Chemflow FIP-3 and FIP-4, and a Global FIA
flow cells were evaluated with respect to sample through-put, precision and detection
limit. The Chemflow FIP-3 and FIP-4 flow cells flow cell with an in-built reference system
out-performed the Global flow cell in all parameters. Sample through-puts of 120 per
hour were easily obtained. Though the Global flow cell had far slower sample
throughput it could still be used in the time available for the lab class. The voltage
measurements are performed with Microlab instruments and laptop computers. This
experiment introduces students to the analytical applications of Voltaic cells as well as
lab automation and micro and nanofluidic devices through Flow Injection Analysis while
providing the students with an opportunity to make measurement that relate to their
local community.
CHED 499

New general chemistry experiment: Analysis of trace metals by squarewave


polarography in local rivers
Peter Iles, Chris Thurman, peter.iles@slcc.edu, Neil Bastian, Ron Valcarce, Mary
Alvarez.Department of Chemistry, Salt Lake Community College, Salt Lake City, Ut
84130, United States
A new experiment for General Chemistry 2 lab where the students determine the
amount of trace metals by squarewave polarography in local rivers is reported. The
SLCC chemistry department has been investigating pollutants in the local rivers over
the past 3 years and this has lead to the development of a new experiment for the
general chemistry 2 lab where we are replacing some outdated electrochemical
experiments with new instrumental methods. In this case the students are not only
exposed the principles of electrolysis but also the quantitative aspects at trace level
concentrations. Lead, cadmium and copper have been detected at ppb levels. The
experiment allows the students also to make measurements on samples of local
relevance.
CHED 500
Expansion of the Science Resource Center at Salt Lake Community College
Peter Iles, Sydney Richards, sydr90@hotmail.com, Jory Lusk, Neil Bastian, Luther
Giddings, Ryan Holcomb, Mary Alvarez.Department of Chemistry, Salt Lake Community
College, Salt Lake City, Ut 84130, United States
The Science Resource Center at SLCC, originally established as a chemistry center,
currently meets the needs of students, adjunct and full-time faculty for tutoring,
computing, consultation, and group study in all the physical sciences. Data on the
number of students and faculty served and the costs involved is reported. The
developmental history of the center is reported here along with improvements in tutorial
quality due to a second influx of one time funds. Examples of this are the expansion of
the subjects covered, such as geosciences and engineering, as well as the SRC can
now run summer PCAT review classes. The relationship between quality and the
number of students assisted is presented. The history the various factors influencing the
development, the funding and space issues and the blending with other resources of the
division and school of Science Math and Engineering as well as outside sources.
CHED 501
Synthesis and LCMS analysis of the pharmaceutical Phenytoin demonstrating the
pinacol rearrangement
Peter Iles, Subash Basnet, subasnet@hotmail.com, Spencer Bremer, Jonathan Fisher,
Nicholas Astorga, Mahsa Adabkhah, Amy H Ton, Ron Valcarce, Neil Bastian, Mary

Alvarez, Luther Giddings.Department of Chemistry, Salt Lake Community College, Salt


Lake City, UT 84130, United States
The purpose of this research project was to develop an undergraduate organic
laboratory experiment to provide a demonstrable example of the Pinacol
rearrangement. Phenytoin, an antiepileptic drug that was first synthesized in 1908 by
the Biltz, is synthesized in this experiment is. This synthesis involves base catalyzed
addition of urea to benzil followed by Pinacol rearrangement to form Phenytoin. This is
an ideal synthesis for demonstrating the Pinacol rearrangement at the undergraduate
level, since the starting materials are readily accessible, the synthesis can be achieved
and product isolated within a three to four hour time frame and the product is easily
characterized using FTIR and LCMS.
CHED 502
Rate a drug: A community health project
Peter Iles, Hazhar Yousif, yousifhazhar@yahoo.com, Sheeva Aboutaleb, Jonathan
Fisher, Meghann Daw, Subash Basnet, Nicholas Astorga, Amy Ton, Kelly Ma, Michael
Tranter, Macabe Coombs, Michael Smith, Darren Seegmiller, Darion Bevan, Ron
Valcarce, Neil Bastian, Luther Giddings, Mary Alvarez.Department of Chemistry, Salt
Lake Community College, Salt Lake City, UT 84130, United States
Understanding side effects, successful medications, and pathogenic effects is crucial to
chemistry students going into a health related field. Working with the company
rateadrug.com, the Salt Lake Community rate a drug group (RAD) has endeavored to
address the many what it takes to understand and educate the public on
pharmaceuticals. Patient evaluations were carried out by patient perception surveys on
the rate a drug website and addressed side effects and efficacy of medications and
supplements. The work focuses specifically on a health condition where a blog was
created and weekly updated to share with the public RAD's findings. Published
information on side effects, dosage and details of specific drugs is also posted on
rateadrug.com. The aim of the RAD's research is to raise awareness among students in
our school, members of our community and, optimistically, the nation, about the
personal responsibility to educate oneself about the medications being used.
CHED 503
Optimizing a nitration experiment
Tracey Engesser, tracey.engesser@smsu.edu, Robert Eliason, Noelle J.
Beyer.Department of Science, Southwest Minnesota State University, Marshall,
Minnesota 56258, United States
Electrophilic aromatic substitution reactions illustrated by nitration reactions are
common in undergraduate organic laboratories, but no experiments utilize a stepwise

addition of nitro groups to the aromatic system. The procedure of the well-known
synthesis of 2-(2',4'-dinitrobenzyl)pyridine from 2-benzylpyridine gives dinitration
exclusively. We are trying to enhance the pedagogical utility of this experiment. We
have worked out a nitration procedure that leads to the formation of the mononitro
product, 2-(4'-nitrobenzyl)pyridine, and we have successfully nitrated the mononitro
product to 2-(2',4'-dinitrobenzyl)pyridine. We are currently working to optimize reaction
conditions for use of this experiment in our organic chemistry course.
CHED 504
Effects of concept mapping on formal report quality in the general chemistry
laboratory
Jerica L. Briggs, hel8169@student.waynesburg.edu, Isaiah Cochran,
coc9815@student.waynesburg.edu, Megan Wojtowicz, Heidi J. Fletcher, Evonne
Baldauff.Department of Chemistry and Forensic Science, Waynesburg University,
Waynesburg, PA 15370, United States
A reoccurring issue in the general chemistry laboratory is that students fail to make
connections between the data collected and the overall purpose for the experiment.
This becomes apparent in the results and discussion section of the lab report and
implies that the objectives of the experiment are not obvious or interpretable for the
student. The use of concept mapping as a supplemental learning tool is a researchproven technique for improving student understanding of abstract concepts. The
LabMap is a student-designed concept map intended to help students construct links
between the purpose of the lab, the key data collected, and the results. All groups will
perform the same experiment and be asked to write a formal report, with selected
sections completing their concept map prior to writing the report. Final grades on all
reports will be analyzed to create improvement curves. The LabMap documents will be
collected, coded, and analyzed.
CHED 505
Development of an instructional laboratory experience utilizing 1H-NMR to
determine fat characteristics from food samples
Amy C. Moore, moorea8@winthrop.edu, Aaron M. Hartel.Department of Chemistry,
Winthrop University, Rock Hill, SC 29733, United States
Student engagement should be a priority in developing new laboratory experiences. We
have developed a laboratory exercise in which students analyze packaged
convenience foods (crackers, cookies, chips, candies) to determine several
characteristics about the food's fat content. In this lab, students extract the fat from a
sample of the food and gravimetrically determine the amount of fat per serving. The
students acquire a 1H-NMR of the recovered fat and use the data to determine the
levels of saturated, unsaturated, monounsaturated and polyunsaturated fats in the food.

Students can then compare their results to the information provided on the food
package label. This experiment engages students in the learning process by connecting
with their prior knowledge and familiarity of the foods used. By performing the exercise,
students learn several important concepts and techniques of organic chemistry such as
extraction, filtration, structure-solubility relationships, NMR spectroscopy, and structural
characteristics of fats.
CHED 506
Youth involvement at the 18th Conference of Parties and the need for climate
science literacy
Parker D McCrary1, pmccrary1@crimson.ua.edu, Nicole M DeLuca2, Gregory P Foy2,
Keith E Peterman2, Robin D Rogers1. (1) Center for Green Manufacturing and
Department of Chemistry, The University of Alabama, Tuscaloosa, AL 35487, United
States (2) Department of Physical Science, York College Pennsylvania, York, PA
17403, United States
Based on the increasing emphasis placed on climate science literacy by the American
Chemical Society, a group of students were chosen to travel to Doha, Qatar to
participate in the United Nations Framework Convention on Climate Change (UNFCCC)
18th Conference of Parties (COP18). Our primary purpose for attending the conference
was to help engage the youth of our world and to promote youth involvement in the
United States through social media networking. Although climate science literacy is
increasing, more effort must be taken to advance the discourse in order to help promote
sustainability and green chemistry. Our efforts are a small step towards climate science
literacy, but our country must begin to take giant leaps. In this presentation, We discuss
our experiences in attending COP 18 with a special emphasis on youth involvement and
the need for climate science literacy.
CHED 507
Fabrication of a new metal organic framework for future gas storage applications
Anh T. Vu, anh.vu@utdallas.edu, Anne M. Marti, Kenneth J. Balkus Jr..Department of
Chemistry & The UTD NanoTech Institute, The University of Texas at Dallas,
Richardson, TX 75080, United States
Metal organic frameworks (MOFs) are crystalline materials consisting of inorganic metal
ions and organic linkers forming a variety of porous structures with high surface area
and tunable properties. MOFs have been studied for applications such as gas
separation and storage, as well as catalysis and chemical sensing. Our study involves
the generation of a new MOF by extending the organic linker of an already known MOF,
STU-1, which incorporates zinc and/or cobalt metal ions and linker molecules of 4imidazolecarboxaldehyde. This involves the synthesis of a new crystalline organic linker
by reacting two 4-imidazolecarboxaldehyde molecules with one ethylenediamine

molecule, forming an imine bond, characterized by XRD, FT-IR, and SEM. The new
organic linker has been utilized in the formation of the new MOF by solvothermally
reacting it with zinc metal ions. We expect the new MOF to exhibit a high affinity for CO2
and become an interesting candidate for CO2 capture.
CHED 508
Small molecules, big ideas: Integrative chemistry and prison exchange
Zak A Johnson, zajohn09@stlawu.edu, Samantha Glazier.Department of Chemistry,
St. Lawrence University, Canton, New York 13617, United States
The goal of this project is to create a chemistry course for the Inside Out program at the
Upstate Correctional Facility in Malone, NY that will develop students' reasoning along
with central chemistry concepts of atomic structure, bonding, entropy, and enthalpy, to
name a handful. Inside Out is a national prison exchange program that brings a college
course to a prison, defined by collaboration between college students and incarcerated
persons to learn a topic together. College students serve as a model for incarcerated
persons in the development of study habits, creative thinking, logical reasoning and
peer discussion with the intention of enriching personal academic experience. A
complete syllabus outlining course requirements, evaluation criteria, and twelve new
lesson plans will complete the first half of the project. The second half of the project will
be the implementation of the course at Upstate Correctional Facility during the spring
semester.
CHED 509
Evaluating effects of the Arlington undergraduate research-based achievement
for STEM (AURAS) program on the performance of engineering students in
chemistry courses
Emmanuel Varona, emmanuel.varona@mavs.uta.edu, Pricscila Martinez-Avila, Doug
D. Carlton Jr., Abegayl Thomas, Kevin A. Schug.Department of Chemistry and
Biochemistry, The University of Texas at Arlington, Arlington, Texas 76019, United
States
Studies show that STEM students are poorly retained in their major. To address this
problem, The University of Texas at Arlington developed a retention program to support
STEM students. Arlington Undergraduate Research-based Achievement for STEM
(AURAS) includes an Emerging Scholar Program (ESP) to support students in required
chemistry courses. A learning outcomes-based assessment was developed to measure
individual progress of students and to reinforce topics with poor performance. Quizzes
and exams were aligned with learning outcomes and were used to assess individual
mastery of course material. The assessment showed an upward trend in topics
mastered and a high retention rate. Overall, there was a significant difference on test
scores and course pass rates by students in ESP versus non- ESP students.

Specifically, in fall 2011, 83% of ESP students earned a C or better in the course, as
opposed to 57% of non- ESP students.
CHED 510
WikiHyperGlossary (WHG): New knowledge frameworks for historical documents
and the role of Web APIs
Andrew P. Cornell1, apcornel@ualr.edu, Mich A. Bau2,3, Daniel Berleant2, Robert E.
Belford1. (1) Department of Chemistry, University of Arkansas at Little Rock, Little
Rock, AR 72204, United States (2) Department of Information Science, University of
Arkansas at Little Rock, Little Rock, AR 72204, United States (3) Joint Bioinformatics
Program, University of Arkansas for Medical Sciences, Little Rock, AR 72204, United
States
One of the challenges early 21st century scientists and educators face is the
implementation of digital ICTs (Information and Communication Technologies) in an
information landscape paradigm based on Gutenberg era print-based communications.
Through automated markup and Web APIs (Application Programming Interfaces) the
WikiHyperGlossary (WHG) bridges these ICTs, directly connecting digitized printed
documents to modern chemical information services and cheminformatic software
agents. The result is the possibility of enhanced learning by connecting both current and
historical print-based documents to social and semantic knowledge frameworks that
provide new opportunities for knowledge discovery and verification. This poster will
focus on the role of Web APIs and chemical identifiers in the WHG architecture. Specific
examples will be provided along with a description of how the architecture enables the
development of new features and supports extending this technology to other
disciplines.
CHED 511
Video instructions for use of chemical instrumentation
Wojciech T Osowiecki, wojciech.osowiecki@yale.edu, Christine DiMeglio, Eric K
Paulson.Department of Chemistry, Yale University, New Haven, Connecticut 06520,
United States
Contemporary multimedia technology has made it possible for almost anyone to
produce and distribute video content, and students are increasingly beginning to expect
tailored video content as a standard part of their learning process. In the Yale Chemical
& Biophysical Instrumentation Center, we have made a series of targeted training
videos covering the usage of specific analytical instruments and related software,
including NMR, GC-MS, FTIR and MALDI-TOF MS. These videos, distributed via
YouTube, complement written instructions and serve as an introduction for new users in
the facility. They also lessen the work of faculty and staff by serving as a reference for
the most frequently asked questions about the instruments. In this poster, we detail our

experiences shooting videos in an often noisy open-access instrument center


environment, and show how we have integrated video instruction into an undergraduate
organic chemistry laboratory course.
CHED 512
Ratemyprofessors.com: General chemistry students' contribution and use
patterns
Patrick McKeny, mckeny@mail.usf.edu, Todd A Gatlin, Adrian Villalta-Cerdas,
Santiago Sandi-Urena.Department of Chemistry, University of South Florida, Tampa, FL
33620, United States
Online rating websites such as Ratemyprofessors.com (RMP) influence college
professor and course selections. However, their use often sparks skepticism among
instructors because of the self-selected nature of raters. Prior research on this topic in
chemistry education concluded that RMP might be used as a valid source of
supplemental information for evaluating instruction. The objectives of this study were to
determine students' motives behind contributing to the site and to determine how
students use the site to inform their decision making process. 500 General Chemistry
students over the course of two years completed a 50-question survey addressing RMP
use patterns. Findings suggest the majority of students use RMP and found it useful.
Contributors' motives varied but were quite different from commonly held conceptions
(e.g. They post to rant.). The contention is put forth that chemistry departments and
professors may find a valuable supplemental source of information in RMP data.
CHED 513
Combined video and laboratory exercise for project-based isolation of medicinal
compounds from osage orange
Margaret J. Risher, mjrisher@gmail.com, William Whaley.Chemistry, Geosciences and
Environmental Science, Tarleton State University, Stephenville, TX 76402, United
States
Project-based learning experiences can be used to simulate a research problem in the
Organic Chemistry teaching laboratory. A set of video recordings was developed to
rapidly introduce the historical background for a project-based exercise that involves
extraction and purification of two isoflavones from Osage orange. These isoflavones,
osajin and pomiferin, differ by the presence of a single oxygen atom (in pomiferin);
however, they have very different chemical and medicinal activities. Using a
prepackaged Alumina-B cartridge, it is possible to rapidly purify these compounds in
milligram quantities. These preparations are sufficient to allow analysis of these
compounds by several instrumental methods. After students have had an opportunity to
verify the structures of these purified compounds, they can experience a video that
discusses potential uses of these compounds as medications or personal care products.

The combination of video and laboratory exercise provides a time-efficient manner to


deliver a project-based learning experience.
CHED 514
Simple lecture demonstrations of interfacial energy concepts using modern
materials
Matthew A Luckey1, w.alexander@memphis.edu, Phillip W Alexander2, William A
Alexander1. (1) Department of Chemistry, The University of Memphis, Memphis, TN
38152, United States (2) Department of Chemistry, Marshall University, Huntington,
WV 25755, United States
Understanding intermolecular interactions is of paramount importance for students to
develop a robust chemical intuition. Intermolecular interactions are inherently
microscopic phenomena, which hardly lend themselves to effective and instructive
classroom demonstrations. We use simple video equipment (i.e. web cams) to project
the macroscopically-visible wetting behavior of droplet/surface systems, which results
from specific interfacial intermolecular interactions. Using self-assembled monolayers
as well-ordered model surfaces, we alter the interfacial chemical functionality, giving
rise to variation in the contact angle of a sessile droplet. The different wetting properties
of pine boards with 1) no treatment, 2) chemical pressure treatment, and 3) wood
acetylation treatment are also compared. In addition to gaining an appreciation for how
microscopic intermolecular interactions become important in the macroscopic world,
using acetylated wood samples exposes students to a new chemical technology, and
prompts discussion of green chemistry practices in wood preservation. Results from
ongoing learning outcome assessments will be reported.
CHED 515
Spectroscopic and photochemical studies of sunscreen active ingredients: An
undergraduate physical chemistry experiment
Megan S Claflin, megan.claflin@mnsu.edu, John D Thoemke.Department of Chemistry
and Geology, Minnesota State University, Mankato, Mankato, MN 56001, United States
We have developed an undergraduate physical chemistry laboratory experiment
examining the properties of three compounds that are active ingredients in common
sunscreen products: avobenzone (1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1,3propanedione), oxybenzone (2-hydroxy-4-methoxybenzophenone), octyl 4methoxycinnamate (OMC) (2-ethylhexyl-4-methoxycinnamate). Aqueous solutions of
the compounds are exposed to simulated sunlight in a merry-go-round photochemical
reactor. Students work through a kinetic analysis of the direct photolysis of each
compound using high performance liquid chromatography (HPLC) determination.
Students also use rates of furfuryl alcohol consumption in the irradiated solutions to
analyze the quantum yield of singlet oxygen production. Finally, absorbance and

fluorescence spectra, along with each compound's molecular structure are evaluated.
Students are then asked to correlate which compounds undergo direct photolysis,
generate singlet oxygen, or resist photodegradation based on the compounds'
molecular and spectroscopic characteristics.
CHED 516
Why do some students privilege chemistry knowledge while other students
privilege consumer knowledge when confronting cost-benefits questions in
chemistry?
Janessa` Dunn1, jd02983@georgiasouthern.edu, Steven Culliper2, Shainaz M
Landge1, Hannah Sevian2. (1) Department of Chemistry, Georgia Southern University,
Stateboro, Georgia 30458, United States (2) Department of Chemistry, University of
Massachusetts Boston, Boston, Massachusetts 02125, United States
Students apply both consumer and chemistry knowledge to solving problems in
chemistry, particularly when those problems have relevance to their lives. In the context
of studying a learning progression on chemical design across the timespan of middle
school through graduation from university, undergraduate students' understanding of
benefits, costs and risks in the design of chemical processes is being investigated.
Preliminary data collected through surveys and interviews about a case study on
refrigeration compounds revealed that, while students applied both consumer (common)
knowledge and chemistry (school-based) knowledge to the case study, most
undergraduate students taking general and organic chemistry at two culturally divergent
universities privileged consumer knowledge over chemistry knowledge, while the
opposite occurred with a small number of students. A second series of interviews
intends to uncover relationships among demographic, interest, and ideology variables
that may partially explain why one type of knowledge is privileged over the other.
CHED 517
Bridging the gap: A comparison of students' high school and general chemistry
lab experiences
Megan Robb1, robbm@mail.gvsu.edu, Allison Kay1, kayal@mail.gvsu.edu, Thomas
Bussey2, MaryKay Orgill2, Nathan Barrows1. (1) Department of Chemistry, Grand
Valley State University, Allendale, MI 49401, United States (2) Department of
Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154, United States
General chemistry is often an overwhelming experience for students. Although the
laboratory component is often viewed by instructors as another way to increase student
understanding of concepts, the lab experience can be quite frustrating and add to
students' confusion. Whereas instructors might attribute difficulties in lab to negative
attitudes, poor preparation for lab, or inattention to lab procedures, they often forget that
their students bring a wide variety of high school lab experiences to the college

classroom. Difficulties in lab may exist due to the disparity between the lab skills taught
at the high-school level and the performance expectations of college lab instructors, but
relatively few research studies have directly examined this factor via student interviews.
This qualitative study investigated students' lab experiences at the high school and
college levels via focus group and individual interviews. The recordings were
transcribed and analyzed using methods informed by grounded theory.
CHED 518
Fun and frustration: Students' perspectives of college-level laboratories
Allison Kay1, kayal@mail.gvsu.edu, Megan Robb1, robbm@mail.gvsu.edu, Thomas
Bussey2, MaryKay Orgill2, Nathan Barrows1. (1) Department of Chemistry, Grand
Valley State University, Allendale, MI 49401, United States (2) Department of
Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154, United States
For the past several decades, the lab curriculum of college-level chemistry courses has
gradually shifted to incorporate more inquiry-based investigations. While some students
and instructors respond favorably to these changes, others are more resistant. Although
instructors and students might be expected to have very different perspectives of lab
activities, students are by no means a homogeneous group in this regard. This study
investigated the experiences, preferences, and frustrations of 24 students regarding
their college-level chemistry labs. Preliminary data analysis indicates that students
attached strong negative and positive feelings to specific lab activities, the organization
of the lab environment, and the extramural requirements associated with a chemistry
laboratory.
CHED 519
Spelling words using chemical element symbols
Nizhonabah Williams, Dave.Duncan@Ganado.k12.az.us, Sunny McCabe,
Dave.Duncan@Ganado.k12.az.us, Josie Martinez, Dave.Duncan@Ganado.k12.az.us,
Ashley Shondee, Dave.Duncan@Ganado.k12.az.us, Kassie Shondee,
Dave.Duncan@Ganado.k12.az.us, Mariah Yazzie, Dave.Duncan@Ganado.k12.az.us,
David J. Duncan.DEPARTMENT OF CHEMISTRY, GANADO UNIFIED SCHOOL
DISTRICT, Ganado, AZ 86505, United States
One of the struggles of a first year Chemistry student is to be able to learn chemical
element names, and chemical element symbols. Each student is essentially a Science
Language Learner (SLL). This lesson incorporates using chemical symbols to spell
ordinary words. It helps familiarize the students with the spelling of the elements and
their pronunciations. It causes students to become familiar with element locations on the
periodic table. In addition, they are able to translate from element to symbol and from
symbol to element name. Some students really enjoy this lesson. From 72 student's

submissions we were able to compile a list of over 1400 unique words using over 109 of
118 different symbols.
CHED 520
Live action chemistry displays and related material science
Tate J Campbell, tcampbell8@mail.csuchico.edu, Thomas W.
Killingsworth.Department of Chemistry & Biochemistry, California State University,
Chico, Chico, CA 95926, United States
Development of live-action chemistry demonstrations for display cases and museums
will be presented. We have been developing self-contained chemical reactions. These
self-contained set ups are designed last for weeks. They are also chosen to develop
interest and keep viewers coming back for more time-after-time. Systems that have
been developed, are being developed and planned to be developed will be presented.
Correlation of the systems with the NRS standards for informal science education will
also be presented. The focus of our systems is on small, airtight apparatus' which
contain two separate aqueous solutions. These systems can be used in order to study
evaporation and diffusivity of gaseous species in the atmosphere, typically strongly
ammoniacal solutions in conjunction with ionic cuprous solutions have been used in the
past.
CHED 521
Synthesizing cadmium selenide quantum dots for an educational demonstration
on fluorescence
Jessica Barilone, layla.venturini@maine.edu, Patrick Wallace, Alex Blanchard, Henry
Brown, Peter Woodruff.Department of Chemistry, University of Southern Maine,
Portland, Maine 04104, United States
The USM Chemistry Club works to develop new and interesting ways to educate
students of all ages about a variety of chemical principles. Each year we work to
incorporate new demonstrations that highlight a different principle. The University of
Southern Maine Chemistry Club synthesized quantum dots as a means to demonstrate
the various fluorescence capabilities of molecules, and the different energies associated
with different wavelengths of light. Quantum dots are a type of nanoscale particle whose
electronic energy levels are dependent on their individual size, quantum dots of various
diameters emit photons of different energy levels due to quantum confinement effects.
The unique properties of quantum dots have made them useful in applications such as
optoelectronics, wavelength tunable lasers, and bioanalytical methods. Quantum dots
can be used as a safe, interactive way for children to observe the effects of electronic
excitation, and photon emission.
CHED 522

University of Southern Maine department of chemistry encourages local teens to


embrace STEM fields through hands-on laboratory experiments
Alex Blanchard, layla.venturini@maine.edu, David Finocchietti, Courtney Pizzo, Peter
Woodruff.Department of Chemistry, University of Southern Maine, Portland, Maine
04104, United States
The University of Southern Maine Department of Chemistry and Chemistry Club work in
concert to connect with students from local high schools. This year a collaborative
project was developed to encourage students to enroll in STEM (science, technology,
engineering, mathematics) programs. Members of the USM Chemistry club worked
alongside chemistry faculty to teach basic laboratory techniques to local high school
students. Over 100 students from Casco Bay High School's sophomore class were
invited to work in laboratories at the University of Southern Maine. The students worked
in the analytical, organic, and biochemistry laboratories and learned about 1) organic
extractions via column chromatography, 2) thin layer chromatography and 3)
fluorometry. The goal of this project was to expose students to basic laboratory
techniques and instrumentation in hopes that it will encourage them to pursue a career
in the STEM fields.
CHED 523
Affinity capillary electrophoresis for the study of glycosaminoglycan-protein
interactions
McKenna Feltes, mfeltes@drury.edu, Brittany Sanders, bsanders03@drury.edu,
Albert Korir.Department of Chemistry, Drury University, Springfield, Missouri 65802,
United States
Glycosaminoglycans (GAGs), such as heparin and heparan sulfates, are known to
influence in-vivo activities of a wide range of proteins. GAGs consist of repeat
disaccharide units that differ in basic monosaccharide sequence, substitution pattern,
and stereochemistry of the glycosidic linkages. The structural complexity of GAG chains
present considerable challenges in studying their molecular interactions with proteins.
We present an affinity capillary electrophoresis (ACE) method to study GAG-protein
interactions. ACE is well suited for highly anionic analytes, such as heparin-derived
oligosaccharides, for which large differences in electrophoretic mobility can be observed
between the complex and the free target protein. Binding parameters can be obtained
reproducibly with minimal sample consumption. Results obtained will be validated using
computational approaches and nuclear magnetic resonance (NMR) spectroscopy.
Elucidation of GAG-protein interactions can provide critical insight into mechanisms
underlying important biological processes.
CHED 524
Solvent free stereoselective reduction of carbonyl groups

Emmanuel Lopez-Nogueras1, emmanuel.lopez4@hotmail.com, David Sanabria2,


Ingrid Montes-Gonzalez1, Sara M Delgado-Rivera1. (1) Department of Chemistry,
University of Puerto Rico Rio Piedras Campus, San Juan, Puerto Rico 00931, Puerto
Rico (2) Department of Chemistry, Interamerican University of Puerto Rico Metro
Campus, San Juan, Puerto Rico 00926, Puerto Rico
Stereoselective reductions are very important in organic synthesis. Reduction reactions
have been thoroughly discussed in undergraduate organic chemistry laboratory
textbooks, however most procedures highlight the reaction with little or no emphasis on
its stereoselectivity. This poster presents an experiment using the guided-inquiry
approach for a systematic study on the stereoselective reduction of cyclohexanone
derivatives applying green chemistry principles. This approach consists mainly, but not
exclusively, of a solvent free media. Parameters such as stoichiometry, stirring time,
and temperature were studied. Spectroscopic techniques were implemented to
characterize and determine the stereoselectivity of the products. It is expected that after
the laboratory, the student will have a more in-depth knowledge of NMR spectroscopy
and understand the full advantages of this technique. This will help them to integrate
learned fundamental concepts and encouraging them to explore a research-type
experience in the solution of problems.
CHED 525
Electrophoretic deposition of Co nanoparticles for Co3O4 films
Don-Hyung Ha2, Richard Robinson2, Diana M Gooding1,
richard.d.robinson@gmail.com. (1) Department of Physics, Transylvania University,
Lexington, Kentucky 40508, United States (2) Department of Materials Science and
Engineering, Cornell University, Ithaca, NY 14853, United States
Co3O4 nanoparticles are an attractive material for Li-ion battery anodes, because they
have a volumetric and gravimetric capacity 2.5 times greater than that of graphite.
These anodes can be prepared through calcination of electrophoretically deposited films
of Co nanoparticles. While this method produces battery anodes with high gravimetric
(>830 mAh/g) and volumetric (>2100 mAh/cm3) capacities, the deposited film's
thickness and density are crucial to the battery's capacity and longevity. This work
demonstrates control over the thickness and density of Co3O4 NP films through the
variation of electrophoretic deposition (EPD) parameters. Starting with Co
nanoparticles, we altered the solution concentration and applied voltage across an EPD
cell. Generally, the resulting films' density increases with increasing voltage, and
decreases with increasing concentration. Because these trends hold for films in the
Co3O4 phase, we demonstrate the ability to tune the thickness and density of Co3O4
films starting simply with EPD parameters.
CHED 526
Bridging knowledge gaps in chemical concepts

Connie Gabel, Cristina Winchester, cmorri52@msudenver.edu, Jeremy O'Brien,


jobrie35@msudenver.edu.Department of Chemistry, Metropolitan State University of
Denver, Denver, Colorado 80217, United States
General chemistry knowledge is important for chemistry and biology students. By
improving chemistry knowledge, biology students should have a more conceptual
understanding of these topics. Students are expected to have prior knowledge of
algebraic methods when they enter general chemistry. In assessing their ability to apply
these skills to chemistry problems, their understanding of these concepts is determined.
Supplemental Instruction (SI) provides an opportunity for students, outside of traditional
lecture, to apply chemical knowledge to problems and discussion. The SI Peer Leader
serves as the expert in constructing chemical knowledge. Students are often unable to
identify gaps in their knowledge. By asking appropriate questions, the expert is able to
identify knowledge gaps and help students make connections between chemical
concepts. In this way, students are able to achieve greater depth of knowledge. The
purpose of this research was to assess if there is a benefit to students participating in
SI.
CHED 527
Green organic chemistry labs at a community college
Pei Shan Chen, homar.barcena@kingsborough.edu, Homar Barcena.Physical
Sciences, Kingsborough Community College, Brooklyn, NY 11235, United States
Green organic chemistry labs were tested for use in a community college classroom
setting. Experiments were adapted for teaching colleges that have few resources and
are not equipped with a fume cupboard for each student to use. Standard laboratory
glassware were used, as well as characterization methods. Multiple-step reactions were
also developed sequentially to follow the pace of the lecture.
CHED 528
Design and implementation of high school chemistry labs utilizing remote
scanning electron microscopy
Joseph H. Gault, jhgcchs@gmail.com, Emily L Janicki, Kimberly A Rosmus, Nolan R
Larry, Jennifer A Aitken.Department of Chemistry and Biochemistry, Duquesne
University, Pittsburgh, PA 15219, United States
Scanning electron microscopy uses electrons to produce magnified images of samples
with a resolution on the order of several nanometers and large depth of field. The SEM
at Duquesne University was set up for remote access through a standard Internet
connection. To begin with, two chemistry labs were designed to implement the use of
the scanning electron microscope (SEM) in a high school classroom setting. An
introductory laboratory using a copper penny serves to introduce students to the

microscope and basic techniques of microscopy. A more advanced laboratory on


imaging aluminum hydroxide crystals obtained from the decomposition of a standard
aluminum can was also designed. For each lab, a presentation tutorial, student and
teacher handouts, video tutorials, and pictures of the samples were created.
Additionally, the concepts of the labs include Pennsylvania State Standards, which are
highlighted in the respective laboratory manuals that were prepared in this work.
CHED 529
Synthesis of a fluorescent conjugated polymer in the undergraduate teaching
laboratory
Teresa Mako, tmako17@my.uri.edu, Mindy Levine.Department of Chemistry, University
of Rhode Island, Kingston, RI 02881, United States
Reported herein is the synthesis of a fluorescent conjugated polymer in an
undergraduate teaching laboratory. While fluorescent polymers have tremendous utility
in research laboratories and in industry, there are only a handful of examples of polymer
synthesis in the undergraduate laboratory setting. Previous syntheses of MEH-PPV
(poly[2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene vinylene]) were examined and
modified into a procedure amenable for an undergraduate teaching laboratory. This
modified synthesis was performed in a three-hour laboratory period without requiring a
glovebox or excessive inert atmosphere conditions. Once synthesized, the polymer was
characterized by absorbance and fluorescence spectroscopy, as well as NMR
spectroscopy. The polymer was also used for the synthesis of nanoparticles and thin
films. In summary, 13/14 students in the laboratory were able to successfully synthesize
and characterize the polymer, MEH-PPV, using our newly developed procedure.
CHED 530
Novel approach to increase student satisfaction and performance in organic
chemistry
Jacob R Acharte, jacobacharte@yahoo.com, Holly L Sebahar,
holly.sebahar@utah.edu.Chemistry, University of Utah, Salt Lake City, Utah 84115,
United States
In an Organic Chemistry classroom of 200+ students it can be both overwhelming and
difficult for the professor and students to build a relationship. This lack of connection
can have negative affects on the student's overall grade, college experience, and future
career. Method used: TA's would meet with students once a week to go over the
previous discussion worksheet. TA's got to get to know their students and were able to
identify their needs. After each session the TA's reported back to the professor clarifying
the student struggles. Students with lower grades were selected to comprise the
majority of the group, but it was critical that a few students within the group have high
grades. The students in the program reported back with 100% satisfaction. Data also

revealed that students in the program scored 10.2% points higher than the class
average on each exam and 14.4% higher on the final.
CHED 531
Acquire the practical skills and knowledge needed for the chemical industry with
an associate's in industrial chemistry technology alongside a bachelor's degree
Kimberly R Johnson1, johnsk33@ferris.edu, Joseph C Christy-Saviano1, B Q
Wierckz1, Tyler Weatherwax1, Pasquale R Di Raddo. (1) Department of Physical
Sciences, Ferris State University, Big Rapids, MI 49307, United States
With an associate's degree in Industrial Chemistry Technology that easily coincides with
any science major, a new graduate has more practical laboratory skills and knowledge
of chemical safety than the average graduate with only a bachelor's. Employers and
graduate recruiters see these students as more resourceful and qualified because of the
extra preparation that this program has to offer. The program focuses on the main
components of working in industry stressing laboratory calculations, safety hazards of
common chemicals and keeping an excellent laboratory notebook. The Chemical
Manufacturing-Analysis class provides the greatest preparation for an upcoming
graduate by replicating an actual work day in industry. It focuses on the preparation and
analysis of various materials by using FT-IR, NMR, Mass Spectrometer and Gas
Chromatography. Students also partake in an ongoing research project by varying
reaction conditions to develop a more efficient reaction pathway of the production of a
dye called dibenzanthrone.
CHED 532
Using computational chemistry in biochemistry: Why did nature not select silicon
for biological molecules?
Blakely Sanders1, bsanders@hawks.huntingdon.edu, Haley Norris1, Chelsea Swords2,
Maureen K. Murphy1, maureenm@huntingdon.edu. (1) Department of Chemistry and
Biochemistry, Huntingdon College, Montgomery, AL 36106, United States (2)
Department of Biology, Huntingdon College, Montgomery, AL 36106, United States
We have used computational chemistry (HyperChem 8.0) to compare minimized
energies, lowest energy conformations, bond angles, and bond lengths in a series of
biologically important molecules including the small peptide hormone oxytocin, glucose,
protoporphyrin IX dimethylester (PPIXDME), tetraphenylporphyrin, ATP, cocaine,
NADH, propofol, and limonene. A comparison of the energies, bond measurements,
and lowest energy conformations of the carbon-based molecules with their silicon
analogs showed unsual structures and energies of the silicon analogs.
CHED 533

Conformational influence of fluorine substitution on peptides derived from amino acids


Alec D. Emerling1, m131992@usna.edu, Gary S. Kedziora2, Joseph J. Urban1. (1)
Chemistry Department, U. S. Naval Academy, Annapolis, MD 21402, United States (2)
High Performance Technologies, Wright Patterson AFB, OH 45433, United States
Fluorine's unique ability to participate in a number of subtle stereoelectronic effects has
prompted its use as a tool to control the conformation of peptide analogs. The
conformational energies of model -amino acid peptides, and their fluorinated analogs,
have been explored using a combination of correlated wave function and density
functional theory calculations. Results from a variety of methods including B97X-D/ccpVTZ, b3lyp/6-311++G**, and M062X/cc-pVTZ are compared to benchmark results from
coupled-cluster calculations (CCSD(T)) employing complete basis set (CBS)
extrapolation methods. The impact of aqueous solvation on the conformational profiles
is also examined via a continuum solvation model. These results contribute to a better
understanding of the impact of selective fluorination on the conformational preferences
of model peptide mimics.
CHED 534
Conformational preferences for C-F bonds adjacent to carbonyls
Eric W. Emerling1, m131998@usna.edu, Gary S. Kedziora2, Joseph J. Urban1. (1)
Chemistry Department, U. S. Naval Academy, Annapolis, MD 21402, United States (2)
High Performance Technologies, Wright Patterson AFB, OH 45433, United States
In compounds containing a fluorine adjacent to a carbonyl, a preference for the
conformation with the C-F bond anti to the C=O bond has been noted. This effect is
particularly pronounced in -fluoroamides, but has been described in other functional
groups as well. The goals of this work are to employ computational chemistry methods
to explore the generality of this effect by examining a variety of functional groups, to
determine if trifluoromethyl groups participate in a similar effect, and to determine the
impact of solvent medium on the effect. Rotational profiles about the C-C bond in
compounds containing X-C-C=O, where X = F, CF3, have been generated at the
B97X-D/cc-pVTZ level of theory. Examples where the carbonyl is part of an aldehyde,
ketone, amide, acid, or ester have been considered. The minima found in the gaseous
phase and in an aqueous environment as described by a continuum solvation model are
compared. The conformational preferences are analyzed in terms of a number of
underlying effects including sterics, electrostatics, and orbital considerations.
CHED 535
Computational analysis of thiolated gold nanoparticles

Morgan R Olsen, molsen@lhup.edu, Kevin Range.Department of Chemistry, Lock


Haven University, Lock Haven, PA 17745, United States
Gold nanoparticles are being studied extensively for their optical, electronic, and
molecular recognition properties. Thiolated gold nanoparticles behave differently than
traditional bulk materials. The goal is to use computational chemistry to see the effect of
putting different terminated ends on thiolated gold nanoparticles.
CHED 536
Effect of dielectric constant on bond critical point descriptors in model nucleotide
dimers
Christian M Posea, cposea@stetson.edu, Harry L Price.Department of Chemistry,
Stetson University, DeLand, Florida 32723, United States
Hydrogen bonding plays an important role in modulating the stability of molecular
complexes. The goal of this investigation is to examine the effect that dielectric constant
has on H-bonds present in adenine-thymine and adenine-uracil dimers. Specifically, we
are interested in determining whether H-bonds in these dimers are equivalent, and how
each responds to changes in dielectric constant. To begin to address these questions
the electron density and laplacian of the electron density at the bond critical point (BCP)
were calculated for geometry-optimized complexes in six media having dielectric
constants ranging from 0 to 78.36 Debye using the Self-Consistent Isodensity Surface
Polarizable Continuum model. Understanding the differential response of these
descriptors to changes in dielectric constant may contribute to a better understanding of
the importance H-bonding has as a modulator of these dynamic associations.
CHED 537
Computational study of selenoproteins involved in the activation of thyroxine.
Zachary B. Gottleib, wdavis@tlu.edu, William M. Davis.Department of Chemistry,
Texas Lutheran University, Seguin, Texas 78155, United States
The understanding of selenoproteins, such as Iodothyronine deiodinase, plays an
important role in the activation and inactivation of thyroxine. While this class of proteins
does contain selenocysteine, a unique feature is the use of a cysteine to cooperatively
bond to selenium while halogen bonding to iodine so that thyroxine can be activated.
This combination occurring in the human body is strange because as calculated by
Debasish Manna the use of two selenium atoms is the most energy efficient way to
remove iodine from thyroxine. This study takes a computational approach using
Gaussian 03 and Spartan to look at the energies of the model complexes to see if this
trend continues with the addition of tellurium to the model complexes, as well as to see
if there are significant energy differences in the complexes depending on which
chalcogen is participating in the halogen bond to iodine. Though the limitations of basis

sets in the Gaussian software and only preliminary analysis through Spartan have
revealed little to the bonding and energy trends of the model complexes.
CHED 538
Correlation between band gap and electronegativity of substituted atoms in the
TiO2 crystalline structure
Andrew J Glaid, glaida@duq.edu, Matthew N Srnec, Jennifer A Aitken, Jeffry D
Madura.Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh,
Pennsylvania 15219, United States
The electronic structure of TiO2 has been extensively studied through a variety of
experimental and computational methods. Its properties range from thin film
photovoltaic cells to optics. TiO2 provides an excellent model to study computationally
due to the wealth of experimental data and its inexpensive computational cost. Our
hypothesis is that the electronegativity of a substituent changes the band gap of
crystalline TiO2. Atoms of different electronegativities were selected for substitution into
the three polymorphic forms of TiO2, which are rutile, anatase, and brookite. Our
computational approach utilizes the linearized augmented plane wave approach of
density functional theory in the WIEN2k computational software, and includes the
incorporation of the modified Becke-Johnson potential, to determine the band gap and
density of states for each case. Initial results showed that there was a positive
correlation between the electronegativity of the substituent and the structure's band gap.
CHED 539
Micellization of small biomolecules: Molecular dynamics simulation
Daniel Daigle, daniel.daigle@selu.edu, Caleb Delaune, caleb.delaune@selu.edu, HyeYoung Kim.Department of Chemistry and Physics, Southeastern Louisiana University,
Hammond, LA 70402, United States
We have performed molecular dynamics simulations using GROMACS to study the
micellization of a newly synthesized amphiphilic antioxidant molecule, Vecar [1]. The
chemical structure of the molecule is composed of a truncated vitamin E and a slightly
modified Carnosine which are, respectively, linked to the opposite ends of a simple
carbon chain of varying numbers of carbon atoms (0 to 18). The force field of this new
molecule is generated from the Automatic Topology Builder. We will report the progress
and results of our computer simulation study. This research is supported by Louisiana
BOR grant (LEQSF(2012-15)-RD-A-19) and by the Louisiana Optical Network Institute
(LONI).
[1] C. Astete, D. S. Meador, D. Spivak, and C. Sabliov, Synthetic Communications, DOI:
10.1080/00397911.2011.632829 (published online in 20 April 2012).

CHED 540
PM3 and PM6 calculations on organometallic dehydrogenation catalysts
Alison Konieczki, amkonieczk@eagles.usi.edu, Lauren Martin, Sarah Schwartz, Jeff
Seyler.Chemistry, Univ of Southern Indiana, Evansville, IN 47712, United States
Semi-empirical methods have been used to investigate the catalytic mechanisms for
Iridium
pincer dehydrogenation catalysts. The intent of the current study is to compare the
results of past PM3 calculations (Spartan '10, Wavefunction, Inc.) with results using the
newer PM6 level of theory. For this report, the pincer ligand included the isopropylsubstituted PCP systems, and cyclooctane was used as the organic substrate in the
formation of H2 and cyclooctene. Geometry optimizations with PM6 have proven to be
problematic with these organometallic systems. In cases where PM6 optimization failed
to generate appropriate geometries, single point calculations were performed using the
PM3 optimized geometries. Transition states for oxidative addition of cyclooctane and
beta elimination in cyclooctyl complexes were obtained with both PM3 and PM6. This
presentation will provide some mechanistic details in the catalytic cycle following these
semi-empirical calculations with the Iridium pincer complexes.
CHED 541
Computer simulations of anion adsorption to metal organic frameworks
Jennifer N. Loftin, jloftin@missouriwestern.edu, Jordan M. Lovejoy,
jlovejoy1@missouriwestern.edu, Jeffrey N. Woodford.Department of Chemistry,
Missouri Western State University, Saint Joseph, Missouri 64507, United States
A new class of materials, metal organic frameworks (MOFs), have potential applications
in many areas, including catalysis, gas storage, drug delivery, biomedical imaging, and
chemical separations. MOFs can be designed for specific applications by joining certain
metals with organic linkers. We are investigating the adsorption of selected anions, such
as nitrate, perchlorate and chloride, with cationic MOFs. Specifically, we will study Cu(II)
and Al(III) MOFs because they have been shown to exhibit selective anion exchange
and have stability in aqueous solution. Our investigation is composed of two parts. The
first part is comprised of ab initio calculations to find interaction energies between
anions and MOF structural binding units (SBUs). The second part involves performing
molecular dynamics simulations to compare the equilibrium distribution of anions in the
MOF pores compared to bulk solvent. Results will be presented based on these
simulations.
CHED 542
Catalytic effect of Cu modified FAU zeolite on nitrous oxide

A. William Barber, barberan@grinnell.edu, Joo Young Yim, yimjooyo@grinnell.edu,


Heriberto Hernandez.Department of Chemistry, Grinnell College, Grinnell, IA 50112,
United States
We investigated the absorption of N2O on a Cu-FAU zeolite using density functional
theory. Computations were performed with a two layer ONIOM method. For the high
layer, we used B3LYP/6-31+G(d) level of theory, and for the lower layer we used
Molecular Mechanics (MM) employing the Universal Force Field (UFF). The results
showed that a covalent bond formed between O and Cu upon absorption, with binding
energy of 154.9 kJmol-1. Furthermore, the N-O bond elongated by 15.5% of its original
bond length suggesting that N2O dissociates to produce N2(g) upon interaction with a
Cu-FAU zeolite.
CHED 543
Investigating the sticking of hydrogen on graphene
Andrew D. Geragotelis1, ad25gera@siena.edu, Dennis P. Clougherty2. (1)
Department of Chemistry, Siena College, Loudonville, New York 12211, United
States (2) Department of Physics, University of Vermont, Burlington, VT 05405, United
States
Theoretical physics at low temperatures allows us to learn about the fundamental
properties of materials at nanoscale dimensions. This work focuses on the interaction
between a hydrogen atom and a graphene sheet. We calculated the physisorption rate
of atomic hydrogen at normal incidence onto graphene using Fermi's Golden Rule. The
calculation shows a bound state energy of -24.9 meV. Over the range of incident
energies considered (1-10 meV), we find that the sticking probability decreases as the
incident energy of the hydrogen atom is increased. The work was performed as part of
the REU on Complex Materials at the University of Vermont under the supervision of
Dennis Clougherty.
CHED 544
Electronic structure modeling to explore the existence of pnictide analogs to HCN
species
Cameron P Glagola, cameron.glagola@gmail.com, Deborah Sunderland, Robbie J
Iuliucci.Department of Chemistry, Washington and Jefferson College, Washington, PA
15301, United States
Pnictides are chemical compounds that contain Group 15 elements. Currently, synthetic
pathways are known for the compounds HCN and HCP; however, the heavier Group 15
analogs (namely HCAs, HCSb, and HCBi) have yet to be synthesized. The theoretical
existence of these molecules was explored via a Gaussian quantum chemistry

composite method as well as frequency calculations in order to predict their


thermodynamic properties, their molecular orbitals, and to probe bond length trends.
CHED 545
Cycloadditon reactions of sulfinyl carbenes with alkenes and alkynes
Danielle J Turnquest2, ffreeman@uci.edu, Fillmore Freeman1. (1) Department of
Chemistry, University of California, Irvine, Irvine, CA 92651, United States (2)
Department of Chemistry, Florida Memorial University, Miami Gardens, FL 33054,
United States
Moeller-Plesset perturbation theory (MP2) and the hybrid density functionals B3LYP,
B3PW91, and PBE1PBE with the 6-311+G(d,p) basis set and also CCSD(T) and
QCISD(T) with the cc-pVTZ and cc-pVQZ basis sets have been used to study the
structures of sulfinyl carbenes and the mechanisms of their cycloaddition reactions to
alkenes to form cyclopropanes and to alkynes to form cyclopropenes. Electron donation
of the lone pair electrons on sulfur into the vacant p orbital of the singlet carbene serves
to stabilize it. In addition to the transition states, the dipole moments, atomic charges,
singlet-triplet gaps, and vibrational frequencies of the sulfinyl carbenes were also
studied.
CHED 546
Role of tyrosine O-sulfation in the CXCR4-SDF-1 chemokine receptor complex
Sara Snow, c.sara.snow@gmail.com, Chaya Rapp.Department of Chemistry and
Biochemistry, Stern College for Women, New York, New York 10016, United States
The CXCR4-SDF-1 chemokine receptor complex is involved in both normal and
pathological functions in the body, including cancer metastasis. The CXCR4 receptor is
post-translationally modified by tyrosine sulfation at three sites on its N terminus, and
this modification is required for binding to the SDF-1 chemokine. To study the role of
tyrosine sulfation in the structure and dynamics of the CXCR4-SDF-1 complex, we
conducted molecular dynamics simulations on experimentally determined complexes of
CXCR4-SDF-1 that were unsulfated, partially sulfated, and fully sulfated. A comparison
of hydrogen bonding and torsional motions in the simulation trajectories shows that
sulfation plays a role in dimer stabilization, and that each additional sulfation site adds
to the stability of the dimeric complex. It is hoped that this work will contribute to
therapeutic efforts which target sulfated systems.
CHED 547
Configurational dependence of temperature in the potential energy landscape
ensemble

Matthew Fritz, mpfritz88@gmail.com, Jeb Kegerreis.Department of Chemistry,


Shippensburg University, Shippensburg, PA 17257, United States
Low cost computational methods were employed to evaluate the configurational
dependence of temperature in the potential energy landscape ensemble for glassy
atomic systems with o-terphenyl (OTP) as the model. In addition to the global minimal
configuration, local minima were explored and each produced a significantly different
temperature and landscape energy implying another ensemble may be more descriptive
of glassy atomic systems.
CHED 548
Comparative analysis of symmetry-adapted perturbation theory
Alden Grant Ryno, agryno4915@northgeorgia.edu, Trent Parker, C. David
Sherrill.Department of Chemistry and Biochemistry, Georgia Institute of Technology,
Atlanta, Georgia 30332-0400, United States
Noncovalent interaction are prevalent in chemical systems including protein folding,
organic crystals, nucleic acids, and the formation of materials. These interactions are
quantitatively and qualitatively studied by employing computationally expensive
wavefunction-based quantum chemical methods. One method in particular, SymmetryAdapted Perturbation Theory(SAPT), allows the interaction energy to be computed
along with the electrostatic, exchange, induction, and dispersion energies. Here, various
levels of SAPT were tested using the S22, HSG, HBC6, and NBC10 databases in order
to find a lower level of SAPT that produced accurate results at a low computational cost.
Four levels of SAPT and 10 Basis sets were used in this study with the best overall test
pairs being SAPT2+/aDZ and SAPT2+(3)/aDZ. However, since both SAPT2+ and
SAPT2+(3) are higher levels of theory, they are quite costly. For both high accuracy and
low computational expense, the SAPT0/jaDZ test pair is an exceptional match.
SAPT0/jaDZ produced a mean unsigned error of less than 0.5 kcal mol-1 at roughly onehalf and one-quarter the computational times for SAPT2+/aDZ and SAPT2+(3)/aDZ,
respectively.
CHED 549
Beyond octanitrocubane: A theoretical C-8 octanitro compound having an oxygen
balance of zero
Jesse L Hansen, hansejao@uni.edu, John A Bumpus.Department of Chemistry and
Biochemistry, University of Northern Iowa, Cedar Falls, IA 50613, United States
Octanitrocubane is a relatively new high energy density material (HEDM) that has
potential use as a high explosive. However, its large scale use is prevented because of
its high production cost. Our laboratory is interested in the identification and
computational characterization of other C-8 octanitro compounds as targets for possible

synthesis and development as high explosives. We characterized


octanitrotetracyclo[4.2.0.02,5.03,8]oct-1-ene. This compound is unique with regard to
other theoretical C8 octanitro compounds that we have studied in that, like
octanitrocubane, it has an oxygen balance of zero. In addition to oxygen balance,
several other parameters (power index, explosive velocity and detonation pressure)
indicate that this compound would be at least as effective as octanitrocubane as a high
explosive.
CHED 550
Effects of tyrosine O-sulfation on binding affinity in CXCR4-SDF-1 complexes
Talya S. Laufer, tslaufer@yu.edu, Chaya Rapp.Department of Chemistry and
Biochemistry, Stern College for Women, Yeshiva University, New York, New York
10016, United States
Certain secreted proteins in biological systems undergo the post-translational
modification of tyrosine O-sulfation, wherein a number of Tyr residues are sulfated at
their hydroxyl groups, forming what is referred to as a Tys residue. The current study
investigates the effects of tyrosine sulfation on the strength of protein-protein
interactions, as attested to by the binding energies of the CXCR4 chemokine receptor in
complex with its SDF-1 chemokine ligand. The Protein Databank includes three distinct
dimeric CXCR4-SDF-1 structural complexes: 2k04, 2k03, and 2k05. 2k04 is the unsulfated protein complex; 2k03 is sulfated once in each monomer on residue Tyr21;
2k05 is sulfated on Tyr7, Tyr12, and Tyr21 in both monomers. A program called APBS
was used to determine the binding energies of the dimeric complexes and of their
corresponding monomers. APBS utilizes the Poisson-Boltzman equation to incorporate
solvation free energies in the calculation of binding energies. Results of APBS
calculations showed that as the degree of tyrosine sulfation increases, the binding
energies of the complexes become more favorable, with the most significant decrease
in binding energy occurring between the partially sulfated (2k03) and fully sulfated
(2k05) dimeric complexes. The increased stabilization of the dimeric complexes as
compared to the monomeric complexes is a result of interactions occurring across the
dimer interface, i.e. between each sulfated CXCR4 chain and both SDF-1 ligands. This
indicates that sulfation serves both to enhance binding affinity between CXCR4 and
SDF-1, and to stabilize the dimeric state of the CXCR4-SDF-1 complex.
CHED 551
Modeling and understanding of solvent effects on 13C NMR spectroscopy
John P Siller, jsiller@ycp.edu, James B Foresman.Department of Physical Sciences,
York College of Pennsylvania, York, Pennsylvania 17403, United States
Differences arise in Nuclear Magnetic Resonance (NMR) spectroscopy when analyzing
the same solute with different solvents. These solvent effects shift the NMR spectra in

different ways. Electronic structure codes such as Gaussian 09 can represent solvent
effects using a continuum model and also by including specific solvent molecules in the
calculation of 13C chemical shifts, but current methods are limited and do not precisely
match experimental data. The objective of this study is to close the gap between
experimental and calculated spectral data by determining the factors that affect this data
and better represent these factors with computational techniques. This study attempts
to discern what amount of error is due to neglect of solvent and what error is due to the
theoretical model.
CHED 552
Evaluating HADDOCK's ability to use experimental data in docking a proteinligand complex
Tracy L Wormwood, tracywormwood@gmail.com, Jeffrey S Grinstead.Department of
Chemistry, University of Puget Sound, Tacoma, Washington 98416, United States
With the advent of docking systems for modeling the interactions of proteins,
HADDOCK is a docking tool powerful in its abilities to use experimental data and allow
for protein flexibility in docking of proteins with other biomolecules including ligands. The
present research evaluates the influence of real experimental data on the docking of a
protein-ligand interaction between protein tyrosine phosphatase 1b (PTP1b) and one of
its chemical inhibitors: 5-iodo-2-(oxalylamino) benzoic acid. Either NMR chemical shift
perturbation data, or known binding-site residues were used to drive consequent
docking. The effect of different starting protein conformations was measured. Success
of each docking was evaluated by comparing the HADDOCK score to ligand-RMSD and
fraction of native protein-ligand contacts.
CHED 553
Benchmarking screened hybrid and "Rung 3.5" density functionals for transition
metal thermochemistry
Katelyn E. Poole1,2, katelynpoole@tcu.edu, Marie L. Laury2, Angela K. Wilson2,
Benjamin G. Janesko1. (1) Department of Chemistry, Texas Christian University, Fort
Worth, TX 76129, United States (2) Department of Chemistry, University of North
Texas, Denton, TX 76203, United States
Accurate, computationally tractable thermochemical predictions for transition metal (TM)
complexes remain an important challenge in electronic structure theory. Density
functional theory (DFT) is widely applied to TM complexes, and hybrid DFT methods
(including the widely used B3LYP) can provide reasonable accuracy for many TM
properties at modest computational cost. New screened hybrid and Rung 3.5 DFT
functionals are designed to incorporate important aspects of hybrid DFT at reduced
computational cost. We benchmark these functionals against a large data set of
accurate experimental data for 3d TM complexes (J. Chem. Theory Comput. 2012, 116,

870-885). The predicted enthalpies of formation of the 3d TM molecules in the test set
suggest that both classes of functionals can provide reasonable accuracy for TM
thermochemistry.
CHED 554
Computational studies of transition states in bicyclic intermediates
Phillip Esempio, phillip.esempio@wilkes.edu, Hernando Trujillo.Department of
Chemistry, Wilkes University, Wilkes-Barre, PA 18766, United States
During 1,3 dipolar reactions of unsymmetrical mesoionic Mnchnones (1) to substituted
nitrostyrenes (2), bicyclic intermediates (3) are formed, which then decompose to two
observed products (4, 5), the ratio of which is contrary to what would be expected based
on known electrostatics. As part of a larger study of this set of reactions, a
computational study of possible transition states, both to and from the intermediate, was
conducted in order to clarify the mechanism by which this reaction occurs, and shed
light on the unexpected ratio of products.

CHED 555
Predicted structures of aggregates of the human gamma-D crystallin protein
found in cataracts
Sarah A. Richards, richardss@duq.edu, Bao-Linh Nguyen, Ralph A.
Wheeler.Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh,
PA 15282, United States
Human age-onset cataracts are a disease caused by the aggregation of gamma-D
crystallin, a structural protein in the lens of the eye. The resulting aggregation causes
progressive blindness. The purpose of this research is to determine the causes of these
aggregates and their resulting structures. It is hypothesized that a hydrophobic core,
five contiguous hydrophobic residues, is critical for the aggregation of gamma-D
crystallin. Initial molecular dynamics simulations of small peptides containing a
hydrophobic core of gamma-D crystallin were performed to examine possible aggregate
structures. Accurate structures of the aggregates will provide a basis for the long-term
goal of designing drugs that will inhibit these aggregations to potentially prevent or treat
cataracts.
CHED 556
Origin of enantioselectivity in helical dual hydrogen-bonding catalysts

Ulises Rangel, urangel@neo.tamu.edu, Steven E. Wheeler.Chemistry, Texas A&M


University, College Station, TX 77840, United States
Stereoselective reactions play an important role in chemistry, especially in the synthesis
of pharmaceutical compounds. For this purpose, there are presently insufficient
methods for asymmetric catalysis without the use of toxic and costly transition-metal
based compounds. Here we report a computational study of the enantioselective
addition of 4,7-dihydroindoles to trans-nitroalkenes catalyzed by a novel dual hydrogenbonding helical catalyst recently developed by Takenaka and co-workers [J. Am. Chem.
Soc. 2010, 132, 4536]. Through the use of density functional theory (DFT) methods at
the B97-D/TZV(2d,2p) level, the mechanistic pathways for this reaction were explored to
identify the key features of the transition state (TS). It is shown that the helical structure
of the catalyst induces a stepwise mechanism through non-covalent interactions
resulting in kinetic discrimination and high enantioselectivity. Ongoing studies involve
application of the distortion-interaction model to quantify the role of these non-covalent
interactions in the enantioselectivity. Understanding the salient features of this reaction
is essential for the rational design of improved organocatalysts that utilize similar
hydrogen-bonding interactions.
CHED 557
Binding of heparin oligosaccharides to proteins: Validating a computational
methodology
Cynthia B. Lombardo1, clombardo@drury.edu, Christos Deligkaris2. (1) Hoffman
Department of Chemistry, Drury University, Springfield, Missouri 65802, United
States (2) Department of Physics, Drury University, Springfield, Missouri 65802, United
States
Heparin glycosaminoglycans play an important role in many biological mechanisms
such as metabolism, growth signaling, and metastasis. An understanding of the binding
of heparin oligosaccharides to various protein receptors is impeded by the difficult
process of fractionation and crystallization as well as by cost. Because of this, a
computational method is highly desirable. To validate our computational method, we
minimize a free energy function with the aid of a Lamarckian Genetic Algorithm (LGA) to
compute the binding site of a heparin tetramer on a basic fibroblast growth factor (PDB
code 1BFB) as well as other systems for which the binding site is known from crystal
structures. The free energy function includes a van der Waals term, an electrostatic
term with a distance-dependent dielectric function, a directional hydrogen bonding term,
a solvation term, and a torsional term. We also systematically vary LGA parameters to
achieve the best compromise between accuracy and efficiency.
CHED 558
1,3-Dipolar cycloadditions of azomethine ylides: Prospects for covalent
functionalization of carbon nanotubes

Jacqueline M Maguire, jackie_maguire@yahoo.com, Jacob W. G. Bloom, Steven E


Wheeler.Department of Chemistry, Texas A&M University, College Station, TX 77843,
United States
The properties of single-wall carbon nanotubes (SWNTs) have become a prevalent
topic of study in the scientific community in recent years. Covalent functionalization is
used to tune their physical and electronic properties for applications in energy storage
and optical devices, as well potentially separating metallic from semiconducting
SWNTs. We investigated the 1,3-dipolar cycloaddition reactions of azomethine ylides
with SWNTs using computational chemistry. Focal point analyses of the 1,3-dipolar
cycloaddition reactions of the azomethine ylide with ethylene and benzene were
compared with density functional theory (DFT) for use with larger systems
[CCSD(T)/CBS vs. B3LYP-D/6-31G(d) and B97-D/TZV(2d,2p)]. These functionals were
used as a benchmark for the same reaction with (6,6) SWNTs for two-layered ONIOM
method geometries [B3LYP-D/6-31G(d) vs. B3LYP-D/6-31G(d)//B3LYP/6-31G(d):UFF
and B97-D/TZV(2d,2p) vs. B97-D/TZV(2d,2p)// B97-D/TZV(2d,2p):UFF]. Future work
will allow this method to be applied to larger systems, and adding substituents onto the
ylide could alter the reactivity of the systems through stacking interactions.
CHED 559
Efficacy of transition metals as Sonogashira co-catalysts: Computation and
experiment
Mercedes S. Black, Talia M. Fanelli, Alexis C. Konja, Mariam A. Saco, Michelle M.
Smith, Ciara J. Viola, Jenna L. Wonsowicz, Matthew J. Mio, miomj@udmercy.edu,
Jonathan E. Stevens.Chemistry and Biochemistry, University of Detroit Mercy, Detroit,
MI 48221-3038, United States
Ab initio molecular orbital and density functional calculations optimize the structures of
complexes of acetylene to selected transition metal cations. These computations also
determine the deprotonation energy of these complexes, and provide predictions about
the efficacy of these cations as Sonagashira co-catalysts. These predictions are
compared to the quantitative yields of synthetic attempts which implement these ions in
the co-catalyst role. Correlation is observed between the theoretically-predicted
acetylene complex energies and the utility of the transition metal co-catalysts as
measured by percent yields in a common Sonogashira transformation.
CHED 560
Geometry optimizations with effective fragment potentials
Anthony J. Burand Jr., tony.burand@gmail.com, Andreas V. Copan,
avcopan@gmail.com, Rollin A. King.Department of Chemistry, Bethel University, St.
Paul, Minnesota 55112, United States

The effective fragment potential (EFP) method models discrete solvent molecules
according to their electrostatic, polarization, dispersion, exchange-repulsion, and charge
transfer effects, allowing for computational analysis of systems in a solvent environment
within a reasonable time-frame. This project aims to integrate EFP with the optimizer of
PSI4, an open source, ab initio quantum chemistry program. Implemented algorithms
include GS2 (2nd order Gonzalez-Schlegel) reaction-path-following, RFO and P-RFO
(partitioned rational function optimization), Newton-Raphson optimization, and steepestdescent minimization. Model systems used for comparison to the literature include
water dimer and water-formamide.
CHED 561
Molecular docking studies of novel flavonoid derivatives as acetylcholinesterase
inhibitors
Olivia M Newman, olivia.newman@bobcats.gcsu.edu, Chavonda J Mills.Department of
Chemistry, Physics, & Astronomy, Georgia College, Milledgeville, GA 31060, United
States
Studies show that one of the many factors contributing to Alzheimer's disease is the
hydrolysis of acetylcholine (ACh) from the enzyme acetylcholinesterase (AChE).
Research has also found that AChE inhibitors decrease the rate at which ACh is
metabolized, therefore increasing the concentration of ACh in the brain. Thus, the
development of AChE inhibitors for the treatment of Alzheimer's disease is essential.
The proposed research presents docking studies of novel flavonoid derivatives at the
AChE active site. Autodock 4.0 as well as Autodock Vina were used to determine
binding free energy and inhibitory concentration (IC50) values were calculated. The
results will facilitate the design of novel flavonoid derivatives as AChE inhibitors.
CHED 562
Computational modeling of dietary dibenzoylmethane for targeting GR binding
sites in hormone refractory prostate cancer
Lydia A Ruffner, lruffner@scmail.spelman.edu, Leyte Winfield, Kimberly M
Jackson.Department of Chemistry, Spelman College, Atlanta, GA 30314, United States
Prostate cancer continues to pose a public health challenge to the United States. It's the
most commonly diagnosed cancer and second leading cause of cancer related deaths
in U.S. males with approximately 240,000 new cases and 34,000 deaths in 2011.
Initially, prostate cancer begins as an androgen-dependent tumor. Over time, prostate
cancer eventually progresses or emerges to an androgen independent or refractory
state for which there is no effective treatment. Small molecules such as
dibenzoylmethane (DBM) which specifically target the glucocorticoid receptor (GR)
signaling pathway may provide an effective treatment for hormone refractory prostate
cancer. Computational and modeling data suggest that DBM interacts within different

locations on the GR. Molecular models were constructed based on the crystal structure
of human GR-LBD in the complex of a glucocorticoid (GC) ligand using the Molecular
Operating Environment (MOE). Models were obtained from the Research Collaboratory
for Structural Bioinformatics Protein Data Bank (RSCB PDB). Alternate binding sites for
DBM based on DBM conformation within the GR-LBD binding pocket will be explored
using the docking tool in the MOE software. Protein alignment will be utilized to
compare the conformation of GR-LBD in complex with DBM and the conformation of the
protein when a GC is bound. Binding affinities and conformation energies will be
calculated for each ligand-protein complex for overall good fit. The amino acid sequence
of the DBM-GR binding site will be determined using the sequence editor tool in MOE.
This will provide information on changes in protein conformation and ligand affinity that
occur in the presence of DBM.
CHED 563
Global optimization of carbon and boron nitride clusters using a genetic
algorithm
Hallie Harbison, hharbison1@sycamores.indstate.edu, Eric D Glendening.Department
of Chemistry and Physics, Indiana State University, Terre Haute, IN 47809, United
States
A genetic algorithm is a global optimization method that mimics the natural selection
processes of evolution. Members of a population mate to form offspring which,
according to their fitness, are either discarded or join the population. Mutations
occasionally occur, and the resulting mutant offspring can potentially join the population
too, whether they are fit or not. We have implemented a genetic algorithm that can be
interfaced to Gaussian-09, GAMESS, or MOPAC9 to determine the geometry of a
cluster of atoms corresponding to the global energy minimum. The algorithm uses a
combination of mating, permutation, and mutation to maintain a population of candidate
cluster geometries. Test cases reveal that the population tends to converge on the
global energy minimum. We report results from semi-empirical and density functional
calculations on small carbon and boron nitride clusters.
CHED 564
Sulfur dioxide adsorption at surfaces of ionic aqueous solutions
Omar Kyle Hite2, hite4229@pacificu.edu, Geraldine Richmond1, Kevin Johnson2. (1)
Materials Science Institute, University of Oregon, Eugene, OR 97403, United States (2)
Chemistry, Pacific University, Forest Grove, OR 97116, United States
Sulfur dioxide is a major atmospheric component and is introduced into the environment
both naturally and industrially. However, under certain conditions, sulfur dioxide can
cause acid rain and cloud nucleation. Therefore, it is imperative to understand how
sulfur dioxide adsorbs onto aqueous surfaces at the molecular level and in particular,

ionic aqueous solutions. This adsorption process was modeled using classical
molecular dynamics, which provides a detailed picture of the adsorption process. From
the simulation data we were able to perform statistical analysis to determine interfacial
density and molecular orientation for both water and sulfur dioxide. It was found that
relatively high concentrations of ions in the aqueous solution hinder the sulfur dioxide's
ability to adsorb onto surface which decreases the solubility of the sulfur dioxide.
CHED 565
Resonance-assisted hydrogen bonding (RAHB) in carboxyphosphate by
computed 31P NMR shielding constants and shifts
Sarah E. Kochanek1, kochaneks@duq.edu, Teresa M. Dierks1, Steven M. Firestine2,
Jeffrey D. Evanseck1. (1) Department of Chemistry and Biochemistry, Duquesne
University, Pittsburgh, Pennsylvania 15282, United States (2) College of Pharmacy and
Health Sciences, Wayne State University, Detroit, Michigan 48201, United States
Resonance-assisted hydrogen bonding (RAHB) is a controversial phenomenon that
describes flow of charge and -system electrons, which can potentially modulate the
strength of an intramolecular hydrogen bond. RAHB was investigated as a possible
explanation for the unusually high stability (+11 kcal/mol) of the pseudo-chair
conformation of dianionic carboxyphosphate. Using Truhlar's Minnesota M06-2X
functional and Dunning's aug-cc-pVnZ (n=D,T,Q,5) basis sets, the 31P NMR shielding
constants and chemical shifts have been calculated and compared to the analogous
values for monohydrogen phosphate. 31P NMR properties were calculated for nine
phosphorus systems with known experimental values with phosphoric acid and
phosphine used as the reference systems. The calibration is used to validate the
differences between carboxyphosphate's and hydrogen phosphate's chemical shifts.
The computed difference of carboxyphosphate shifts, nucleus-independent chemical
shifts (NICS) and relation to RAHB will be discussed as an explanation for the increased
stability of dianionic carboxyphosphate.
CHED 566
Hydrogen bonding in substituted benzoates
Damen R Gee, Dgee2@lhup.edu, Kevin Range.Department of Chemistry, Lock Haven
University of Pennsylvania, Lock Haven, Pennsylvania 17745, United States
The objective of this research is to determine whether or not there is hydrogen bonding
in 5-bromo-2-(bromomethyl)-benzoic acid, ethyl ester (CAS Registry Number: 95074184-1). Research has shown the possibility of an intramolecular hydrogen bond between
a bromomethyl hydrogen and an ester oxygen. Density functional theory calculations
were used to attempt to verify the above hypothesis. The 5-bromo-2-(bromomethyl)benzoic acid, ethyl ester was not the only molecule studied, 5-bromo-2-(methyl)-benzoic
acid, ethyl ester, water, and water dimers were also observed to better understand the

possibility/characteristics of hydrogen bonding in molecules that are known to have


these bonds or the possibility.
CHED 567
DFT study of the mechanism of the photo-oxidation of dihydrobiopterin in
aqueous media
Crissie Vandehoef, christopher.martin@lamar.edu, Christopher B. Martin.Department
of Chemistry & Biochemistry, Lamar University, Beaumont, TX 77710, United States
Dihydrobiopterin (H2Bip) and biopterin (Bip) are two molecules in the pterin family that
accumulate in the white patches of the skin in patients with the disease vitilgo. Using
HPLC, fluormetric, and other techniques, Thomas and co-workers proposed an elevenstep mechanism by which H2Bip is photo-oxidized to Bip in aqueous media.
(Photochemistry of Dihydrobiopterin in Aqueous Solution, Thomas et.al. Org. Biomol.
Chem., 2010 , 8, 800-810.) In the present work, we present the results of a collaboration
with the above mentioned authors where the proposed mechanism is investigated using
Density Functional Theory (DFT) calculations. The calculations explore the various
photochemical spin states (excited-singlet and -triplet states), electron-transfer
reactions, and radical reactions using the PCM (Polarizable Continuum Model) for
solvation using water as the dielectric constant for all species. These thermodynamic
results, and their known limitations, are used to support the feasibility of the literature
proposed mechanism.
CHED 568
Hydration of a coarse-grained methyl-ion solute
Marcus E Parry, mep0601@westminstercollege.edu, Tricia D. Shepherd.Department of
Chemistry, Westminster College, Salt Lake City, Utah 84105, United States
Studying toxic methyl mercury in aqueous environments is essential to understanding
mechanisms of food chain contamination. While there is much research investigating
solute-solvent interactions of aqueous metal ions or nonpolar molecules in water, we
are interested in the solution properties of a simple methyl-ion model developed to
mimic the behavior of aqueous methyl mercury. Coarse-grained parameters for several
hydrophilic ion-like particles without charge are presented representing metal ions Zn2+,
Hg2+, Na+, and K+. Despite the use of only short-ranged interactions, the coarse-grained
ion models accurately reproduce the solvation structure of each ion in reference to both
experimental observation and atomistic molecular dynamics simulations. Molecular
dynamics simulations of these hydrophilic ion particles bonded to a single hydrophobic
methane-like particle in water surrounded by a vacuum were performed. Methyl-zinc
and methyl-mercury models were found to exhibit more hydrophobic character than
smaller charge methyl-potassium and methyl-sodium for a range of bond lengths.

CHED 569
Computational study of complexes between mercury (II) and tetra-peptides with
N- and C-terminal cysteine amino acids
Diamond Nichols, merlejo@wssu.edu, Joshua Watts, John K Merle.Department of
Chemistry, Winston Salem State University, Winston Salem, North Carolina 27110,
United States
Clinical chelation therapy compounds for mercury poisoning usually contain thiol
moieties. Current chelation therapies administer dimercaptosuccinic acid (DMSA) and
dimercaptopropanesulfonic acid (DMPS) as Hg2+ chelators. To improve upon current
therapies, this present study seeks to better understand the complexation interactions of
mercury (II) with cysteine (-CH2-SH side chain) containing tetra-peptides. Density
functional theory (DFT) calculations using the M06-2X/6-31G(d,p)/SDD level of theory
have been conducted to investigate structural and thermodynamic aspects of the
interactions of mercury (II) with these peptide ligands. To improve complexation energy
values MP2/6-311G**(cc-pVDZ-PP) single-point energies are determined on all
structures. All calculations are performed using the SMD solvation model. To optimize
complexation between mercury (II) and the tetra-peptides, the two internal amino acids
are varied. The primary focus here is placed on the tetra-peptides cys-gly-gly-cys, cysglu-gly-cys, cys-gly-glu-cys, cys-glu-glu-cys, including their stereoisomers.
CHED 570
Computational analysis of bryostatin 1: Difficulties, conformational energies, and
analog reactivity differences
Joshua Dahlke, JRDAHLKE@fortlewis.edu, Ron C. Estler.Department of Chemistry,
Fort Lewis College, Durango, CO 81301, United States
Bryostatin 1 is a natural occurring product containing 47 carbon, 17 oxygen, and 68
hydrogen atoms. It is extracted from Bugula neritina, a species of bryozoans and has
been found to be a modulator of protein kinase C. This discovery has lead to the
compound being seen as a possible anti-cancer and memory-enhancing agent. Several
analogs of Bryostatin 1 have been synthesized since its discovery. These analogs have
not been as active medicinally. Using a variety of computational tools, the
conformationally difficult portion of Bryostatin 1 was analyzed to explore reasons for its
synthetic challenge. A variety of its analogs were similarly analyzed and these
differences are presented.
CHED 571
Formation of stripe liquid crystal phases in water mixtures

Rita A Okumu, rao0409@westminstercollege.edu.Department of Chemistry,


Westminster College, Salt Lake, Utah 84105, United States
Liquid crystals have widespread applications in nano-optical and nano-electrical
technology. We report simulations of water and a mildly hydrophilic solute that produce
stripe liquid crystal phases. Using classical Molecular Dynamics simulations with the
mW model of water, we determined the range of stability of this liquid crystal phase and
quantified the ratio of water to solute in the stripes as a function of the strength of the
water-solute attraction. In addition we investigated the effect of temperature and excess
solute and water on these structures. These preliminary results contribute towards an
understanding of the mechanism behind the formation of this novel phase of water.
CHED 572
Computational study of substituted anilines and indoles: The effect of
intramolecular hydrogen bonding on N-H stretching frequencies
Shamus Driver, shamusdriver@gmail.com, Jason W Ribblett.Department of Chemistry,
Ball State University, Muncie, IN 47306, United States
Through-bond and through-space interactions were examined on aniline and indole. On
aniline, different groups were placed in the ortho, meta, and para positions with respect
to the amino group. On indole, the substituents were placed in different positions of the
six-member and five-member rings. Substituents included functional groups which
contained a highly electronegative atom (F,O,N) capable of forming a hydrogen bond
with an amino hydrogen atom as well as functional groups incapable of forming
hydrogen bonds with the amino group. DFT and MP2 methods were used to determine
ground state optimized geometries for multiple conformations of all compounds studied.
Correlations found between the N-H stretching frequencies with the C-N bond length in
the meta and para substituted anilines were not present in the ortho substituted anilines.
A similar result was found in the substituted indoles.
CHED 573
Alkanethiols self-assembled monolayers on a GaAs(100) surface
Alyssa S Manz, manzalys@grinnell.edu, Heriberto Hernandez.Department of
Chemistry, Grinnell College, Grinnell, IA 50112, United States
A computational study of a pentanethiol self-assembled monolayer adsorbed on a
GaAs(100) surface was performed using the ONIOM method. The interaction of the
pentanethiol and an embed cluster on the surface was optimized using the B3LYP/631+G(d) level of theory. The rest of the surface was model using a universal force field.
On smaller clusters, the pentanethiol adsorbed slightly parallel to the surface, whereas
on larger clusters with several thiols present, the adsorption was almost perpendicular.

Results from this study showed that a large surface and multiple thiols on the surface
are indeed necessary for an accurate description of a self-assembled monolayer.
CHED 574
Conformational analysis of cyclohexanone ring systems by DFT and other
computational methods
Francisco Jimenez, fjimenez1@mail.csuchico.edu, Randy M Miller, David B
Ball.Department of Chemistry and Biochemistry, California State University, Chico,
Chico, CA 95929, United States
The chair-chair interconversion of cyclohexane has been well characterized using a
variety of experimental and computational techniques. Less well-studied are the
cyclohexanone systems of increasing complexity including 3,3,5,5tetramethylcyclohexanone and 2-bromo-3,3,5,5-tetramethylcyclohexanone. The
potential energy surfaces, including intermediates an transition states, have been fully
described using PM3, HF, DFT, MP2 and MP4 theories. In general, functionalizing
cyclohexane to make the cyclohexanone and tetramethylated versions leads to more
intermediates, a more complex energy landscape and lower transition state barriers.
CHED 575
Engineering novel self-assembling peptide materials by studying diphenylalanine
Carolyn Mills, carolyn.elaine.mills@gmail.com, Joohyun Jeon, M. Scott
Shell.Department of Chemical Engineering, University of California, Santa Barbara,
Goleta, CA 93117, United States
The recently-discovered diphenylalanine peptide (FF) self-assembles into nanotubes
with remarkable properties: exceptional stability to heat and solvents, and high
mechanical strength. While experiments have investigated the properties and
applications of FF nanotubes, little is known about their self-assembly mechanism or the
intermolecular interactions underlying their stability.
Here, we use atomic-resolution simulations of FF peptides to gain insight into the early
stages of oligomerization and the driving forces for assembly. Specifically, we use
molecular dynamics simulations to characterize oligomers of FF peptides in aqueous
solution. We measure contacts, dihedral angles, and structures, and compare to the
putative experimental x-ray crystal structure of FF nanotubes. Our results suggest that
both hydrophobic interactions between the phenylalanine side-chains and electrostatic
interactions between their termini drive assembly of small oligomers. Ultimately, a
deeper understanding of FF nanotube assembly should facilitate the functionalization
and engineering of new synthetic peptide-based materials.
CHED 576

Discussion on the pentacoordinate complexes in VSEPR


Chenxi Zhang, chenxizhang2009@gmail.com, Xuefeng Wang.Department of
Chemistry, Tongji University, Shanghai, Shanghai 200092, China
The Valence Shell Electron Pair Repulsion (VSEPR) model predicts the arrangement of
five electron pairs is the trigonal bipyramid instead of the square pyramid in order to
minimize their interactions. However, in our calculation, B3LYP/6-311++G(d,p) level of
DFT was employed to comprehensively elucidate TaH5 prefers to the square pyramid
arrangement but TaF5 has the trigonal bipyramid structure as VSEPR predicted.
Moreover, there would be a greater repulsion such as lone pairs, less electronegative
ligands and double bonds on the axial pairs than on the equatorial pairs of a trigonal
bipyramid. In this paper, we attempt to discuss three controlling factors of molecular
geometry: 1) the Pauli repulsion; 2) the metal d orbital participation in bonding and 3)
ligand electrostatic repulsion.

Fig 1. a) the square pyramid structure (C4v) of TaH5; b) trigonal bipyramid structure (D3h)
of TaF5

Fig 2. Example of pentacoordinate molecules in which the less electronegative ligands


and double bonds occupy the equatorial positions
CHED 577
Generation of secondary organic aerosol from a beta-phellandrene based
essential oil
Kaylee Gund1, kgund@udallas.edu, Kara Huff Hartz2. (1) Department of Chemistry,
University of Dallas, Irving, TX 75062, United States (2) Department of Chemistry and
Biochemistry, University of Southern Illinois, Carbondale, IL 62901, United States
When released into the atmosphere, volatile organic compounds (VOCs) react with
oxidants to form secondary organic aerosol (SOA). SOA comprises a significant portion
of total organic particulate matter and poses environmental and health hazards with
increasing concentrations. SOA formation from a byproduct of mountain pine beetle
infestations in lodgepole pine tree trunks, a VOC called -phellandrene, was
investigated. To study this phenomenon, an essential oil containing -phellandrene and

minor amounts of other VOCs was injected into an environmental smog chamber and
allowed to react with an excess of ozone. SOA formation was measured by monitoring
particulate matter formation using a scanning mobility particle sizer. SOA samples were
collected onto filters for off-line characterization using solvent extract and analysis by
gas chromatography/mass spectroscopy. Based on the kinetics of VOC oxidation and
particle formation, -phellandrene likely undergoes a two-step oxidation process during
which products from both the endo and the exo carbon carbon double bond are formed.
Analysis of filter samples collected during the experiment revealed that the carboncarbon double bonds of -phellandrene were oxidized to give a variety of products
including cryptone. The measured SOA yields suggest that the -phellandrene released
from mountain pine beetle infestations has the potential to contribute to organic
atmospheric particulate matter concentrations.
CHED 578
Determination of products formed by the photolysis of 2,4-dinitrotoluene and 2,6dinitrotoluene in solutions containing dissolved ionic compounds
Alec J Kersey, aleckersey@gmail.com, Daniel W. O'Sullivan, Dianne J. Luning
Prak.Chemistry, United States Naval Academy, Annapolis, MD 21402, United States
The corrosion of unexploded ordnance casings at shooting ranges or dumping grounds
provides an entry for munitions constituents into the marine environment. Exposure of
these dissolved compounds to sunlight can cause some of them to degrade into
products that are more toxic than the parent compound. In this work, some of the
products formed by photolysis of two common propellants, 2,6-dinitrotoluene (2,6-DNT)
and 2,4-dinitrotoluene (2,4-DNT), in seawater and salt water solutions were separated
and identified. Solutions containing 2,4-DNT or 2,6-DNT were photolyzed using a solar
simulator. The product mixtures were extracted on amino and C-18 solid phase
extraction cartridges and sequentially eluted using water, acetonitrile and methanol. The
extracts were analyzed using liquid chromatography mass spectrometry. The photolysis
products that have been identified for 2,6-DNT include 2,6-dinitrobenzyl alcohol, 2,6dinitrobenzaldehyde, and 2,6-dinitrobenzyl nitrile. The photolysis products that have
been identified for 2,4-DNT include 2,4-dinitrobenzyl alcohol, 2,4-dinitrobenzaldehyde,
and 2,4-dinitrobenzyl nitrile.
CHED 579
Determination of the impact of dissolved inorganic and organic substances on
the photolysis of munitions constituents
Elizabeth A. Milewski, m134578@usna.edu, Dianne J. Luning Prak.Department of
Chemistry, United States Naval Academy, Annapolis, MD 21402, United States
Munitions constituents enter natural waters from the corrosion of unexploded ordnance
casings and from runoff near shooting ranges. Exposure to sunlight can cause some of

these constituents to degrade. In this study, the photolysis rates of two common
propellants, 2,4-dinitrotoluene and 2,6-dinitrotoluene, were measured as a function of
dissolved ionic and organic substances. Samples were exposed to simulated sunlight
using a Suntest CPS+ solar simulator under various filters designed to select specific
regions of the solar spectrum to examine the wavelength dependence of photolysis.
After irradiation, samples were analyzed via HPLC, and first-order rate constants for the
photolysis reaction were determined. The rates of photolysis increased with increasing
concentration of dissolved ionic compounds. Photolysis rates in the presence of
dissolved organic substances were faster than in pure water. This poster will present
the rates of degradation of munitions constituents in waters containing various dissolved
substances in varying concentrations.
CHED 580
Synthesis and oxidative degradation 6-(hydroxymethyl)uracil as a model
compound for cylindrospermopsin (CYN), a potent cyanotoxin
Michelle Luzi, mluzi91@hotmail.com, Cen Zhao, Kevin O'Shea.Department of
Chemistry and Biochemistry, Florida International University, Miami, Florida 33199,
United States
Cylindrospermopsin (CYN) is a toxin produced by several strains of cyanobacteria
which inhabit fresh water lakes and rivers. Algal blooms have received considerable
attention because of the concerns with the elevated levels present in drinking water
reservoirs. An effective and efficient method for eliminating CYN from drinking water
supplies is critical to protect human and environmental health. The limited availability
and high cost of high CYN have inhibited detailed studies on the removal or degradation
of CYN by advanced oxidation technologies. With this in mind, 6-(hydroxymethyl)uracil
has been synthesized as a model compound for CYN. Two synthetic approaches were
followed in attempts to obtain the model compound. The model compound was
subjected to photocatalysis using different types of TiO2 materials. The synthesis and
degradation studies will be presented. We are currently attempting the synthesis of
anticipated byproducts of the degradation reaction for confirmation product structures.
CHED 581
Atrazine degradation in Puerto Rico soil amended with compost and
vermicompost
Manuel Garca, agonzal414@gmail.com, Myrna Ros, Angela Gonzalez.Department of
Biology, Chemistry and Environmental Sciences, Inter American University of Puerto
Rico - San Germn, San Germn, Puerto Rico 00683, Puerto Rico
Atrazine is a widely used pesticide because its efficiency and low cost to control weeds
in crops. It has been used in Puerto Rico in pineapple, yams, yautias and banana crops.
However, EPA has restricted its use due to its potential health risks for humans and

aquatic ecosystems. Atrazine has been found in surface, ground, and drinking waters,
especially after heavy rains. Soil amendment has been successfully used to stimulate
the degradation of contaminants. This work compared the effectiveness of amending
soil with grass clippings compost or vermicompost to reduce atrazine concentration.
Decrease in the concentration of atrazine was followed using UV detection after
extraction of the pesticide. UV detection allowed a simple way to follow atrazine
concentration through the experiment. Results indicated that vermicompost amendment
reduced the atrazine concentration by more than half, in the period of the study, being
the most effective modification.
CHED 582
Removal of arsenic and chromium in groundwater using a magnetite based
nanocomposite
Manuel Garca1, felixr.roman@upr.edu, Tatiana Luna-Pineda2, Oscar Perales-Prez3,
Flix Romn-Velzquez2. (1) Department of Biology, Chemistry and Environmental
Sciences, Inter American University of Puerto Rico, San Germn, PR 00683, Puerto
Rico (2) Department of Chemistry, University of Puerto Rico, Mayaguez, PR 00681,
Puerto Rico (3) Department of Engineering Science & Materials, University of Puerto
Rico, Mayaguez, PR 00681, Puerto Rico
The capacity of meso-dimercaptosuccinic acid functionalized magnetite (DMSAmagnetite) and magnetic nanocomposite (DMSA-magnetite as disperse phase and
calcium alginate as matrix) to remove oxyanions is presented. For arsenic and
chromium sorption a maximum uptake capacity was observed using a pH of 6.5 and
4.5, respectively. These results have been obtained using deionized water spiked with
arsenic or chromium. Effect of DMSA-magnetite nanoparticles and magnetic
nanocomposite on the removal of arsenic and chromium from ground water was
investigated at pH 6.5 and 4.5, respectively. Water samples were taken from Mayagez,
Puerto Rico and spiked with different concentrations of arsenic and chromium. Samples
were treated with 1g of sorbent per liter of water. The samples were shaken and
aliquots were taken at regular time intervals (1, 6, 12, 24, 36, 48, 60, and 72 hours). The
samples were diluted and concentrations of arsenic and chromium were determined
using EPA method 200.8.
CHED 583
Arsenic sequestration from surface water via ZVI and copper nanoparticle filters
Angelica A Campos1, angelica.campos.cordero@gmail.com, Edgardo O Ortiz1, Jenifier
Olavarria2, Marco A De Jesus2. (1) Department of Biology, Chemistry and
Environmental Science, Inter American University of Puerto Rico, San German, PR
00683, Puerto Rico (2) Department of Chemistry, University of Puerto Rico, Mayaguez,
PR 00681, Puerto Rico

Organoarsenic drugs, such as roxarsone and arsanilic acid, are commonly administered
to control coccidian intestinal parasites and improve growth and pigmentation in poultry.
These veterinary drugs can promote native bacterial resistance and degrade in the
environment, releasing potentially more toxic arsenic species (As (III) and As (V)).
Ninety five percent of arsenic drugs are released into litter which is commonly used as
fertilizer, thus raising concerns regarding possible dispersion of arsenic to water bodies.
Copper and iron nanoparticles have proven to be highly effective for arsenic absorption;
therefore, their use as isolating materials is attractive. In this work, filters containing
metallic Fe and Cu nanoparticles were developed to evaluate their removal capability of
roxarsone and arsanilic acid. The removal capability of the new filters was assessed by
determining the organoarsenic drugs concentration, by HPLC. Results indicate that zero
valent iron filters (ZVI) were more effective to remove those drugs.
CHED 584
Investigation of toxic heavy metals in the Chattahoochee River water using
graphite furnace atomic absorption spectroscopy
Timothy C Jones, jones_timothy9@columbusstate.edu, Samuel Abegaz.Department of
Chemistry, Columbus State University, Columbus, Ga 31907, United States
The Chattahoochee River is approximately 430 miles long. It is important to Alabama,
Georgia, and Florida. Pollution of the Chattahoochee River is a major concern,
especially for cities such as Columbus which is located downstream from Atlanta. In this
study, 15 water samples were collected from Eufaula, Alabama, to Lake Lanier,
Georgia, and tested for the content of heavy metals using graphite furnace atomic
absorption spectroscopy. The pyrolysis and atomization temperatures were optimized
with and without matrix modifiers. The analytical procedure was validated using certified
reference material and the results were in agreement with the certified values. The
ranges of heavy metal concentrations ND 0.215 g/L, ND - 2.49 g/L, ND - 3.2 g/L,
and ND 4.6 g/L for cadmium, chromium, arsenic, and lead, respectively, with a
precision better than 5% for more than 95% of the measurements.
CHED 585
Insights into the solvolytic mechanism of -chloro-2-(trifluoromethyl)benzyl
chloroformate
Kaylee Miller1, Kaylee.Miller@email.wesley.edu, Catherine Gross1,
Catherine.Gross@email.wesley.edu, Malcolm J D'Souza1, Dennis N Kevill2. (1)
Department of Chemistry, Wesley College, Dover, DE 19901, United States (2)
Department of Chemistry & Biochemistry, Northern Illinois University, DeKalb, IL 60115,
United States
Substituted benzylic chloroformate esters have found wide commercial use in the
agrochemical, pharmaceutical, and the related chemical product industry. Additionally,

peptide chemistry utilizes protecting groups such as the benzyloxycarbonyl group due to
its chemical stability and ease of removal. In this undergraduate research project, the
specific rates of solvolysis of -chloro-2-(trifluoromethyl)benzyl chloroformate have been
measured in several pure and binary aqueous organic solvents including a variety of
fluoroalcohol mixtures. The kinetic rates of this benzyl chloroformate containing
electron-withdrawing substitution were determined using acid-base and conductometric
titrations. Our results indicate that nucleophilic attack plays an important part in the ratedetermining step. The Wesley College undergraduate research program in chemistry is
supported, in part, by the Delaware INBRE and EPSCoR programs supported by
grants from the National Center for Research ResourcesNCRR (5P20RR01647212)
and the National Institute of General Medical Sciences NIGMS (8 P20 GM10344612)
from the National Institutes of Health (NIH); a National Science Foundation (NSF)
Delaware EPSCoR grant EPS0814251; and a NSF ARIR2 grant 0960503.
CHED 586
Differentiating electronic effects in substituted aryl chlorothionoformate esters
Brett M Sansbury1, Brett.Sansbury@email.wesley.edu, Malcolm J. D'Souza1, Dennis
N. Kevill2. (1) Department of Chemistry, Wesley College, Dover, DE 19901, United
States (2) Department of Chemistry & Biochemistry, Northern Illinois University,
DeKalb, IL 60115, United States
Aryl chlorothionoformates (ROCSCl) are derivatizing agents that have also found wide
use in the preparation of thionocarbamates that are effective fungicides. Over the past
few years, our research group has analyzed in detail the solvolyses of p-tolyl-, phenyl-,
p-chlorophenyl-, p-fluorophenyl-, and pentafluorophenyl chlorothionoformate esters in a
variety of organic mixtures of widely varying nucleophilicity and ionizing power values.
Here we present all of the solvolytic data of pentafluorophenyl chlorothionoformate
accumulated at 25.0C using the titration method. The rate data show that there is a
significant dependence on substitution effects and an analysis using the extended (twoterm) Grunwald-Winstein equation shows the occurrence of simultaneous side-by-side
addition-elimination and unimolecular SN1 mechanisms. This work is supported, in part,
by the Delaware INBRE and EPSCoR programs supported by grants from the National
Center for Research ResourcesNCRR (5P20RR01647212) and the National Institute
of General Medical Sciences NIGMS (8 P20 GM10344612) from the National
Institutes of Health (NIH); a National Science Foundation (NSF) Delaware EPSCoR
grant EPS0814251; and a NSF ARIR2 grant 0960503.
CHED 587
Microbial fuel cell as a tool for chemical education
Venkataramana Gadhamshetty1, gadhav@rpi.edu, Wendy M. Willner1,2,
wendy.willner@gmail.com, Marianne Nyman1, Anne P Hynes3. (1) Department of Civil
and Environmental Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180,

United States (2) Briarcliff High School, Briarcliff Manor, New York 10510, United
States (3) Material Engineering, Rensselaer Polytechnic Institute, Troy, New York
12180, United States
3,3' Dichlorobenzidine (DCB) represents a carcinogenic compound that was frequently
used in manufacturing of textiles and dyes until 1982. This study evaluates the viability
of bioelectrochemical reduction of DCB compounds in biocathodes of microbial fuel
cells (MFCs). In MFCs, exoelectrogenic bacteria oxidize organics in the anode,and
generate electrons that can be used to reduce oxidized contaminants in the cathode. A
glass H-type reactor, utilizing DCB in a biocathode, was operated for nearly three
months. The MFC produced nearly 1.08 mW/m2 while reducing DCB. The DCB
concentration was reduced by nearly 23.9% within first 24 hours of operation.
Impedance analysis indicated a solution resistance of 150 , a polarization resistance
of 650 , and showed presence of two time constants.
CHED 588
Examining arsenate/arsenite ratios in well water
Daniel S. Mast, daniel.mast@comcast.net, Arwyn Smalley.Department of Chemistry,
Saint Martin's University, Lacey, Washington 98503, United States
Arsenic is a major water quality issue in communities around the world. Arsenic
is present in natural waters as one of two ions: arsenate(IV) and
arsenite(III). Residents of most counties in Washington State, including San
Juan County, are required to test for total arsenic concentration, without
regard to the speciation, although the two ions have significantly different
toxicities. We used a molybdenum blue method to test for both total arsenic
concentration and the arsenic ion ratios in Lopez Island well water.
CHED 589
Quantitative determination of antidepressants in biosolids destined for land
application
Lydia M Niemi, lniemi13@wooster.edu, Melissa M Schultz.Department of Chemistry,
The College of Wooster, Wooster, OH 44691, United States
Antidepressants are one of the most widely dispensed class of pharmaceuticals in the
United States. The use of biosolids, sludge produced from wastewater treatment plants,
as fertilizer is a potential route for antidepressants to enter the terrestrial environment. A
microextraction method was developed for the extraction of a suite of antidepressants in
lagoon sludge destined for land application. Liquid chromatography tandem mass
spectrometry was coupled with the extraction technique for quantitative determination.
The method was applied to monthly lagoon sludge collected from June 2012 to
February 2013. Labeled fluoxetine spiked sludge recoveries resulted in 50 9% due to

the heterogeneous nature of the sludge. Sertraline, fluoxetine, and citalopram were the
most commonly detected antidepressants in the sludge samples. Concentrations of the
individual antidepressants in the lagoon sludge ranged from no detect to 0.2 g/kg
(sertraline).
CHED 590
Nickel concentrations in sediments collected from the U.S. continental shelf in
the Gulf of Mexico
Rachel K Gibbs, rgibbs1@jsu.edu, Al C Nichols, David A Steffy, Larry J
Morgan.Department of Physical and Earth Sciences, Jacksonville State University,
Jacksonville, Alabama 36265, United States
Sediment samples were collected during the fall, 2010, along the U.S. continental shelf
in the Gulf of Mexico. Bottom samples were collected using a Shipek grab sampler.
Dried samples were analyzed for nickel using ICP. Nickel is a trace metal component of
the crude oil released from the BP Deepwater Horizon oil spill in April 2010. The release
of this crude oil could provide a new source of trace metals to the sediments forming the
continental shelf. Carbonate sediments collected off of the Gulf coast of Florida had a
mean nickel concentration of 5.31 + 3.81 micrograms of nickel per gram of dry
sediment. Deltaic sediments collected off of the Louisiana coast had a mean nickel
concentration of 9.09 + 3.58 micrograms /g.
CHED 591
Alternative mechanism for the kinetics of the aqueous formation of N-chloro-Nmethylacetamide
Bridget J. Gromek, gray@hartford.edu, Edward T. Gray,.Department of Chemistry,
University of Hartford, West Hartford, Connecticut 06117, United States
The kinetics of the reaction of N-methylacetamide with aqueous chlorine is reinterpreted
in a way that does not require the general-acid catalyzed pathway to proceed through
an acyl-hypochlorite intermediate. This new approach limits the chlorinating species to
aqueous HOCl and Cl2. The Cl2 reaction proceeds without catalysis while the HOCl
pathways are both specific and general-acid catalyzed. However, the catalytic step
invokes a modification of the amide nitrogen to a more amine-like entity which can then
react rapidly with HOCl along the lines of the well-known mechanism of acid catalysis of
the hydrolysis of secondary amides. Rate constants for the reaction with Cl2 will be
presented as well as those for the specific-acid and general-acid catalyzed pathways
involving HOCl. The HOCl reactions are accomplished without the presence of chloride
ion to eliminate interference from the Cl2 pathway.
CHED 592

Kinetics and mechanisms of the reaction of amines with N-chloro-Nmethylacetamide


Sarah C. Wahab, gray@hartford.edu, Edward T. Gray.Department of Chemistry,
University of Hartford, West Hartford, Connecticut 06117, United States
The kinetics and mechanisms of the transfer of oxidizing chlorine from N-chloro-Nmethylacetamide to primary and secondary amines in aqueous solution will be
presented. The reactions result in the quantitative formation of the respective
chloramine over a wide pH range. The orders of the reaction with respect to each
species will be presented along with a mechanism that includes the various
dependencies of hydrogen-ion catalysis. The results will be discussed in terms of the
conditions necessary to generate chloramine disinfectants in natural water systems
using N-chloro-N-methylacetamide as a stable source of chlorine.
CHED 593
Direct synthesis of biodiesel fuel from tree nuts
Katie E. Benjegerdes, kbenjege@student.uiwtx.edu, John J. Stankus,
stankus@uiwtx.edu.Department of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States
Biodiesel fuel was synthesized directly from solid nut sources including pecans and
almonds in the absence of the intermediate step of pressing out the oil. The residual
carbohydrates were fermented to produce the alcohol for the base-catalyzed
transesterification reaction. The biodiesel was characterized by combustion calorimetry,
GC-MS, and FTIR analysis.
CHED 594
Continued studies on the hypochlorite of phenol
Tina Moulton, cmoulton1996@pointloma.edu, Justin Hsu, hhsu1990@pointloma.edu,
Luke Vickers, Vic Heasley.Department of Chemistry, Point Loma Nazarene University,
San Diego, California 92106, United States
The synthesis and isolation of the organic hypochlorite, formed by the reaction of
monochloramine and phenol in water, has been improved. After formation, the
hypochlorite is extracted into ether and isolated by repeated vacuum removal of the
monochlorine. The presence of this structure in the solution was confirmed via
iodometric titration, gas chromatography, and mass spectrometry. The structure of the
hypochlorite was confirmed using 1H-NMR, in which the hypochlorite was isolated under
vacuum, placed in the 1H-NMR, reduced, dried, and placed again in the 1H-NMR. The
structure was also confirmed using 13C-NMR. The hypochlorite reactivity was probed by
analyzing the aqueous reaction of the hypochlorite with various hydrocarbons

commonly found in drinking water. The hypochlorite did react with these hydrocarbons
when in an acidic solution and, to a small extent, in a neutral solution.
CHED 595
Mercury analysis in Rafinesque big-eared bat populations
Lara J. van der Heiden, larajo15@aol.com, Cathleen J. Webb.Department of
Chemistry, Western Kentucky University, Bowling Green, Kentucky 42101, United
States
Mercury (Hg) from atmospheric deposition from coal-burning power plants and other
anthropogenic sources was analyzed in Rafinesque Big Eared Bats from Mammoth
Cave National Park. The mercury from water progressively moves up the food chain
through insects, and eventually into bats. In 2011, 58 bats were collected and hair
samples were taken for an analysis. The AMA254 Mercury Analyzer was used to
determine the mercury concentration from the bat hair in parts per million. A
considerable amount of mercury was discovered in the bats analyzed. The mercury
concentration of juvenile Rafinesque bats averaged between 0.5-1.0 ppm. Mercury
levels in adult Rafinesque bats averaged between 1.0-2.0 ppm, with female bats overall
containing the highest amount of mercury. Notably, the mass and forearm length of
Rafinesque bats do not appear to affect the amount of mercury the bats contain.
CHED 596
Photocatalytic degradation of triclosan
Owen D Williams, joel.boyd@gordon.edu, Dwight J Tshudy, Joel E Boyd.Department
of Chemistry, Gordon College, Wenham, MA 01984, United States
Triclosan is a common substance in personal care products and is an emerging concern
with regard to its potential environmental and human health effects. Triclosan was
chosen as a photocatalytic degradation target because it is often considered to be a
representative compound for the broader class of pharmaceutical waste products.
Triclosan will be quantified using HPLC detection. Novel TiO2-acrylic composite reactors
will be applied to the photocatalytic degradation of triclosan for potential point-of-use
applications in high triclosan usage areas.
CHED 597
Porous TiO2/acrylic composite materials for the photocatalytic oxidation of
carbon monoxide
Lee G Andrews, joel.boyd@gordon.edu, Benjamin D Stewart, Clyde A Daly, Joel E
Boyd.Department of Chemistry, Gordon College, Wenham, MA 01984, United States

TiO2 is well-known as a photocatalyst that can oxidize organic molecules when


activated by UV light. The deposition of TiO2 within UV-transparent porous support
materials facilitates the construction of efficient flow-through photocatalytic reactors for
gas-phase applications. Carbon monoxide (CO), an odorless tasteless gas that can be
lethally toxic to humans, is a byproduct of incomplete combustion reactions such as
automobile exhaust. This study shows that the porous polymer wafer reactors fabricated
in our lab can be used for the photocatalytic oxidation of CO into CO2 in the presence of
O2. The photocatalytic activity of platinized and a non-platinized reactors are compared
using various illumination intensities and wavelengths, in order to investigate the
viability of such reactors for use in industrial and household applications.
CHED 598
Novel solvent bar microextraction of acetaminophen and azithromycin from water
Cody L Smith, clsmith@millikin.edu, Edward R Acheson.Department of Chemistry,
Millikin University, Decatur, Illinois 62522, United States
A 2000 study done by the United States Geological Survey (USGS) analyzed 139 water
samples from various streams across the United States. 95 different compounds,
ranging from steroids to antibiotics, were found at part per billion (ppb) levels in the
samples. In order to detect these compounds, it was first necessary to concentrate the
analytes using solid phase extraction (SPE). While SPE is useful for concentrating
these analytes, the process is tedious, time-consuming, and not reproducible. Solvent
bar microextraction, first described in 2004, can be used as a rapid and reproducible
alternative to SPE. We have successfully used solvent bar microextraction to
concentrate acetaminophen from water as a model system for concentrating the
antibiotic azithromycin. We will describe our results with acetaminophen as well as
preliminary results concentrating azithromycin.
CHED 599
Determining volatiles produced by decomposing carcasses using GC/MS
Jordan Fauser, jfauser@stedwards.edu, Donald Wharry, Kendra Abbott.Department of
Chemistry, St. Edward's University, Austin, Texas 78704, United States
The Nicrophorus carolinus is a species of carrion beetle found in the United States
which uses chemical signals to locate carcasses at the ideal age for brood ball
formation. Based on field observations the beetles appeared to be most attracted to
carcasses 4 days into the aging process. The focus of this research was creating a
profile of the compounds produced by the decomposing carcass which attract these
carrion beetles using Solid-phase micro-extraction and gas chromatography with mass
spectroscopy. Volatiles from chicken and mouse carcasses were tested, aged in the
same way, and tested over a one week period, focusing on days 2-5 of the aging
process. Samples from whole carcasses and parts were tested. Differences were

identified in the compounds released based on the three variables tested. The
compounds most consistently observed were identified and some quantifications were
conducted to determine changes in extent of compounds released over time.
CHED 600
Analysis of heavy metal concentrations within street dust of the Long Creek
watershed
David Finocchietti1, david.finocchietti@maine.edu, Sarah McClain1, Martin Stein1,
Lucille Benedict1, Kate McDonald2. (1) Department of Chemistry, University of Southern
Maine, Portland, Maine 04104, United States (2) Cumberland Country Soil & Water
Conservation District, United States
The objective of this research was to analyze for sources of contamination of the Long
Creek Watershed in South Portland, ME. Pollutants tend to be transported by rainwater
along roadways and into storm drains. The runoff due to this process is a detriment to
aquatic ecosystems. This project aimed to investigate the concentrations of heavy
metals in street dust by monitoring specific locations within the watershed and
assessing trends over time. Samples were analyzed using an x-ray fluorescence
spectrophotometer. The results of this research will be used to determine how to better
manage urban runoff contamination into bodies of water, including the Long Creek
Watershed.
CHED 601
Microbial fuel cells: Generating electricity from mud
Wayne Michael Schmitt1,2,3, Wayne.Schmitt605@topper.wku.edu, Pu Zheng1,2, Cheng
Wen-Yen2, Yan Cao1,2, Hou-Yin Zhao2, Wei-Ping Pan1,2. (1) Chemistry, Western
Kentucky University, Bowling Green, Kentucky 42101, United States (2) Institute of
Combustion Science and Environmental Technology, Bowling Green, Kentucky 42101,
United States (3) Carol Martin Gatton Academy of Math and Science in Kentucky,
Bowling Green, Kentucky 42101, United States
Our society faces a transition from the traditional fossil fuel energy supply to the
extended wide-spectrum renewable energy supplies. This study explores the likelihood
of electricity generation using bacterium metabolism, while simultaneously cleaning up
the wastewater. Organic contaminants in wastewater are the energy source for the
metabolism of bacterium, yet some trace metal is vital. Demonstrated in the laboratory
using test tubes and beakers filled with mud and water, the naturally-collected bacteria
can create electricity potential through the redox reactions of their metabolic activities.
Bacteria generate a flow of electrons which can be potentially harvested as electricity.
By altering the conditions in which these bacteria reside, it is possible to affect their
metabolic activity, thus improving efficiencies of these microbial fuel cells. At the current

stage of this study, only electricity potential is created, and further studies will focus on
maintaining the constant electricity current in the microbial fuel cells.
CHED 602
Calcite precipitation and geochemistry in a calcareous fen
Krystal L. Woda, kwoda@pio.carrollu.edu, Joseph J. Piatt.Department of Chemistry
and Biochemistry, Carroll University, Waukesha, Wisconsin 53186, United States
Seasonal calcite precipitation dynamics were investigated at a calcareous fen (Vernon
Marsh) in Mukwonago, Wisconsin. Calcareous fens are fed by groundwater in contact
with dolomite, CaMg(CO3)2. As such, plant life in these fens has adapted to growing in
the presence of high calcium and alkalinity. For each five-week sampling episode over
the summer and fall, marble tiles were placed at a groundwater discharge area and at
ten locations downstream. The tile mass gained or lost was used as an indicator of
calcite precipitation or dissolution. Additionally, measurements of alkalinity, pH, CO2,
dissolved O2, conductivity, and water temperature also were taken to understand the
fen's surface water geochemical characteristics. Preliminary data suggests that in
summer months there is calcite precipitation which corresponds with CO2 exolution and
increases in pH as you move downstream from the discharge source. In colder
temperatures we expect to measure calcite dissolution.
CHED 603
Amine incorporation into particulate matter at a California dairy
Kopano L Ramsay1, kramsay4286@scrippscollege.edu, Su Anne Lee1, David R
Cocker2, Philip Silva3, Alam S Hasson4, Shawn Ashkan4, Kathleen L PurvisRoberts1. (1) Department of Chemistry, W. M. Keck Science Center, Claremont,
California 91711, United States (2) Center for Environmental Research & Technology,
University of California, Riverside, Riverside, California 92521, United States (3)
Agricultural Research Service, United States Department of Agriculture, Bowling Green,
Kentucky 42104, United States (4) Fresno State University, Fresno, California 93740,
United States
Particulate Matter (PM2.5) is a mixture of solid particles and liquid droplets in the
atmosphere. It has adverse effects on the environment and human health. One of the
chemical components of secondary organic particulate matter is alkylamines, but little is
known about how they partition between the gas and particle phase. One of the major
sources of these alkylamine emissions are in places of animal husbandry. A ParticleInto-Liquid-Sampler coupled to two Ion Chromatograms (PILS-IC) was used to identify
and measure the concentrations of ambient inorganic amine cations and anions at Flint
Dairy in Hanford, CA. A weather station was used to measure real-time daily weather
conditions, including relative humidity, temperature, wind speed, and wind direction.
Temperature and humidity fluctuated inversely. Almost all amine concentrations

fluctuated over the course of the day. Sulfate, ethylamine, dimethylamine and
triethylamine went up with increasing temperature, while nitrate concentrations went up
with decreasing temperature.
CHED 604
Determination of stimulant use by commercial truck drivers: Wastewater analysis
by LC-MS/MS
Rebecca L. Ferrell, rferrell@pugetsound.edu, Daniel A. Burgard.Department of
Chemistry, University Puget Sound, Tacoma, WA 98416, United States
Professions that require people to stay awake for long shifts, such as commercial truck
drivers, have the incentive to abuse stimulants such as those from the amphetamine
family. Usage statistics of these drugs comes from self-reporting data, police records
and drug testing results. Self-reporting illicit drug use is inherently problematic and the
other methods are invasive and involve catching use of the drugs. For this study
wastewater was collected from portable toilets at a weigh station along Interstate 5 in
Washington State. Daily samples were taken over a week, extracted using Solid Phase
Extraction and analyzed for amphetamine, methamphetamine, pseudoephedrine and
ephedrine by LC-MS/MS. Concentrations found in the wastewater were normalized
using the human marker compound creatinine as well as a tally of facility users. Levels
of amphetamine and methamphetamine were found to be as high as 120 and 660 ng/ml
respectively.
CHED 605
Correlation between formation of alkylaminium salts in particulate matter on
dairies
Su Anne Lee1, slee2875@scrippscollege.edu, Kopano Ramsay1, David R. Cocker2,
Philip J. Silva3, Alam S. Hasson4, Shawn Ashkan4, Kathleen L. Purvis-Roberts1. (1)
W.M. Keck Science Department, Claremont Colleges, Claremont, California 91711,
United States (2) Center for Environmental Research and Technology, University of
California Riverside, Riverside, California 92507, United States (3) United States
Department of Agriculture, Agriculture Research Service, Bowling Green, Kentucky
42104, United States (4) California State University Fresno, Fresno, California 93740,
United States
Gaseous amines in the atmosphere derive from sources such as sewage treatment and
livestock feeding. These amines react in the atmosphere to form particles, specifically
amine salts. Experiments were conducted at Flint Dairy, Hanford, CA to identify which
amine salts are present in particulate matter, and to explore the possible correlation of
alkylammonium salt formation. A Particle Into Liquid Sampler-Ion Chromatograph
(PILS-IC) was used to identify and measure the concentrations of salts formed during
our experimental period. The amines of interest are methylamine, ethylamine,

dimethylamine, and trimethylamine, as well as the chloride, nitrate and sulphate anions.
Data showed that over the period of a week, ethylamine correlates with the anions more
than the other amines. Our findings also indicate that in the case of trimethylamine,
there was a negative correlation with some of the anions.
CHED 606
Determination of pKa values for synthesized thiosemicarbazone and
semicarbazone ligands
Jacob D Buckner, jdbuckner42@students.tntech.edu, Amanda J Crook, Dale D
Ensor.Department of Chemistry, Tennessee Technological University, Cookeville, TN
38501, United States
Thiosemicarbazone and semicarbazone compounds have been extensively reported in
scientific literature. These compounds are used as chelating agents and are being
tested as possible cancer fighting agents. This research serves to determine the pKa
values of the hydrazinic proton. This proton must be removed prior to metal chelation.
These values provide valuable information in determining what pH range these
compounds will be most effective at remediating metal ions out of aqueous solutions.
This allows selection of ligands that will be successful in chelating metal ions out of
natural water supplies at environmental pH ranges. These determinations will be
conducted using spectroscopic methods that determine changes between protonated
and deprotonated forms of the ligand as pH is varied. This class of compounds is
expected to be effective in the pH range of natural water supplies, as preliminary data
places the pKa values of the compounds in the range of pH 8.
CHED 607
Baseline water quality monitoring in the watersheds of Otsego County, NY
Nicole Daniels, DanielsN@hartwick.edu, Martina Yoshiko, YoshikoM@hartwick.edu,
Zsuzsanna Balogh-Brunstad.Department of Chemistry, Hartwick College, Oneonta,
New York 13820, United States
The Marcellus Shale is a Middle Devonian age, black, low density, organic rich shale
that contains about 1.9 trillion cubic feet of natural gas that could be produced by the
process of horizontal hydraulic fracturing (fracking). One of the environmental effects of
fracking is potential surface and ground water contamination. Establishment of baseline
water quality information is essential for various parameters to allow detection of any
changes caused by fracking. The goals of our study are to monitor chemical and
physical field parameters and to establish a baseline database of current heavy metal
concentrations of the surface waters. Water samples are collected every three weeks
for nine months at fifty sites in Otsego County, NY and heavy metal concentrations are
determined using atomic absorption spectroscopy. All collected results will be used to

produce maps that show the current chemical state of the surface waters throughout
Otsego County.
CHED 608
Bioremediation technology using Lentinula edodes and Phanerochaete
chrysosporium to remove trace levels of 17--ethinylestradiol in wastewater
Hannah A Chappell1, hchappel@samford.edu, Lori Coward2, Greg Gorman2, Denise J
Gregory1. (1) Department of Chemistry and Biochemistry, Samford University,
Birmingham, AL 35229, United States (2) McWhorter School of Pharmacy, Samford
University, Birmingham, AL 35229, United States
The presence of 17--Ethinylestradiol (EE2) in the environment is causing harmful
effects on the ecosystems around wastewater. Certain strands of fungi have been
proven to degrade complex molecules such as Bisphenol A and lignin. Two strands of
fungi were used, Lentinula edodes and P. chrysosporium to degrade EE2. Both fungi
have lignolytic enzymes that are important in the degradation process. Lentinula edodes
contain the enzymes lignin peroxidase, manganese peroxidase and lacasse that are
important in the degradation process. P. chrysosporium was chosen because of a
recent discovery that it contains very little or no lacasse enzyme. We have successfully
degraded EE2 completely in 8 days with Lentinula edodes. This process is monitored
over time using LC-MS. We are currently working to determine the degradation products
and their level of estrogenic activity. Prelimary results of P. chrysosporium with EE2
show that degradation is significantly slower than the drug with Lentinula edodes.
CHED 609
Study of the heterogeneous chemistry of formic acid on mineral dusts by dual
chamber transmission FT-IR flow reaction system
Robert M Weingold, WeingoldRM@hendrix.edu, Matthew J Christie, Courtney D
Hatch.Department of Chemistry, Hendrix College, CONWAY, Arkansas 72032, United
States
Mineral dust aerosol can impact the chemistry and climate of the Earth's atmosphere by
providing surfaces for heterogeneous reactions and modifying the radiative balance of
the Earth, respectively. Surface/gas reactions can alter the chemical composition of the
mineral surfaces, thereby modifying the chemical and radiative properties of the mineral
aerosol. To study the heterogeneous chemistry of mineral dust aerosol at
atmospherically relevant relative humidities, a transmission Fourier transform infrared
(FT-IR) spectrometer equipped with an Aabspec #S reaction chamber in line with an
annular denuders has been previously designed, developed and characterized. Studies
of formic acid uptake on various dusts and dust analogs will be presented. Gas phase
formic acid was extracted in the form of formate from the annular denuders and
quantified off line by ion chromatography (IC). Changes in the condensed phase

reaction products were monitored using FT-IR spectroscopy and quantified by


extraction and analysis by IC. Infrared spectral features are identified and compared to
calculated vibration frequencies of formic acid on silica.
CHED 610
Impacts of Aeolian dust on phytoplankton growth rates
McKenzie Keller, KellerMR@hendrix.edu, Meredith Miles, Matthew Christie, Courtney
D Hatch.Department of Chemistry, Hendrix College, Conway, Arkansas 72032, United
States
Phytoplankton of the world's oceans are important chemical regulators and a major food
source for many marine species. It has long been hypothesized that iron is the main
limiting nutrient for phytoplankton in High-Nutrient Low-Chlorophyll areas. This project
examines the impact of Aeolian dust deposition on the growth rates of phytoplankton in
both iron-enriched and iron-deficient ocean environments. A correlation has been found
between the concentration of Fe-containing montmorillonite clay and growth rates of
phytoplankton within iron-deficient environments. The impacts of ocean deposition of
atmospherically processed clays have also been studied with respect to their effects on
phytoplankton growth rates. Results indicate that the nitrated clay minerals enhance the
growth rates of the phytoplankton such that the phytoplankton in iron-deficient
environments containing nitrated clays exhibits growth rates similar to that of
phytoplankton in iron-enriched environments. This experiment demonstrates the viability
of mineral aerosols as a source of nutrients for phytoplankton.
CHED 611
Application of carbon nanotube filters on abandoned mine drainage
Samantha M Shumaker, samantha.shumaker@email.stvincent.edu, Caryl
Fish.Chemistry, Saint Vincent College, Latrobe, PA 15650, United States
Acid mine drainage (AMD) is an escalating problem specifically in the Appalachian
Region where water tends to contain high levels of metals such as iron and aluminum.
In response to the increasingly prevalent issue of AMD, various counteractive options
for cleaner waterways have been investigated. One treatment option to explore is using
carbon nanotube (CNT) filters to decrease the concentration of metals in these AMD
waters. Upon the creation of three different types of filters using double walled CNTs,
single walled CNTs, and activated carbon through a suspension-filtering process, AMD
waters with different temperatures, iron and aluminum concentrations, and pH values
were run through the filters. Samples were analyzed for metal concentrations before
and after filtration. The ultimate goal is to find the usefulness of these filters in treatment
of AMD.
CHED 612

Passive treatment of abandoned mine drainage and municipal wastewater in a


bioreactor using potential biofuel producing microalgae
Jacob M Hendrick, jacob.hendrick@email.stvincent.edu, Caryl Fish.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15650, United States
Using laboratory-scale bioreactors microalgae, C. vulgaris and C. pyenoldosa, were
cultured in BG-11 medium under constant fluorescent light conditions stirring at 100
rpm. The cultures were introduced into a wastewater environment of Abandoned Mine
Drainage (AMD) from the Wetlands at St. Vincent College and Municipal Wastewater
(MWW) from Unity Township Latrobe, Pennsylvania to determine the contamination
treatment ability. Using the EPA method 300.0 the levels of nitrates and phosphates
using an Ion Chromatograph and iron levels using a Flame-AA were analyzed before
and after a seven-day growth period. The biomass is harvested using vacuum filtration,
dried and then weighed. The biomass is crushed to expose oil, washed with a hexane
and ether solution and allowed to settle. The hexane solution is evaporated off and
mixed with sodium hydroxide in a separatory funnel to produce biodiesel. The percent
lipid concentration and biodiesel production is determined for each alga strain.
CHED 613
Comparison between experimental and theoretical adsorption isotherms of CH4
and CO2 on montmorillonite
Michael D Kilmer, mdk5226@psu.edu, Lorena Tribe.Division of Science, The
Pennsylvania State University - Berks Campus, Reading, Pennsylvania 19610, United
States
Hydraulic Fracturing for natural gas in the United States requires a special fluid
composed of sand, water, and potentially harmful chemicals. Supercritical carbon
dioxide may be an alternative, which would avoid the introduction of hazardous
materials. Experimental isotherms for methane and carbon dioxide are available in the
literature because of the interest in shale gas reservoirs and in carbon sequestration.
The synergy of experimental and theoretical data for adsorption processes will provide a
molecular level of understanding and comparable determinations of Gads. Ultimately,
the difference in the Gads of both gaseous species will determine if CO2 is able to
desorb CH4 from the surface. Computational chemistry is used here to provide a
molecular level interpretation of the interactions between CH4 and CO2 and the
substrate with Density Functional Theory and the b3lyp/6-311++G(d,p) functional. The
models were developed with GaussView, energy minimized with Gaussian 09, and
analyzed with Molden.
CHED 614
Determination of a cation/anion balance in a calcareous fen system

Amanda L Gourlay, agourlay@pio.carrollu.edu, Jennifer L Fellin,


jfellin@pio.carrollu.edu, Matthew C Rosera, Joseph J Piatt.Department of Chemistry
and Biochemistry, Carroll University, Waukesha, Wisconsin 53186, United States
In conjunction with a field calcite precipitation study, fen water samples were collected
and analyzed to conduct a cation/anion balance in an effort to understand the
geochemical context of the calcite precipitation/dissolution dynamics. Groundwater and
surface water geochemistry impact the growth and success of plants in a wetland. The
groundwater that feeds this fen is rich in base cations and alkalinity as it is in contact
with dolomite, CaMg(CO3)2. Base cations were analyzed using FAA and the major
anions were determined titrimetrically and using ion-selective electrodes. Additionally,
trace metals that serve as micronutrients were measured using graphite furnace AAS.
The geochemical data collected was modeled using MINEQL, a chemical equilibrium
model, to determine if the dolomitic geology controls the geochemistry of the wetland
stream system.
CHED 615
Phytoremediation of lead contaminated water using aqueous plant extracts
Charne Thomas, charne_t@yahoo.com, Lovell E Agwaramgbo, Chardai Grays, Tajeve
Wright-Young.Chemistry, Dillard University, New Orleans, Louisiana 70122, United
States
There is a growing global concern for the environmental and health hazards posed by
heavy metal contaminants, especially lead in the soil and ground water. Thus, there is
great need to a cheap, efficient, and effective technology to mitigate the growing
problem of heavy metal contaminations. The study presented here was undertaken to
evaluate the potential of using aqueous extracts of Brassica juncea (Mustard Green),
Spinacea oleracea (spinach), Brassica Oleracea (Collard Green), Capsicum Annuum
(Red Pepper), Vernonia Amygdalina, Carota Sativus (Carrot), Lycopersicon esculentum
(Tomatoes), Vitis vinifera (grapes), and Citrus aurantifolia (lime) for the in-situ
remediation of lead contaminated water. After shaking triplicate reaction mixtures of
lead contaminated water with each substrate for 22 hours at room temperature, lead
removal by the substrates were analyzed using Inductively Coupled Plasma-Atomic
Emission Spectrometry. The study concludes that the aqueous extracts of the
vegetables and fruits effectively removed lead from contaminated water.
CHED 616
Lead remediation of contaminated water by charcoal, Louisiana red clay, spinach,
and mustard green
Shelby L. Edwards, lagwaramgbo@dillard.edu, Tajeve A. Wright-Young,
lagwaramgbo@dillard.edu, Lovell Agwaramgbo, lagwaramgbo@dillard.edu, Eric
Buckles.Chemistry, Dillard University, New Orleans, Louisiana 70122, United States

Lead is a toxic and naturally occurring substance with documented neurotoxin, toxic,
and long-lasting adverse health effects. Lead exposure can cause impaired physical
and mental development in children and affects the intestinal tract, kidneys, joints and
reproductive system in adults. This study evaluates the removal of 1500 PPM of lead
from contaminated aqueous solution using Celite, Louisiana Red Clay, Charcoal, and
supernatants from aqueous extracts of Mustard Green (Brassica juncea), and Spinach
(Spinacea oleracea). After shaking triplicate reaction mixtures for each substrate for 22
hours at room temperature, lead removal by the five substrates were analyzed using
Inductively Coupled Plasma-Atomic Emission Spectrometry (ICP-AES). Results suggest
that the order of lead removal is Spinach (98%) > Charcoal (96%) > LA Red Clay
(88%)> Mustard Green (87%) > Celite (4%). The study concludes that some liquid and
solid substrates can efficiently remove lead from contaminated water.
CHED 617
Nutrient level monitoring to determine the water quality of the Ocmulgee River
Kelly Taylor, kelly.taylor@bobcats.gcsu.edu, Catrena H Lisse.Department of
Chemistry, Georgia College and State University, Milledgeville, Georgia 31061, United
States
The Ocmulgee River Basin is monitored by an undergraduate research group from
Georgia College to determine nutrient levels along the river. It is vital to have clean
water for sustaining life, but sources of this clean water are diminishing quickly. The
Ocmulgee River parameters are analyzed on factors of nutrient levels, temperature, pH,
and turbidity using on-site water testing kits. The testing locations are mapped using
Global Positioning Systems technology. EPA guidelines are used to properly bring
samples back to the lab and test for results. Water quality trends from data collected
from three main rivers in Georgia: Altamaha, Oconee, and Ocmulgee, are highlighted in
this presentation.
CHED 618
H2Oconee and beyond: Water quality in the Oconee River basin
Hailee Pekarek, hailee.pekarek@bobcats.gcsu.edu, Catrena H Lisse.Department of
Chemistry, Georgia College and State University, Milledgeville, Georgia 31061, United
States
A team of undergraduates from the Georgia College Department of Chemistry, Physics
and Astronomy have come together to research and monitor the Oconee river basin that
spans from north to middle Georgia. The research group is monitoring the nutrient
levels, pH and turbidity of the water using on-site water testing kits. Testing is done
during the winter months in order to obtain more accurate results and EPA protocols are
followed to ensure proper sampling of the surface water. The sampling locations are
mapped using Global Positioning Systems to guarantee that future studies are taken at

the same locations. This team is investigating the trends between the Oconee,
Ocmulgee and Altamaha Rivers that all conjoin in middle Georgia. This presentation
summarizes the results and features the techniques used to acquire the results.
CHED 619
Rhodium catalyzed dehalogenation of environmental pollutants
Daniel M Neuburger, dmneuburger@csbsju.edu, Katherine J Kaiser,
kjKaiser@csbsju.edu, Alicia A Peterson.Department of Chemistry, College of Saint
Benedict | Saint John's University, St. Joseph, MN 56374, United States
Halogenated organic compounds are known toxins and ground water pollutants.
Toxicity is related to the halogen atoms, so complete dehalogenation of these pollutants
effectively removes this concern. Catalytic hydrodehalogenation of chlorinated
ethylenes and halobenzenes by 5 wt % rhodium on alumina catalyst in the presence of
dihydrogen as the reducing agent under aqueous conditions is described. Kinetic
parameters and product distribution for hydrodehalogenation reactions were determined
using gas chromatography-mass spectrometry headspace analysis. The effects of
various inorganic salts, buffers, and pH on the rate of hydrodecholorination was
investigated. Substrate scope was explored using halogenated benzenes where the
final hydrodehalogenation products are cyclohexanes.
CHED 620
Analyzing microplastics in a marine environment using FTIR
Madison Martinez, c.smith@ollusa.edu, Charles A Smith.Department of Chemistry,
OLLU, San Antonio, Texas 78207, United States
The polluting of the ocean is gradually increasing everyday due to trash being dumped
into the ocean. The ocean forms what is called gyres, which are five worldwide giant
patches of trash, specifically plastics. Plastic materials are broken down into micro
plastics with the help of UV radiation and any physical processes controlled by wind,
current, wave, and tide action. The idea of the project was to collect sand from different
areas of Corpus Christi, TX beaches and search for microplastics. Once found all
plastics were analyzed using the FTIR and calculated for percentages. Percentages
were taken in order to find which plastic was most abundant in particular areas of the
beaches.
CHED 621
Method development for analyzing chloroethanes in trees over a contamination
plume

Lauren Conway, c.smith@ollusa.edu, Charles A Smith.Department of Chemistry,


OLLU, San Antonio, Texas 78207, United States
Kelly AFB in San Antonio was established in 1917 and closed in 2001. Kelly operated
not only as an airfield, but also a supply and fuel depot, aircraft maintenance and repair
facility which included parts cleaning, stripping, painting, and metal fabrication and
plating. Over time large amounts of degreasing solvents were disposed of by burying on
the site resulting in the current underground contamination plume consisting mostly of
chlorinated solvents. The objective of this project is to use SPME to analyze headspace
of local tree samples obtained on Kelly AFB existing over the contamination plume in
hopes of detecting chloroethanes. To be presented include initial results and optimum
methods for analysis including sample collection.
CHED 622
Comparison of methods to EPA 3510c for the detection of several classes of
pesticides in water using GC-MS
Scott D Gorman, sdgorman@comcast.net, Stephen A Waratuke.Chemical Sciences,
Bridgewater State University, Bridgewater, Massachusetts 02325, United States
Pesticide use by its very nature has many unintended side effects for both the
environment and human beings. Thus, it is necessary to have effective methods of
extracting and analyzing compounds present in different matrices including water, soil,
or even honeycomb. Since solvents are oftentimes used in extraction and sample
preparation, it is important to explore greener methods to limit or eliminate solvent use.
We have evaluated alternatives to existing EPA methods for the extraction and
concentration of pesticides from water samples and subsequent analysis using Gas
Chromatography Mass Spectrometry. The techniques include modifications to the EPA
method 3510c Liquid-Liquid Extraction (LLE), the Quick, Easy, Cheap, Effective,
Rugged, Safe (QuEChERS) technique, and solid state extraction techniques. The
effectiveness of these methods in our studies of different classes of pesticides will be
presented.
CHED 623
Measuring halogenated flame retardants by silicone tubing mictroextraction
Megan E. Liggett, mliggett@ashland.edu, Brian K. Mohney, bmohney@ashland.edu,
Jeffrey D. Weidenhamer.Department of Chemistry/Geology/Physics, Ashland
University, Ashland, Ohio 44805, United States
Silicone tubing microextraction was used to extract and concentrate brominated and
chlorinated flame retardants from environmental samples. Due to the lipophilic nature of
these compounds, silicone tube microextraction is ideal for extracting flame retardants
from soil and water. Flame retardants are a category of commercially produced

chemicals that have been added to many synthetic products including computers,
plastics, and fabrics. These compounds are known to accumulate in the environment,
leading to bioaccumulation of compounds in the human body producing potential
adverse health effects. Our goal was to develop a method of quantification of flame
retardants initially using standards, and to then use this technique to quantify these
compounds in environmental samples. This project provides a new analytical approach
to understanding the environmental and public health issues resulting from the
widespread exposure to these compounds.
CHED 624
Induction of apoptosis by the marine algal toxin Azaspiracid-1
Ahmed K Madhkoor, amadhkoo@umd.umich.edu, Michael Twiner.The Department of
Natural Sciences, University Of Michigan-Dearborn, Dearborn, MI 48128, United States
Azaspiracid (AZA) is polyether marine dinoflagellate toxin produced by phytoplankton
and accumulates in shellfish. Consumption of contaminated shellfish by humans leads
to gastrointestinal illness. As a toxin class, the AZAs have been shown to be highly
cytotoxic. The molecular target for AZA has not yet been determined. Our investigations
have employed Jurkat T lymphocyte cells to characterize cytotoxicity and the
pathway(s) of apoptosis. The mechanisms of apoptosis are highly complex and
sophisticated, involving an energy-dependent cascade of molecular events that include
the release of cytochrome c from the mitochondria and caspase activation. Cytochrome
c is a component required for caspase-3 activation and shown to redistribute from the
mitochondria to the cytosol during the early stages of apoptosis. Our investigations have
shown that the range of cytochrome c in cells exposed to AZA1 is (2.1 5.0 fg/cell)
compared to (0.65- 0.71 fg/cell) in control cells.
CHED 625
Comparison of SPME to liquid-liquid extraction for the GC-MS determination of
triclosan in water contaminated with OWC's
Robert E Geary, robertgeary10@yahoo.com, Stephen Waratuke.Chemical Sciences,
Bridgewater State University, Bridgewater, Massachusetts 02325, United States
Organic compounds have been of increasing concern as contaminants in our water
systems due to their potential toxicity. Triclosan is commonly used in products such as
toothpaste, make-up, and hand sanitizers. Additionally, it could affect the potency of
antimicrobial agents. We need to learn more about the presence of Triclosan and
related compounds in our environment. The use of Gas Chromatography-Mass
Spectrometry is often used for the detection and quantification of organic waste-water
contaminants (OWC's) in water. This method first requires an initial sample preparation
such as liquid-liquid extraction. We will present our findings comparing the use of Solid

Phase Microfilm Extraction (SPME) to EPA method 3510c for the quantification of
Triclosan in the absence and presence of other OWC's.
CHED 626
Comparative study of lead removal from lead contaminated water by aqueous
extracts of spinach, coffee, and tea
Nichole Lathan, nicholelathan@yahoo.com, Lovell Agwaramgbo,
lagwaramgbo@dillard.edu, Shelby Edwards.Department of Chemistry, Dillard
University, New Orleans, Louisiana 70122, United States
Although few studies have examined the removal of lead from contaminated water
using dry biomass of tea leaves and coffee ground, the lead concentration in those
studies range from 10-200 PPM of aqueous lead solution. This study compared the
effectiveness of aqueous extracts of spinach puree and a variety of brewed coffee and
tea in removing lead from 1300 PPM of aqueous lead solution. After 24 hr of agitation at
room temperature followed by centrifugation, the lead concentration (in PPM) remaining
in the liquid centrifugate from each reaction vessel was analyzed using EPA Method
6010 (Inductively Coupled Plasma-Atomic Emission Spectrometry (ICP-AES)). The
results suggest that the order of lead removal was Spinach (99%) > Instant coffee
(90%) >Tea (81%). Thus, Spinach extract was more efficient in lead removal from lead
contaminated water than coffee or tea.
CHED 627
Preparation of activated carbons from waste peanut shells for use as a sorbent
material
Kathleen L Miller, klo675@wildcats.unh.edu, Ana M Celaya, Jillian L
Goldfarb.Department of Chemical Engineering, University of New Hampshire, Durham,
NH 03824, United States
Activated peanut shells possess high absorption properties that are applicable across
wastewater treatment, specifically for heavy metal and dye removal. We subjected this
waste biomass to nitrogen pyrolysis at a temperature range of 550-600C to produce
biochar. BET analysis of raw and pyrolyzed peanut shells of particle size 300-500m
show surface areas of 0.16 m2/g. and 10.23 m2/g, respectively. To increase the surface
area and therefore adsorption capacity, we physically activated the pyrolyzed material
for 20 minutes in CO2 at a temperature of 400-450C. Activated peanut shells of particle
size 300-500 m and >600m have surface areas of 15.28 m2/g and 31.05 m2/g,
respectively. With 84% carbon content, the specific surface area of activated biochar of
particle size >600 m is 806.78 m2/g. Further experimentation to determine the optimal
activation conditions are underway.
CHED 628

WITHDRAWN
CHED 629
Assessing estrogenic and androgenic activity of UV filter photoproducts
Samuel C Jensen1, khwammer@stthomas.edu, Kristine H Wammer1, Laura A
MacManus-Spencer2, Dalma Martinovic-Weigelt3. (1) Department of Chemistry,
University of St. Thomas, St. Paul, MN 55105, United States (2) Department of
Chemistry, Union College, Schenectady, NY 12308, United States (3) Department of
Biology, University of St. Thomas, St. Paul, MN 55105, United States
Previous research suggests that some UV filters commonly used as active ingredients
in sunscreens may exhibit estrogenic or androgenic activity and produce photoproducts
that are also potential endocrine disruptors. Here, UV filters were exposed to simulated
sunlight to generate photoproduct mixtures and characterized by HPLC and LC-MS.
Mixtures were screened for endocrine activity using two transcriptional assays. The
endocrine activities of the samples were interpolated by a least-squares means
procedure from a nonlinear sigmoidal dose response curve fit to the relative
luminescence units of the estradiol/testosterone standards. Octyl methoxycinnamate
(octinoxate) and a mixture of its photoproducts exhibited androgenic activity in vitro;one
active photoproduct (4-methoxybenzaldehyde) has been identified. Octyl dimethyl paraaminobenzoic acid (padimate O) had no androgenic activity in vitro, whereas a mixture
of its photoproducts was found to have activity. Utilizing flash chromatography, present
work is focused on isolating and identifying the active photoproduct(s).
CHED 630
Characterizing the particulate phase of mainstream hookah smoke
Jessica Annonio1, jeannonio@davidson.edu, Jeff Baker2, Cindy DeForest Hauser1,
Timothy Oh1. (1) Department of Chemistry, Davidson College, Davidson, North
Carolina 28035, United States (2) TSI, Inc., St. Paul, Minnesota, United States
Hookah (also known as narghile, shisha, and hubble-bubble) is a form of tobacco use
originating in India during the 15thcentury and has spread to various Middle Eastern and
Mediterranean regions and Western countries. Tobacco treated with ma'ssel, a sweet
tasting paste, is placed in the head of the hookah and heated with charcoal. As the user
inhales, hot air vaporizes the tobacco, and semivolatile components condense to form
smoke. The smoke is bubbled through liquid contained in the bowl and inhaled.
Other forms of tobacco use such as cigarettes and chewing tobacco have been well
characterized; however, information regarding hookah is still lacking. In this study,
particle concentrations and size distributions of mainstream hookah smoke particulate
matter are quantified. Additionally, the effect of filtration media, inhalation time intervals

and heat source are investigated. By looking at these parameters, the adverse health
effects of hookah can be better understood.
CHED 631
Bacterial resistance to four classes of antibiotics in the Minnesota River
Marianna E Moffatt1, khwammer@stthomas.edu, Elizabeth W Beck1, Tucker R Burch2,
Timothy M LaPara2, Kristine H Wammer1. (1) Department of Chemistry, University of
St. Thomas, St. Paul, MN 55105, United States (2) Department of Civil Engineering,
University of Minnesota, Minneapolis, MN 55455, United States
There is increasing evidence that environmental bacteria are an important reservoir of
antibiotic resistance due to antibiotic use in both human medicine and agriculture. This
project is part of a larger study investigating impacts of agricultural runoff and
wastewater treatment plants on bacterial resistance in surface waters to four classes of
antibiotics: tetracyclines, macrolides, sulfonamides, and fluoroquinolones. Here,
antibiotic resistance genes (ARGs) were quantified among bacterial communities
collected from ten sites during nine sampling events between Summer 2011 and
Summer 2012. Five ARGs, the 16S rRNA gene, and intI1 were quantified using qPCR.
Other components of the study include measuring antibiotic concentrations and
resistance levels among cultivable bacteria from the same sites. To date, our findings
suggest there are no consistent differences among sites in relative levels of cultivable
resistant bacteria. However, there are higher quantities of antibiotics and ARGs found in
samples directly impacted by wastewater treatment plants.
CHED 632
Industrial and agricultural pollutants in the Susquehanna watershed of
Pennsylvania
Michelle Piotrowski, urao@sju.edu, Megan Forman, urao@sju.edu, Catherine Blithe,
Amy Dougher, Christopher Millet, Michael Montemarano, J. Scott Niezgoda, Usha
Rao.Department of Chemistry, Saint Joseph's University, Philadelphia, PA 19131,
United States
Concentrations of metals and nutrients in the Susquehanna River watershed, an EPAdesignated American Heritage River system, have been analyzed seasonally over
several years. The Susquehanna River and its tributaries form 50% of the inflow of the
Chesapeake Bay, and comprise its largest source of industrial and agricultural pollution.
In particular, over a century of anthracite coal mining in Northeastern Pennsylvania has
contributed acidity, turbidity, and metals to the Susquehanna basin. In addition, since
the Susquehanna River drains some of the most agriculturally productive land in the
U.S., nitrogen and phosphorus from agricultural runoff enter the river system and are
carried downstream to the ecologically vulnerable Chesapeake Bay.

The current study assesses field parameters such as pH, temperature, conductivity, and
temperature in the water, as well as nutrient levels in water and concentrations of iron,
calcium, copper, zinc and nickel in the water and sediment collected from 18 sample
sites in Pennsylvania. In general, nickel, zinc and copper were present in low
concentrations in water and sediment, while calcium was elevated in the aqueous
phase and iron in the sedimentary phase. Phosphorus levels are relatively low (<0.1
mg/L) in the samples collected. However, given the large volume of water that reaches
the Chesapeake Bay from the Susquehanna River and its tributaries, total phosphorus
loads from the Susquehanna River system tend to contribute to eutrophication in the
Chesapeake Bay.
CHED 633
Collection and analysis of volatile organic compounds from a hair salon in
Eastern Oregon
Garret Zinzer, zinzerg@eou.edu, Jason Mumm, Robert Barrington, Philip Deenik,
Jeremy Riggle.Department of Chemistry & Biochemistry, Eastern Oregon University, La
Grande, OR 97850, United States
Passive sampling semi-permeable membrane devices (SPMDs) were used to collect air
samples from a hair salon in Eastern Oregon. SPMDs were deployed for just over 30
days in a local boutique. Following deployment, the SPMDs were retrieved and returned
to the laboratory. SPMDs were then dialyzed with hexane to remove volatile organic
compounds (VOCs). The dialysate was then reduced in volume and analyzed.
Identification and quantification of VOCs was carried out using gas chromatographymass spectrometry (GC-MS).
CHED 634
Chemical characterization of PM10 in the Grande Ronde Valley in Eastern Oregon
Philip Deenik, deenikp@eou.edu, Jason Mumm, Robert Barrington, Garrett Zinzer,
Jeremy Riggle.Department of Chemistry & Biochemistry, Eastern Oregon University, La
Grande, OR 97850, United States
Atmospheric particulate matter smaller than 10m in aerodynamic diameter (PM10) is a
complex mixture of organic and inorganic components. These components are largely a
product of local processes and also have significant implications for human health. This
research project focuses on the PM10 in the Grande Ronde Valley, Oregon. Samples
were collected on quartz-fiber filters using a hi-volume sampler on the campus of
Eastern Oregon University. These samples were then analyzed for different metals
using Atomic Absorption Spectroscopy. The samples were also tested for polyatomic
ions using High Performance Liquid Chromatography. Volatile Organic Compounds
(VOC's) and Polyaromatic Hydrocarbons (PAH's) were also extracted and quantified
using Gas Chromatography Mass Spectrometry (GC-MS).

CHED 635
Characterization of ozonation products for the macrolide antibiotic roxithromycin
Wendy J Consoer, khwammer@stthomas.edu, Daniel J Kellen, James R Byrnes,
Kristine H Wammer.Department of Chemistry, University of St. Thomas, St. Paul, MN
55105, United States
With the increase of antibiotics detected in surface water, it is important to understand
whether or not antibacterial activity is retained when antibiotics are transformed during
the drinking water treatment process. This study examines the effects of ozonation on
the macrolide roxithromycin. Previous studies have suggested that some ozonation
products of roxithromycin may retain antibacterial activity because parts of the molecule
necessary for activity are left intact. This study aims to identify the major ozonation
products of roxithromycin and determine the presence of any antibacterial activity.
Roxithromycin solutions were treated with aqueous ozone, under various pH and DOC
conditions, and residual roxithromycin was quantified using HPLC analysis. Product
mixtures were screened for antibacterial activity with a biological assay using
Staphylococcus epidermidis then analyzed using QTOF-MS. To date no ozonation
products that retain antibacterial activity have been observed.
CHED 636
Chemical sustainability in the bromination of organic compounds: Evaluating a
tungstate catalyst in the synthesis of 3-bromooxindole-3-acetic acid, a potential
therapeutic agent
Kyle E. Murphy, K2MURPHY@student.bridgew.edu, Edward J. Brush.Department of
Chemistry, Bridgewater State University, Bridgewater, MA 02325, United States
The goal of green chemistry is to eliminate the use and generation of hazardous
chemicals to prevent harm to people and the environment. We have been studying the
synthesis of 3-bromooxindole-3-acetic acid (BOAA). BOAA is converted into 3methyleneoxindole (MOI) which is an inhibitor of cysteine proteases, enzymes that are
suspected contributors in diseases such as cancer. The major issues with the BOAA
synthesis are poor atom economy and low percent yield. The standard synthesis
requires indole-3-acetic acid (IAA), tert-butanol, and N-bromosuccinimide (NBS). We
have identified that the bromination of IAA by NBS is responsible for the poor efficiency
of this reaction, and have evaluated bromide salts, hydrogen peroxide, and a layered
double hydroxide tungstate catalyst for the greener bromination of IAA. Initial testing of
this catalyst has given promising results for a more efficient BOAA synthesis.
CHED 637
Quantitative analysis of heavy metal contaminants in river sediments using LIBS

Chris Malfitano, csmalf13@g.holycross.edu, Jude A. Kelley.Department of Chemistry,


College of the Holy Cross, Worcester, Massachusetts 01610, United States
We have developed a new technique for analyzing river sediment for heavy metal
contamination. Atomic Absorption Spectroscopy (AA) is the gold standard for such
quantification, but has issues with sample preparation, waste generation and speed. We
report a laser induced breakdown spectroscopy (LIBS) approach as a quicker and
cheaper alternative. We have demonstrated that the technique is both sensitive and
repeatable enough for use in environmental monitoring.
LIBS is commonly used for qualitative analysis. For quantitative analysis, the setup
must be optimized for reproducibility. The sample rests on a platform that can be
reproducibly vertically positioned to overlap with the focal point of the laser. A standoff
lens collects the light emitted from the generated plasma, enabling operation at low
laser power, which minimally disturbs the samples.
We benchmark the LIBS results with AA measurements performed on identically
contaminated samples.
CHED 638
Bioavailability of cadmium in inexpensive jewelry
Mallorie L. Boron, mboron@ashland.edu, Jeffrey D. Weidenhamer.Department of
Chemistry, Geology & Physics, Ashland University, Ashland, Ohio 44805, United States
The US Consumer Product Safety Commission (CPSC) recently accepted methods
proposed by industry for testing cadmium bioavailability in children's jewelry. Samples
are extracted in saline solution (simulating mouthing) or 0.07 M hydrochloric acid
(simulating swallowing) to estimate cadmium release. One unanswered question is
whether cadmium release increases when electroplated coatings are damaged. Earlier
tests identified several pieces for which leaching increased as much as ten-fold when
the item's coating was damaged. For this study, X-ray fluorescence (XRF) was used to
identify high-cadmium items with a range of zinc content, because zinc appears to
reduce cadmium bioavailability. Duplicate high-cadmium samples, one cut in half and
one left intact, were analyzed by the different extraction methods. An alternate
procedure using a briefer extraction of ground material from each jewelry item is being
compared to the other test methods. Following bioavailability testing, total cadmium and
zinc content of all items is being determined.
CHED 639
Photoproduction of singlet oxygen in natural waters: Influence of Cu2+ and Fe3+
complexed by dissolved organic matter

W. Jedida Ouedraogo, wendinpui.ouedraogo@mnsu.edu, John D.


Thoemke.Department of Chemistry and Geology, Minnesota State University, Mankato,
Mankato, MN 56001, United States
Dissolved organic matter (DOM) in natural waters is an assemblage of biological
macromolecular fragments and has a number of ecological and geochemical functions,
including metal binding. The metal ions interact with DOM to form complexes, and this
interaction influences the photoproduction of singlet O2, which plays a significant role in
chemical transformations within the water column. This project investigated the
influence of DOM-bound metal ions on the photoproduction of singlet O2.
Natural water samples were obtained, filtered, and titrated with Cu(NO3)2, and Fe(NO3)3.
The samples were irradiated with ultraviolet light. Then the depletion of furfuryl alcohol
(FFA), which is proportional to the amount of singlet O2, was monitored by HPLC
analysis. This was compared to the photoproduction of singlet O2 in each sample in the
absence of added metal ions. As expected, variations in singlet O2 production were
observed.
CHED 640
Lake Macatawa sediment analysis
Eric Greve, eric.greve@hope.edu, Dan Tobert, Julissa Pabon, Graham
Peaslee.Department of Chemistry, Hope College, Holland, MI 49422, United States
An EPA-funded toxicological study of Lake Macatawa sediment was performed jointly
by Hope College and Grand Valley State University in 2003-2004. Fourteen of the
fifteen sites studied showed no macroinvertebrate toxicity and were well within EPA
acceptable limits for both organics and heavy metals. However, one site showed
elevated levels of lead and polycyclic aromatic hydrocarbons (PAHs) both above the
EPA probable effect limits. This initially indicated a leaking underground gasoline
storage tank or just a long history of fuel spills. An extensive study in 2005-2006 by Dan
Tobert and Julissa Pabon at Hope College further examined the geographical extent of
the lead and PAH sediment contamination. Now six years later, the same location was
revisited to determine if the PAH and lead contamination has grown, decreased, or
remained the same. A modified EPA solid-liquid extraction procedure for PAHs was
employed and a Gas Chromatograph/Mass Spectrometer was used to identify and
quantify PAHs extracted from sediment samples. Microwave assisted acid digestions
and Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES) was used to
determine lead and other heavy metal concentrations in the sediment samples. By
comparing these results to the data collected six years earlier along with the ratio
between various PAHs, it was possible to identify the source of pollutants to be
pyrogenic and not petrogenic in origin.
CHED 641

Heavy metal remediation using tea waste: A comparative study


Yshua Rodriguez, yrodriguez@jsu.edu, Nixon Mwebi.Physical and Earth Sciences,
Jacksonville State University, Jacksonville, AL 36265, United States
Heavy metal remediation is a global endeavor due to the numerous hazards caused by
the toxicity of the heavy metals in the environment. Increased industrialization has lead
to a widespread use of heavy metals resulting in contamination of waters by these toxic
metals from the industrial discharge. The toxicity of heavy metals has not only been
linked to increased damage of organs such as the kidney or liver but also to the
promotion of neurodegenerative disorders and cancer. This has made the removal of
the heavy metals and their immobilization a global environmental concern.
The uptake of heavy metals by various natural substances has found increased use.
The use of tea waste from domestic and factory sites for heavy metal adsorption or
remediation use has gained popularity in recent past. This is partly due to the fact that
use of tea waste not only helps remediate the toxic waste it also puts into use the
increasing amounts of the waste biomaterial. In this study, the ability of tea waste from
local restaurants and vendors to uptake heavy metals such as lead, chromium and
cadmium was investigated using both the batch and column experimental setups. Our
findings indicate that the ability of the tea waste to adsorb the heavy metals depended
on both the type and concentration of the heavy metal. This effect was evident in both
the batch and column studies but was more evident in the latter experiments.
CHED 642
Investigation of pharmaceutical pollution of surface water in Georgia
Nathan Potter, nathan.potter@bobcats.gcsu.edu, Catrena Lisse.Department of
physics, Chemistry, and Astronomy, Georgia College and State University, Milledgeville,
Georgia 31061, United States
A collaborative group of chemistry and environmental science undergraduate students
at Georgia College and State University is investigating the presence of
pharmaceuticals in local water. Xenoestrogens are synthetic compounds that mimic the
hormone estrogen when introduced to the human body. These compounds can be
present in human waste after the consumption of pharmaceuticals, which leads to the
contamination of sewage. Although the sewage is treated by a sewage treatment plant
there is little to no treatments for xenoestrogens leaving the compounds nearly
untouched. Once the sewage treatment water is released the xenoestrogens may
contaminate surface water areas such as lakes and rivers. This project focuses on
testing various surface water areas in middle Georgia for xenoestrogens due to human
waste and comparing the results with EPA standards. The presentation summarizes the
methods and results of the collaborative group findings.
CHED 643

Analysis of variations in total trihalomethane (TTHM) levels in drinking water


Lori Siburt, jcoffield@wju.edu, James E. Coffield.Department of Chemistry, Wheeling
Jesuit University, Wheeling, WV 26003, United States
Water treatment facilities are required to test drinking water for total trihalomethanes
(TTHM). TTHM's are made up of four halogenated organic compounds:
trichloromethane (chloroform), bromodichloromethane, dibromochloromethane, and
tribromomethane (bromoform). According to the US EPA, long-term exposure to
elevated levels of these compounds may cause damage to the liver, kidneys, or central
nervous system and may increase the risk of cancer. One source of TTHM's is the
interaction between organic matter and the chlorine used to disinfect the water.
Seasonal variations in the level of chlorine use as well as natural and anthropogenic
environmental factors may influence the levels of TTHM's. This study is investigating
long-term variations in TTHM's based on EPA method 524.2 Measurement of
purgeable organic compounds in water by capillary column gas chromatography / mass
spectrometry.
CHED 644
Degradation of the antidepressant venlafaxine in aerobic municipal wastewater
sludge
Cody Staebler1, cstaebler13@wooster.edu, Stephanie S Strand2, Melissa M
Schultz1. (1) Department of Chemistry, The College of Wooster, Wooster, Wooster
44691, United States (2) Department of Biology, The College of Wooster, Wooster, OH
44691, United States
Public and regulatory interest regarding the presence of pharmaceuticals and personal
care products (PPCPs) in the environment is increasing. Wastewater treatment is the
primary route of PPCPs into the environment. Within wastewater treatment there are
many routes by which chemicals are transformed; however, biodegradation due to the
metabolic activities of microorganisms during the treatment process is the predominant
route of PPCP breakdown. Consequently, it may be possible to decrease the amount of
PPCPs entering the environment by augmenting WWTPs with microbes capable of
more efficiently degrading these molecules. To establish a model system for exploring
the biodegradation of PPCPs, initial studies investigated the degradation of the widely
prescribed antidepressant venlafaxine. Microcosms containing aerobic sludge were
spiked with deuterated venlafaxine.Two venlafaxine metabolites were observed as early
as day 2 of the microcosm experiment. Bacterial community composition shifts in the
sludge will be determined by DGGE (Denaturing Gradient Gel Electrophoresis).
CHED 645
Comparison study of volatile components extracted from Rhizophora mangle L.
bark, leaves and roots in Biscayne Bay, Florida

Kristel Sanchez, ksanc023@fiu.edu, Patricia Altagracia Santana, psant005@fiu.edu,


Kyle Wicomb, Naomi Pierre, Joyce Louis, Mayra Exposito.Chemistry, Florida
International University, Biscayne Bay Campus, North Miami, Florida 33181, United
States
Essential oils were extracted from different parts of Rhizophora mangle L. to compare
the different compositions of their volatile components. Isolation and characterization of
these chemicals was performed by steam distillation, gas chromatography and Infrared
Spectroscopy. Kinetic analysis was performed using UV-Vis spectrophotometer with
emphasis on the bark extractions due to their biochemical properties. Extractions were
performed on each of the parts selected for this study with solvents with different
polarities. Preliminary findings on the characterization of the chemical components
across the different parts of Rhizophora mangle L. showed varying levels of
composition, with manool being present at a high percentage in the bark extracts.
Manool's oxidation reaction was studied using ceric ammonium nitrate reagent. We
hypothesize that this oxidation reaction is of great biomedical importance for human
welfare; previous research has shown that manool and its derivatives have inhibitory
properties that could be beneficial for human health.
CHED 646
Brazilian pepper: An invasive tree in the South Florida Everglades with beneficial
properties for human health
Shantell Rolle, sroll009@fiu.edu, Patricia Santana, psant005@fiu.edu, Gabriela
Tarnay, Mayra Exposito, Maria Cristina Del Sol, Nashua Wisdom.Arts and Sciences,
Florida International University, Biscayne Bay Campus, North Miami, Florida 33181,
United States
The ornamental plant Brazilian pepper invades aquatic and terrestrial habitats, reducing
the quality of native South Florida biotic communities. The isolation and characterization
of the essentials oils from the fruits, leaves and bark was done to study the nature of
their properties and actions. Following the extraction by simple steam distillation, the
oils were isolated using a Green Technique based on the freezing points of the
substances. Characterization of the major components involved GC, Infrared, and
Refractive Index. Targets molecules were modeled using SPARTAN Software
calculating its electronic and molecular properties. Chemical differences were found in
the essential oils of the seeds, leaves and bark. Brazilian pepper is known worldwide for
its diverse ethnobotanical properties, such as wound healing, larvae control for the
Aedes aegiptis mosquito, and antioxidant properties. Future research may prove that
utilizing this abundant invasive species as a resource could benefit both human health
and the environment.
CHED 647

Quantitative study of the effect of humic acids on spectrophotometric analysis of


Hg(II) using dithizone
Zachary Andreasen1, sigzach@gmail.com, Hong Zhang1, Stephen Okine1, Baohua
Gu2. (1) Department of Chemistry, Tennessee Technological University, Cookeville, TN
38501, United States (2) Environmental Science Division, Oak Ridge National
Laboratory, Oak Ridge, TN 37831, United States
Our previous research showed that humic substances may affect spectrophotometric
analysis of environmental samples of Hg(II) using dithizone, which has thio-groups of
high affinity for Hg(II). We did a follow-up study to quantify this effect using Acros humic
acid (ACHA) and Aldrich humic acid (ADHA) and model organic acids (oxalate and
cysteine). Our study shows that both ACHA and ADHA can decrease the sensitivity of
the Hg(II) analysis (Hg(II) calibration curve slopes) linearly within 20-80 ppm of the HAs,
but at 100 ppm, ADHA causes more decrease than ACHA. Oxalate shows a very mild
effect over 20-100 ppm. Cysteine shows no effect below 1 ppm, but significantly
decreases the Hg(II) calibration curve slopes linearly at 1-3 ppm and completely inhibits
binding of dithizone to Hg(II) above 3 ppm. These results further indicate that the thiogroups in the HAs are responsible for the effect of the HAs on the Hg(II) analysis.
CHED 648
Effects of light, pH, sea-salt and calcium concentration on the development and
growth of red mangroves, Rhizophora mangle, in a controlled environment
Gabriela Tarnay, gtarn001@fiu.edu, Patricia Santana, Mayra Exposito.Chemistry,
Florida International University, Biscayne Bay Campus, North Miami, Florida 33181,
United States
The research of the effects of the light, pH salinity and calcium concentration on the
developments and growth of the red mangrove (Rhizophora mangle) living seeds or
propagules was performed in a controlled environment. The aim of this study was to
determine how abiotic factors interact and affect the development of the Rhizophora
mangle propagules. Propagules were placed in tanks with different salinity, calcium and
light conditions in a total of 16 replicas. During the experiment, pH, calcium
concentration, salinity, temperature and shoot length were monitored on each replica at
weekly basis for six months. The pH was found to be independent of the salinity.
Propagules growth (shoot length) had a direct correlation with salinity and calcium
concentration in calcium-treated replicas (light and shade) during this study. Mesohaline
conditions with low to medium salinity concentration enhanced the growth.
CHED 649
Optimization of expression of nitrobenzene dioxygenase reductase

Austin Laroche, adl35544@bethel.edu, Matthew Neibergall.Department of Chemistry,


Bethel University, St. Paul, MN 55112, United States
Nitroaromatic compounds are commonly used in pesticides, dyes, and explosive. When
disposed of improperly, these compounds can be released into the environment acting
as mutagens and pollutants. This is especially harmful because the stability of the
benzene ring allows the nitroaromatic compound to resist oxidation. The bacteria
Comamonas has proven capable of catalytically degrading nitrobenzene to catechol
through the use of a multicomponent nitrobenzene dioxygenase (NBDO). Past research
has successfully cloned NBDO genes into an E. coli vector which allows for more
efficient cellular growth and protein expression. The purpose of this work is to seek to
optimize conditions for growth of E. coli with our NBDO cloning vector present and to
maximize the expression and isolation of nitrobenzene dioxygenase reductase (NBDR).
This will be an important step in determining the overall reaction mechanism of the
Rieske dioxygenase enzyme found in Comamonas. Some variables that will be tested
are time of bacterial growth, medium formulation, temperature, and IPTG
concentrations.
CHED 650
Re(VII) reduction in the presence of sorbed Fe(II): Plausible removal pathway in
suboxic porewaters
Clayton T Wagner, clayton.wagner@mnsu.edu, Paul J Yanez, Megan M Maloney,
Trent P Vorlicek.Department of Chemistry and Geology, Minnesota State University,
Mankato, MN 56001, United States
Re deposition is generally thought to involve reduction. Unfortunately, the pathway to
Re removal remains unclear. Authors purport Re sequestration begins in suboxic
(absence of oxygen and sulfide) environments; others produce evidence supporting
removal under anoxic (presence of sulfide) conditions. This research aims to clarify
such issues by positing a plausible pathway to Re fixation in suboxic sediments. While
reduction of Tc(VII) is known to be strongly favored in the presence of alumina-sorbed
Fe(II), analogous behavior for Re(VII) has not been established. Preliminary glovebox
experiments involve reacting 10 M ReO4- at pH=7.0 in the presence of 100 M Fe(II),
hydrated -alumina, or hydrated -alumina previously exposed to 100 M Fe(II). At
various times, aliquots of test solutions are filtered (0.45 m) and ReO4- quantified using
reverse phase ion pair chromatography with suppressed conductivity detection. For
comparison, similar experiments involving Mo(VI) (MoO42-) will also be performed and
presented.
CHED 651
Ion exchange chromatography techniques for determination of rare earth
elements in ultramafic rocks

Matthew H. Pittman, mpittman@my.centenary.edu, Scott Vetter.Chemistry, Centenary


College of Louisiana, Shreveport, Louisiana 71104, United States
The abundance and elemental ratios of the rare earth elements (REE) are used as
indicators of the petrogenesis of rocks. Typical basaltic rocks have REEs in ppm
abundances. Ultramafic igneous rocks have extremely low concentrations of the REE at
or near the detection limit of the ICP-MS. Ion-exchange columns have been used to
remove unwanted elements thereby concentrating REEs so they can be detected by the
ICP-MS without additional dilution. Exchange columns consisted of a 30 mL beaker with
a conical bottom that was welded to 30 cm long, quarter-inch diameter Teflon tubing.
Twenty-one cm of 50Wx8 cation exchange resin (200-400 mesh) was placed in the
columns for all extractions. Samples were dissolved in HNO3 and HF, dried; redissolved
in HCl, and loaded into the column. The first 70 mL of eluent gave >99% of the REEs
were captured off the column.
CHED 652
Fluorescence characterization of chromophoric dissolved organic matter
produced by bacteria in the North Atlantic Subtropical Gyre
Thomas Kinsey1,2, tpkinsey@email.shc.edu, Natasha McDonald2, Rachel
Parsons3. (1) Undergraduate Department of Chemistry, Spring Hill College, Mobile,
Alabama 36608, United States (2) Bermuda Bio-Optics Project, Bermuda Institute of
Ocean Science, Ferry Reach, St. George's GE01, Bermuda (3) Molecular Marine
Biology, Bermuda Institute of Ocean Science, Ferry Reach, St. George's GE01,
Bermuda
The chromophoric fraction of dissolved organic matter (CDOM) is a major component in
the regulation of the oceanic underwater light field, affecting the amount of solar
radiation available throughout the water column for primary producers, and creating
developmental issues for remote sensing of water color as a proxy for phytoplankton
abundance. One challenge in characterizing the global CDOM pool has been identifying
individual chromophores and the manner in which CDOM composition changes, based
on spatial and temporal variability. Evidence has suggested that a large fraction of the
CDOM pool is derived from terrestrial matter; however, microbial production of CDOM
has also been demonstrated. Here we pose the question of whether these various
sources of CDOM differ in chromophoric composition. The CDOM absorption spectrum
allows for a quantitative measurement of CDOM concentration, but tells little about the
individual molecules making up the oceanic CDOM pool. However, fluorescent
characteristics of CDOM can provide more insight into identifying molecules or groups
of molecules within this CDOM pool. In this experiment, water from the Bermuda
Atlantic Time Series site in the North Atlantic Subtropical Gyre was incubated to allow
bacterial production of CDOM. Samples were taken at various time points throughout
the incubation and analyzed via spectroscopic methods including UV/VIS absorbance
and 3D excitation/emission matrix spectroscopy (EEMS) to investigate CDOM
abundance and to characterize fluorescence of individual chromophores within the

CDOM sample. These measurements were taken in conjunction with total bacterial
abundance and dissolved organic carbon (DOC) measurements to correlate with CDOM
production.
CHED 653
Multidimensional fractionation and mass spectral characterization of Suwannee
River fulvic acid
Codey B Henderson, cbh801@jagmail.southalabama.edu, Alexandra C.
Stenson.Chemistry, University of South Alabama, Mobile, Alabama 36688, United
States
Previously, we separated aqueous humic substances through a phenyl reversed-phase
chromatography column into 100 fractions, which were then analyzed through mass
spectrometry (including tandem mass spectrometry and H/D exchange). The data
revealed early eluting material is highly oxidized; late eluting material retains more
characteristics of precursor molecules. Here, further fractionation of early, mid, and late
eluting fractions through a Sielc Obelisc column in tandem with two Ni2+ IMAP columns
(stripped then un-stripped) will be performed. Previously noted contamination from nonhumic peaks will be addressed by increasing the amount re-fractionated through the
second stage and identifying non-humic contaminants and their source. Once the
additional fractionation has been optimized, fraction will be analyzed through mass
spectrometry to further elucidate compositional differences. The elucidation is an
important step forward in the structural characterization of humic substances and the
ability to use, reproduce, or manipulate humic substances to environmental, chemical,
or pharmacological benefit.
CHED 654
Microbial diversity of the deep subsurface: Characterization and identification of
thermophiles
KaNesha Gillyard1,2, kgillya@gmail.com, Abidemi Ojo2, Esta van Heerden2. (1)
Department of Chemistry, Spelman College, Atlanta, GA 30314, United States (2)
Department of Microbial, Biochemical and Food Biotechnology, University of the Free
State, Bloemfontein, South Africa
Previous phylogenetic studies have shown high abundance of thermophiles in extreme
environments. In addition, 16S ribosomal RNA libraries have confirmed the presence of
the thermophiles in the South African deep mines. Culture-dependent and cultureindependent methods were used to analyze the microbial diversity of the deep mine
community. Therefore, we attempted to characterize and identify thermophiles from the
soil and to conduct biodiversity studies of fissure water collected from the deep mine
using culture-dependent and culture-independent techniques, respectively. Isolation
relied heavily on bacteria cultivated in rich media and identification of the pure isolates

using a molecular approach. Preliminary results obtained suggest a diversified bacterial


environment in the soil with the presence of both Gram positive and Gram negative
bacteria. Furthermore, the microbial biodiversity studies of the fissure water sample
solely based on denaturing gradient gel electrophoresis method suggests the presence
of eukarya and bacteria, and possibility of the absence of archaea. As thermophiles
have been known to demonstrate great importance in revolutionary global technology,
the isolation and identification of thermophiles conducted in this study may be relevant
to future revolutionary publications.
CHED 655
Speciation, photophysical, and chiroptical properties of europium(III)-tetracycline
species
Kirandeep K. Deol, gilles1@mageos.com, Gilles Muller.Department of Chemistry, San
Jose State University, San Jose, CA 95192-0101, United States
Tetracycline (TC) is a commonly used antibiotic that prevents the growth and spread of
bacterial infections and treats acne. The biological action of TC is known to inhibit
protein synthesis in bacteria; however, the chemical behavior of TC is not completely
understood. Studies have shown that TC can exist in various species and
conformations depending on the environment present. TC speciation depends on the
effects pH, metal ions, and solvents have, so our goal in this research project will be to
understand how these effects affect the structure, species, photophysical and chiraloptical properties of TC.
A complete study of the species formed and its conformation in relation to the metal ion,
solvent, and pH was envisaged using steady-state luminescence, time-resolved
luminescence, and 5D0 7F0(Europium, or Eu) excitation spectroscopy. In addition to
this study, we applied the circularly polarized luminescence (CPL) measurement to
understand how the conformational speciation of tetracycline reflects the chiral
structural changes with the emitting lanthanide metal, Eu(III).
These various measurements confirmed the presence of three different TC species in
solution, TC (pKa1 = 3-4), TC- (pKa2 = 7.3-8.1), TC2- (pKa3 = 8.8-9.8). Each TC species
has the capability of forming a unique complex with the Eu (III) metal ion, which was
determined through the use of CPL. We have shown that the change in pH of each
solution favors the formation of certain TC species that act as a fingerprint to indicate
the structural changes to the chiral-optical properties of each Eu (III) TC species.
CHED 656
Investigation of the photophysical and chiroptical properties of Eu(III), Tb(III), and
Gd(III) complexes with a derivative of dipicolinic acid

Jacob M. Schekman, gilles1@mageos.com, Joey Nguyen, Gilles Muller.Department of


Chemistry, San Jose State University, San Jose, CA 95192-0101, United States
Lanthanide metals, once thought of as rare material, have become an increasing
interest in Inorganic Chemistry. From catalyzing petroleum to intensifying stadium
lighting, or in the case of this project, identifying the chirality of surrounding molecules in
a solution, lanthanides have become a widely used material.
We hypothesize that our ligand of interest, a derivative of dipicolinic acid, will result in
the formation of triple-helical complexes and lead to stable chiral emitting species on the
luminescence time scale. We also hypothesize that if the intermolecular interactions
between a chiral molecule and the lanthanide(III) complex are stronger for one
enantiomer than another, then there should be a measurable shift in the racemic
equilibrium of the complex using the circularly polarized luminescence (CPL)
spectroscopy where the difference in the emission of left and right circularly polarized
light is monitored. We also resorted to the 5D07F0(Eu) excitation spectroscopy to study
the speciation of the Eu(III):ligand complex solution, and steady-state and time-resolved
luminescence measurements were conducted to determine the efficiency of the energy
transfer from the ligand to the lanthanide(III) ions.
These various measurements confirmed an efficient ligand-lanthanide(III) energy
transfer, but a weak metal-centered luminescent quantum yield due to an incomplete
intersystem-crossing-transfer. It has also been found that aromatic p-stacking and
hydrogen bonding interactions are the main contributors to effective perturbation of our
racemic D3 Eu(III) complex. This work confirmed that our lanthanide(III) complexes, with
the use of CPL, can be employed to determine the molecular structure of various chiral
luminescent species.
CHED 657
Synthesis of novel magnetic anisotropic single-molecule magnets
Jacob C Lutter, cmzaleski@ship.edu, Curtis M Zaleski.Department of Chemistry,
Shippensburg University, Shippensburg, PA 17257, United States
In order for a material to function as a single-molecule magnet (SMM) it must be able to
remain in a particular spin state, which is only possible if there is an energy barrier
between the up and down states. The energy barrier is related to the temperature at
which the magnet can operate and store data. For a SMM the energy barrier is equal to
|D| x S2, where D is the magnetoanisotropy and S is the spin state. Thus, the goal of
SMM research is to produce an energy barrier of sufficient height that the molecule is
able to store information at room temperature. The goal of the proposed research is to
design a molecule that possesses a large spin value but is also asymmetric. The metals
to be explored include manganese, iron, cobalt, and chromium.
CHED 658

Structure and characterization of a manganese 15-MC-5


Benjamin R Tigyer1, cmzaleski@ship.edu, Matthias Zeller2, Curtis M Zaleski1. (1)
Department of Chemistry, Shippensburg University, Shippensburg, PA 17257, United
States (2) Department of Chemistry, Youngstown State University, Youngstown, OH
44555-3663, United States
Metallacrowns are a class of coordination compounds that are inorganic analogs to
crown ethers. While a crown ether possesses the repeat unit of carbon-carbon-oxygen,
a metallacrown possesses the repeat unit of metal-nitrogen-oxygen. Most
metallacrowns can encapsulate metal ions within the cavity made by the [M-N-O] ring.
In an attempt to synthesize novel metallacrowns, the metallacrown MnII(Fm)2[15MCMn(III)N(shi)-5](Im)5 [where shi3- = salicylhydroximate, Fm = formate, and Im =
imidazole] was synthesized and characterized by X-ray diffraction and infrared
spectroscopy. The compound crystallized in the monoclinic space group P 21/c with a =
13.2053(12) angstroms, b= 24.621(2) angstroms, c= 21.491(2) angstroms, alpha= 90
degrees, beta= 101.8610(10) degrees, gamma= 90 degrees, V=6838.0(11) angstroms3,
and Z= 4. In addition, the imidazole molecules and carboxylate groups will be
substituted with other derivatives that will hopefully be added to the MnII(X)2[15MCMn(III)N(shi)-5] molecule, where X = carboxylate anion.
CHED 659
Synthesis and spectroscopy of 15N-labeled bis(trispyrazolylborate)cobalt(II)
Jami R Bennett1, Bennet11@muohio.edu, Tyler S Hageman2, David L Tierney1, Robert
M McCarrick1. (1) Department of Chemistry and Biochemistry, Miami University,
Oxford, Ohio 45056, United States (2) Department of Chemistry, MidAmerica Nazarene
University, Olathe, KS, United States
The 15N-labeled congener of bis(trispyrazolylborate)Co(II) was prepared using 15Npyrazole that was synthesized from 15N-hydrazine sulfate and tetramethoxypropane.
Pulsed EPR (ENDOR and ESEEM) of both the natural abundance (14N) and isotopically
labeled (15N) compounds will be presented. These are among the first successful pulsed
EPR studies of a high-spin Co(II) complex, and the data provide a clear path toward
understanding the nature of bonding in this historically important complex.
CHED 660
Carbonic anhydrase as a model for matrix metalloproteinase inhibition
Tessa M. Woodruff, woodrutm@muohio.edu, Amy R. Marts, Anthony A. Forchione,
Justin M. Chu, David L. Tierney.Department of Chemistry and Biochemistry, Miami
University, Oxford, Ohio 45056, United States

Carbonic anhydrase (CA) is being used to model matrix metallproteinases (MMPs), as


both are zinc-dependent enzymes that bind to zinc in a His3(OH) environment. CA is
being used to screen potential zinc chelators, such as maltol, thiomaltol,
acetohydroxamate and benzylacetohydroxamate, via spectroscopic examination of their
binding to Zn-CA and cobalt substituted CA, using optical spectroscopy. More detailed
spectroscopy of the Zn- and Co-containing enzymes is being used to examine their
binding modes.
CHED 661
Synthesis and purification of H2TPP and its metal complexes analyzed through
NMR and fluorescence spectroscopy
Brianna A Hill, Lia_MD91@student.fdu.edu, Ronald Strange.Department of Chemistry,
Fairleigh Dickinson Univeristy, Madison, New Jersey 07940, United States
We have investigated the optical fluorescence and absorption properties of several
tetraphenylporphine (TPP) bases and their metal complexs. The fluorescence spectra
are reported. The kinetics of metal insertion into the TPP base was studied by
fluorescence and by NMR. In addition, the synthesis of several TPP derivatives under
mild conditions were carried out using a deutero acid to establish the source of protons
in the adduct.
CHED 662
Synthesis of a platinum(II) dithiolene building block with labile diimmine ligands
Jacob B. Smith, bsmucker@austincollege.edu, Paul J. Derry, Bradley W.
Smucker.Department of Chemistry, Austin College, Sherman, Tx 75090, United States
In our quest to synthesize and characterize light-harvesting building-blocks utilizing
diimmine platinum(II) dithiolene complexes, we report the synthesis and
characterization of cis-(pz)2Pt(mnt) (mnt = maleonitriledithiolate, pz = pyrazine).This
building-block exhibits light-absorbing and redox properties as well as possessing
relatively labile monotopic pyrazine ligands. The exchange of pyrazine with a variety of
bridging immine ligands is utilized in the syntheses of new building-blocks with greater
stability and more desirable redox and light-harvesting properties for use in the selfassembly of supramolecular squares and model complexes.
CHED 663
Magnetic susceptibility of iron and cobalt spin crossover compounds in solution
Daniel P. Baker, bakerdp@muohio.edu, Amy R. Marts, David L. Tierney.Department of
Chemistry and Biochemistry, Miami University, Oxford, OH 45056, United States

Spin crossover (SCO) complexes are of interest for potential applications in quantum
computing. The SCO phenomenon involves a change of spin state in response to an
external perturbation such as change in temperature; the compounds of interest show
hysteresis in their solid state susceptibilities. To help understand the structural features
that govern this process, we are examining the solution behavior of these systems.
NMR relaxation measurements, illustrating the physical magnetic relaxation process,
will be correlated with Evans susceptibility measurements, on a series of Fe and Co
SCO complexes.
CHED 664
Chromium(3+) binds rapidly to transferrin in the presence of physiological
bicarbonate concentrations
Kristi Wu, wy.kristi@gmail.com, Ge Deng, Bin Liu, John B Vincent,
jvincent@bama.ua.edu.Department of Chemistry, The University of Alabama,
Tuscaloosa, AL 35487-0336, United States
Transferrin, the major iron transport protein in the blood, also transports trivalent
chromium. In aqueous buffer (with ambient (bi)carbonate concentrations), the binding of
chromium to transferrin is slow, taking days to reach equilibrium and too slow to be
physiologically relevant. However, in the presence of 25 mM (bi)carbonate, the
concentration in human blood, chromic ions bind rapidly and tightly to transferrin.
Details of the kinetics of chromium binding to human serum transferrin and conalbumin
(egg white transferrin) in the presence of bicarbonate and other major potential
chromium ligands in blood will be presented.
CHED 665
Investigating the effect of steric bulk on the catalytic activity of substituted tin(II)
chlorides in the esterification of a free fatty acid
Emily A Benton, ebenton8@naz.edu, Richard W Hartmann.Department of Chemistry
and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Recent work in our group has shown tin(II) halides to be effective Lewis acid catalysts
for the esterification of a free fatty acid (FFA) with an unusual pattern of reaction rates
(I> Br> Cl >F). To confirm that this effect is due to steric bulk, substituted tin(II) chlorides
of the form SnCl2X2 (X= Me, Et, t-Butyl) were used as catalysts under the same reaction
conditions as the original halides. Reaction rates for the substituted halides follow a
similar trend (t-Buytl> Et > Me). We present here the methods used to obtain and
analyze our data, our potential mechanisms of this reaction, and our planned future
work.
CHED 666

Synthesis of tin (II) halide-phosphine complexes and characterization via 119Sn,


31
P, and 19F NMR spectroscopy
Briana Laubacker, blaubac0@mail.naz.edu, Richard Hartmann.Department of
Chemistry and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Recent work in our labs has shown SnX2 (X = F, Cl, Br, and I) to be effective Lewis acid
catalysts for the methylation of oleic acid. The results show a clear trend in reaction
rates, with SnI2 being the best catalyst and SnF2 the worst. However, we are unable to
determine if this result is due to changes in electron density at the metal center, or the
steric bulk introduced by the halide ligands. In an effort to systematically modulate the
electron density on the tin center we have undertaken the synthesis of several
phosphine derivatives of each tin (II) halide using the following phosphines:
triphenylphosphine, tris(4-chlorophenyl)phosphine, tris(4-fluorophenyl)phosphine, tris(4methoxyphenyl)phosphine, tri(p-tolyl)phosphine, 1,2-bis(diphenylphosphino)ethane, and
trioctylphosphine. 119Sn, 31P, and 19F NMR studies verify the formation of several novel
compounds and this poster will discuss the interpretation of these spectra and the
possible identity of the compounds that were formed.
CHED 667
Activation energy determination for the esterification of free fatty acids in oleic
acid for biodiesel synthesis using Lewis acid tin (II) iodide
Kristin Nichols, knicho67@mail.naz.edu, Richard Hartmann.Department of Chemistry
and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Biodiesel is a readily produced and commonly used alternative fuel source. Biodiesel
can be synthesized from renewable resources, such as used cooking oil, through
esterification of free fatty acids (FFA) or tranesterification of triglycerides. Because used
oils are often contaminated with FFA's we have chosen oleic acid as a model system for
investigating reactions that convert FFA into methyl esters. An acid catalyst is used to
treat the FFA's and create fatty acid methyl esters (FAME). Tin halides are common
Lewis acid catalysts and are readily available. Preliminary results show that the rate
constants for these reactions fit the following trend: SnF2 < SnCl2 < SnBr2 < SnI2,
monitoring the reaction progress using 1H NMR. Based on these results, we have
undertaken a series of experiments to determine the activation energies of the
reactions. This poster will present my methods and results on the use of tin (II) iodide to
catalyze the methylation of oleic acid.
CHED 668
Activation of CO2 by zinc--diketiminate complexes
Joshua A. Goodner, jgoodner1@cub.uca.edu, Lei Yang.Department of Chemistry,
University of Central Arkansas, Conway, Arkansas 72035, United States

CO2 is one of the most important greenhouse gases and a potential low cost carbon
source for both commodity chemicals and complex organic molecules. Therefore,
activation of CO2 is not only a significant environmental issue, but also has a great
impact in industry level. In recent years, the significant interests in conversion of CO2 by
transition metal complexes to value-added products have been continuously increasing.
In this project, we focus on the activation of CO2 by zinc-alkyl complexes supported by
-diketiminate ligand platform. Zinc complexes have been synthesized and
characterized by NMR, X-ray crystallography, IR and mass spectrum. Interesting
reactivities of these complexes with CO2 have been observed in NMR studies.
CHED 669
Synthesis and characterization of dynamic porous coordination polymers
(DPCPs) supported by amide ligands
Ethan P. McMoran, emcmoran1@cub.uca.edu, Pyi Thein Kyaw, Lei Yang.Department
of Chemistry, University of Central Arkansas, Conway, Arkansas 72035, United States
Guest-host chemistry of small gas molecules, such as H2, N2 and CO2, with dynamic
porous coordination polymers (DPCPs) has attracted considerable attention due to the
high selectivity and efficiency of these materials. In pursuit of new generation of DPCPs,
we synthesized a series of organic ligands functionalized with amide groups, which are
expected to significantly improve the flexibility of the framework and improve the
interaction between guest molecules and the host surface. Transition metal compounds
with various nuclearity have been prepared and characterized by X-ray crystallography,
IR, UV-vis, mass spectrum and elemental analysis. The interesting structural and
spectroscopic features of these complexes will further enhance the understanding of
ligand design and polymer construction, which are major contributors for adsorption
properties of DPCP materials.
CHED 670
Construction of low-coordinate iron-sulfur clusters supported by bidentate
guanidine ligands
Jamie D. Beck, jdb06005@uca.edu, Lei Yang.Department of Chemistry, University of
Central Arkansas, Conway, Arkansas 72035, United States
The iron-molybdenum cofactor (FeMoco) is the catalytic site of nitrogenase to fix
atmospheric nitrogen gas (N2). The high-resolution crystal structure of nitrogenase
showed that the belt iron atoms are four-coordinate at rest state. Recent studies
indicated the three-coordinate iron might be one of the transition states during catalysis.
Our project focuses on the construction of new low-coordinate iron-sulfur clusters
supported by bidentate guanidine ligands, which are super-bases with strong
coordination donors to metal centers. Two bidentate guanidine ligands were
synthesized and characterized by NMR, IR, mass spectrum and elemental analysis.

Iron compounds with the ligands have been prepared to react with sulfur source such as
S8, NaSH and Na2S. Further characterizations of these compounds are currently
underway.
CHED 671
Investigation of the kinetic isotope effect with tin(II) bromide for the esterification
of oleic acid
Nandini Singh, ysingh2@mail.naz.edu, Nicole Bayona,
nbayona7@mail.naz.edu.Chemistry, Nazareth College, Rochester, New York 14618,
United States
Biodiesel made from waste cooking oil is a popular substitute for petroleum diesel.
However, due to its high content of free fatty acids (FFA), waste oil must undergo an
initial acid catalyzed esterification. This process typically employs concentrated H2SO4
but we chose a milder Lewis acid, tin (II) bromide, as our catalyst. Our investigation is
part of a larger project which uses oleic acid as a model FFA, and the tin(II) halides
(SnF2, SnCl2, SnBr2, and SnI2) as catalysts. Our investigation primarily focuses on the
tin(II) halides SnCl2 and SnBr2, because previous research suggests that these two
halides are most appropriate for the methylation of oleic acid. Methanol-D was
substituted for methanol in order to assess the role of this species in the overall
mechanism. Through the use of NMR, we have determined that methanol-D does
eventually make methyl ester, but it takes substantially more time for the reaction to
occur and it also occurs best at 60C. Our investigation is done at 55C and 60C with
both the SnCl2 and SnBr2 halides compare the percent methyl ester created from the
different temperature of the two different tin(II) halides. This poster will present our
interpretation of the data, how it relates to potential mechanisms, involved in
determining the rate limiting steps and the broader impact for the series of tin(II) halides.
CHED 672
Rh(I) complexes of a non-innocent pincer ligand bearing thioether and Nheterocyclic carbene donors
Hannah L Cronk, hlc83056@huskies.bloomu.edu, Philip L Osburn.Department of
Chemistry and Biochemistry, Bloomsburg University, Bloomsburg, Pennsylvania 17815,
United States
Although numerous symmetrical pincer-type complexes based on N-heterocyclic
carbenes have been studied, unsymmetrical, mixed-donor NHC pincer complexes are
far less common. Our previous work with Pd(II) complexes of a pyridine-bridged mixed
thioether/NHC (SNC) pincer ligand has demonstrated some unique reactivity patterns
endowed by the hybrid, non-innocent ligand system. Expanding upon this work, we now
wish to describe the coordination chemistry of our SNC ligand toward Rh(I) and
preliminary reactivity studies of the resulting complexes.

CHED 673
How does the metal-metal distance influence the orbitals available for electron
transfer in organometallic wires?
Laurel E Howard, howardl@seattleu.edu, Charity Lovitt.Department of Chemistry,
Seattle University, Seattle, Washington 98122, United States
From a chemist's perspective, electron transfer in molecular wires is simply the
movement of electrons from an occupied molecular orbital (HOMO) to an unoccupied
molecular orbital (LUMO). In order to create an optimal molecular wire, it is necessary to
determine structures that encourage metal-metal electron transfer. Triple decker
sandwich complexes of the type M1M2(C5H5)3, where M1=Fe, Ru, Os and M2=Fe, Ru,
Os have been proposed as the smallest repeating subunits of molecular wires. Using
density functional theory (DFT) the M1-M2 distance was varied for each of the triple
decker molecule subunits to determine the relationship between M1-M2 distance and the
HOMO-LUMO gap. The energy difference between HOMO and LUMO varied from 4.2
to 4.5 eV based on the identity of the metals and decreased as the distance between
the two metals increased.
CHED 674
Quantifying the uptake of KP1019 in yeast cells
Kyle J Hoffman1, kjhoffma@bsc.edu, Pamela K Hanson2, Laura K Stultz1. (1)
Department of Chemistry, Birmingham-Southern College, Birmingham, AL 35254,
United States (2) Department of Biology, Birmingham-Southern College, Birmingham,
AL 35254, United States
Platinum based drugs have been used for years in the treatment of tumors, but these
drugs are less than ideal because of their toxicity. A search for other metal-based drugs
has led researchers to indazolium trans-[tetrachlorobis(1H-indazole)ruthenate (III)]
(KP1019), a novel ruthenium based drug. KP1019 has undergone phase I clinical trials
with no dose limiting toxicity. It has been shown that the drug inhibits cell growth,
damages DNA, and causes cell death in both cancerous and yeast cells. KP1019
uptake has been observed in mammalian cells, and the purpose of this study was to
show uptake in yeast. After a two hour incubation, yeast cells that were treated with
KP1019 showed measurable uptake of ruthenium as measured by atomic absorption
spectroscopy. This experiment supports the theory that yeast cells are an acceptable
model organism to study KP1019.
CHED 675

Chiral thiophosphoramides as ligands for gold(I) catalysis


Kelsey Mesa, kmesa3010@scrippscollege.edu, Anna Wenzel.Keck Science
Department, Scripps College, Claremont, CA 91711, United States
Thiophosphoramides provide us with the opportunity to design highly versatile ligands
for asymmetric catalysis. Monodentate thiophosphoramides can be better suited to
serve as ligands for gold(I) over the more conventionally used bisphosphine ligands, as
bisphosphines have the potential to create undesired side products due to the reactivity
of phosphorus. In addition, the steric distinction provided by the tetrahedral geometry of
the phosphorus atom in a thiophosphoramide has the capacity to provide high
asymmetric induction. An effective, seven-step synthetic route towards the preparation
of these complexes will be discussed, as well as their application as catalysts to effect
the asymmetric hydroamination of alkenes.
CHED 676
Imine ligands appended to a polyethylene glycol framework
Lindsay C Wiener, l-wiener@onu.edu, Bradley M Wile, b-wile@onu.edu.Department
of Chemistry and Biochemistry, Ohio Northern University, Ada, OH 45810, United
States
Progress toward the synthesis of a series of new ligands featuring a PEG moiety is
described. These ligands are intended for use in supporting transition metal complexes
for aqueous-phase catalysis and recycling.
CHED 677
New redox-active ligands bearing phosphine donors
Nicholas S Cosgrove, n-cosgrove@onu.edu, Bradley M Wile.Department of Chemistry
and Biochemistry, Ohio Northern University, Ada, OH 45810, United States
Progress toward the synthesis of a series of new redox-active ligands bearing
phosphine moieties is described. These ligands, and their corresponding metal
complexes are compared to the known sulfide analogues PMTPM and PBTPM.
CHED 678
Lanthanide triple helical complexes with an aminodipicolinic acid derivative
Eliseo E. Quiroz, gilles1@mageos.com, Jacob M. Scheckman, Gilles
Muller.Department of Chemistry, San Jose State University, San Jose, CA 95192-0101,
United States

An organic ligand derived from the aminodipicolinic acid is complexed with three
different lanthanide ions, Eu(III), Tb(III), Gd(III), to form triple-helical complexes that lead
to chiral emitting species. We hypothesize circularly polarized luminescence (CPL)
spectroscopy will confirm the chiroptical activity of these complexes later. We will also
determine the stability constants for the different forms of the ligand:metal complexes
(i.e. 1:1, 2:1 and 3:1); most importantly the stability constant for the 3:1 complex. Direct
excitation spectroscopy was used to study the speciation of the Ln(III):ligand complex
solution, whereas the efficiency of the energy transfer from the ligand to the metal ions
was investigated using steady-state and time-resolved luminescence measurements.
An efficient ligand-lanthanide(III) energy transfer was confirmed with these
measurements, but a weak metal-centered luminescent quantum yield may be due to
an incomplete intersystem-crossing transfer. The stability constants were determined
through spectrophotometric titrations.
CHED 679
Tin(II) halides as catalysts for the methylation of oleic acid
Elana Tontarski, etontar6@mail.naz.edu, Richard Hartmann.Department of Chemistry
and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Although biodiesel is known to be an effective and environmentally sound replacement
for petroleum diesel, it has remained a marginal fuel because of high production costs.
The majority of this cost could be eliminated if high free fatty acid (FFA) waste oils were
employed as the starting material rather than virgin oils. Because these kinds of oils
require acid catalyzed pretreatment, we have been investigating a variety of mild Lewis
acids as replacements for the highly caustic and sulfur containing H2SO4 which is the
standard catalyst employed. Using oleic acid as a model FFA we have found SnX2 (X =
F, Cl, Br, and I) to be an effective catalyst for this reaction and have also observed an
interesting trend in reaction rates (I>Br>Cl>F). This poster will present our findings
along with a discussion of their significance and the unique use of 1HNMR to determine
the rates of these reactions.
CHED 680
Synthesis of metal-organic polymers using 4,5-imidazoledicarboxylate
Natalie Schieber2, natalie.p.schieber@vanderbilt.edu, Sydney Combs1, Raj Kishore
Vakiti1, Bangbo Yan1, Cathleen Webb1. (1) Department of Chemistry, Western
Kentucky University, Bowling Green, KY, United States (2) Vanderbilt University,
Nashville, TN 42701, United States
Metal organic polymers are a class of compounds composed of organic ligands
connecting metal ions. These compounds are valuable because of their large surface
area and porosity. The potential applications for these compounds include heavy metal
ion capture, carbon capture, and hydrogen fuel cells. We have synthesized four

compounds using a variety of organic ligands and metal ions. The ligands include 4,5imidazoledicarboxylic acid (IDC) and 1,3,5-benzenetricarboxylic acid (BTC). The metal
ions were supplied by calcium nitrate, calcium hydroxide, sodium hydroxide, and copper
chloride. Variables including ligand composition, time and temperature of heating, and
pH were adjusted. The structures of the compounds were obtained using single crystal
x-ray diffraction. Powder x-ray diffraction and IR spectroscopy have also been
performed for the sodium-IDC compounds.
CHED 681
Kinetics of formation of transition-metal halide complexes of di-2-pyridyl ketone
oxime
Michael Remesic, remesicmiv@my.ccsu.edu, Barry L. Westcott.Department of
Chemistry & Biochemistry, Central Connecticut State University, NEW BRITAIN, CT Connecticut 06050, United States
Several first-row transition metals were reacted with di-2-pyridyl ketone oxime (dpko) at
a 1:1 stoichiometric ratio at both a neutral pH and a pH <2. Novel complex formation
with both bromide and chloride ligands were observed and rates of formation were
monitored and determined by electronic spectroscopy. Novel complexes incorporating
Cu2+ and Ni2+ metal centers reacted nearly instantaneously regardless of coordinating
halide, although copper complexes were formed only at acidic pH. Complexes of Co2+
with dpko exhibited slower rates of reaction. Here we present the results of our kinetic
studies, along with characterization and proposed mechanisms of formation of the novel
complexes.
CHED 682
Systematic modification of electron density on a series of tungsten based Lewis
acid catalysts with minimal structural changes
Molly Kingsley, mkingsl1@mail.naz.edu, James Chambers, Richard
Hartmann.Department of Chemistry and Biochemistry, Nazareth College of Rochester,
Rochester, New York 14618, United States
The results of recent experiments in our group have shown that tungsten compounds
(WCl6 and WCl4(PPh3)2) are successful Lewis acid catalysts in the methylation of oleic
acid. While it is clear the oxidation state of tungsten influences the rate of reaction, we
are unsure of its specific role because both structural and electronic changes were
made. In an attempt to investigate the sole effect of electronic changes, we have
systematically synthesized a group of compounds of the general formula: WCl4(PPh3X)2 (X = H, F, Cl, O-CH3, and CH3, all in the para position). These compounds present a
scenario where no appreciable change to the structure has been made, yet the electron
density of tungsten is influenced from afar. We report here the synthesis, and

characterization of these compounds along with a 1H NMR study of their ability to


catalyze the methylation of oleic acid.
CHED 683
Synthesis and characterization of transition metal doped SnO2 and TiO2
Joshua S. Page, jhunting@ithaca.edu, Janet L. Hunting.Department of Chemistry,
Ithaca College, Ithaca, New York 14850, United States
New materials are needed to replace carbon black as the cathode support in proton
exchange membrane fuel cells. Tin(IV) oxide and titanium(IV) oxide were chosen as
host materials due to their low cost, acid resistance, and non-toxicity. SnO2 and TiO2
were doped with molybdenum, niobium, tungsten, tantalum and iron, with substitutions
of 540%, to form new compounds that maintain the rutile structure of the host material.
The new compounds, both singly- and multiply-doped, were synthesized by grinding
together powders in the correct stoichiometric ratios followed by heating to 9501100 C
for 6 days in sealed quartz tubes. The resulting powders were characterized using
single-crystal X-ray diffraction, X-ray fluorescence, resistivity tests and powder X-ray
diffraction.
CHED 684
Molybdenum- and tungsten-doped tin(IV) oxide compounds prepared by sol-gel
for PEM fuel cell cathode supports
Automm R. Lombardo, jhunting@ithaca.edu, Janet L. Hunting.Department of
Chemistry, Ithaca College, Ithaca, New York 14850, United States
Tin(IV) oxide is able to withstand the environment of a proton exchange membrane fuel
cell; however, SnO2 has a high resistance to electron flow and alone cannot be used as
an alternative cathode support. The rutile structure was doped with transition metals
(tungsten, niobium, molybdenum, cobalt, and iron) to improve conductivity. Synthesis
was performed with the sol-gel method, using metal isopropoxides as starting materials.
Sn0.7W 0.3O2, Sn0.7Mo0.3O2, Sn0.7W 0.2Mo0.1O2, Sn0.7W 0.2Nb0.1O2, Sn0.7W0.2Co0.1O2,
Sn0.7W 0.2Fe0.1O2, and Sn0.7Mo0.2Co0.1O2 were synthesized. These compounds were
characterized by powder X-ray diffraction, X-ray fluorescence, and resistivity and acid
tests.
CHED 685
Project SHArK at Suffolk University
Katharina Feister, kffeister@suffolk.edu, Blerta Milo, bmilo@suffolk.edu, Rachael A
Kipp, rkipp@suffolk.edu.Department of Chemistry and Biochemistry, Suffolk University,
Boston, MA 02114, United States

Due to their abundance, band gap size, and inherent stability, metal oxide
semiconductors seem to be a promising avenue to efficiently and inexpensively
photoelectrolyze water, producing hydrogen that could later be used as an energy
carrier. No one metal oxide semiconductor or combination of different metal oxides is
currently known to proficiently split water to generate hydrogen.
Due to the vast number of possible combinations, a distributed research project called
the Solar Hydrogen Activity Research Kit (SHArK) Project was created by Bruce
Parkinson (University of Wyoming), in order to mobilize many different schools to test
various metal oxide combinations for their effectiveness. The Suffolk University SHArK
group has collected data using the pipetting method. High precision has been obtained
across multiple users and sites. Preliminary results indicate that several metal oxide
combinations show increased photoelectrolysis activity.
CHED 686
Effect of dendritic and chromophoric ancillary ligands on the color-tuning and
efficiency of phosphorescent cyclometalated iridium (III) complexes
Emily F. Amond, emily.amond@email.stvincent.edu, Jason K. Vohs.Department of
Chemistry, Saint Vincent College, Latrobe, PA 15650, United States
The quickly advancing technology of organic light-emitting devices (OLEDs) and flat
panel displays requires new and better materials to increase their efficiency and the
spectrum over which they can be color-tuned. Phosphorescent iridium (III) complexes
have been shown to be effective in the fields of photochemistry and optoelectronics
because of their high quantum efficiency. Iridium (III) complexes were synthesized
which contained both dendritic and chromophoric ligands. In addition to the identity of
the chromophoric ligand, the effects of increasing dendrimer generations on the
complexes were studied. The complexes were characterized by 1H NMR spectroscopy,
and the photoluminescent properties of the complexes were measured by UV-vis and
fluorescence spectroscopy. The incorporation of both types of ligands into the
complexes was attempted as a way to expand the emitted color spectrum without
compromising the initial efficiency of the complexes, which could have a positive impact
on the further improvement of OLED displays.
CHED 687
Synthesis of a polymer bound copper-hydride catalyst
Liz A. Closurdo, lclosurd@butler.edu, Stacy A. O'Reilly,
soreilly@butler.edu.Department of Chemistry, Butler University, Indianapolis, Indiana
46208, United States
In the early 1990's a copper-hydride catalyst developed by Stryker and co-workers was
heralded as a major advancement in the conversion of a,b-unsaturated ketones to

saturated ketones. A polymer bound copper-hydride catalyst based on Stryker's reagent


has been synthesized. The polymer bound copper-hydride catalyst was used to convert
cyclohexanone to a silyl enol ether. The copper catalyst was removed from the reaction
mixture by filtration, isolated and reused.
CHED 688
Evaluation of possible electrocatalysts for the reduction of carbon dioxide and/or
protons utilizing cyclic voltammetry
Marryssa Russell, h20wonder@yahoo.com, Jean MacPetrie Ogden, Justin Edmonds,
Tad Schrader, David R. Weinberg.Department of Physical and Environmental Sciences,
Colorado Mesa University, Grand Junction, CO 81501, United States
Problems with storing solar energy efficiently have significantly limited its utilization. We
are addressing this issue through the search for inexpensive catalysts that could
efficiently combine solar electricity with carbon dioxide and/or protons to generate fuels.
These fuels could then be stored and burned for energy as needed. In order to find
electrocatalysts that can reduce carbon dioxide and/or protons at relatively positive
potentials, we are focusing on inexpensive, solution-phase organic molecules and
transition metal complexes that will likely transfer both protons and electrons
simultaneously. Possible catalysts are being tested using cyclic voltammetry in both
organic and aqueous solutions, and they are being evaluated based on the potentials
and currents involved in their reductions of carbon dioxide and/or protons.
CHED 689
Recent developments in the syntheses of a series of podand ligands utilizing the
amines: Diethylenetriamine, triethylenetetraamine, or spermine, and a variety of
functional aldehydes
Candice Kashat, benvenma@udmercy.edu, Chanel Pattah, Antoinette Mordi, Osama A
Elghondi, Hassan A Masloum, Mark A Benvenuto.Department of Chemistry &
Biochemistry, University of Detroit Mercy, Detroit, MI 48221-3038, United States
A series of ligands utilizing diethylenetriamine, triethylenetetraamine, or spermine, and
utilizing further functionality through the addition of aldehydes via Schiff's Base
condensations, have been synthesized. Each is a multi-dentate neutral molecule
containing a minimum of two nitrogen donor atoms and possibly two oxygen donor
atoms. Structural characterization has been predominantly by 1H and 13C nuclear
magnetic resonance spectroscopy. This, plus the metal binding capabilities of the
ligands, will be presented.
CHED 690

Use of 4,4'-diaminodicyclohexylmethane to form a series of multi-dentate ligands


and selected lanthanide metal complexes thereof
Shelby D Maurice, benvenma@udmercy.edu, Antoinette Mordi, Chanel Pattah, Alexis
Konja, Mustansir Hussain, Mark A Benvenuto.Department of Chemistry & Biochemistry,
University of Detroit Mercy, Detroit, MI 48221-3038, United States
A series of bis-bidentate ligands, each utilizing 4,4'-diaminodicyclohexylmethane
(DADCM), and a functional aldehyde, were generated through Schiff's base
condensations. Synthesis and characterizations of the ligands by NMR, and of selected
metal complexes of them via NMR and single crystal structure (where possible), will be
presented and discussed.
CHED 691
Use of 1,2-diaminocyclohexane as a synthon to form multi-dentate ligands, and
selected metal complexes thereof
Sarah Vella, benvenma@udmercy.edu, Mark A Benvenuto.Department of Chemistry &
Biochemistry, University of Detroit Mercy, Detroit, MI 48221-3038, United States
A series of tetra-dentate ligands, each utilizing 1,2-diaminocyclohexane, and a
functional aldehyde, were generated through Schiff's base condensations. Synthesis
and characterizations of the ligands by NMR, and of selected metal complexes of them,
will be presented and discussed.
CHED 692
Synthesis and structure of diacetyl-4,4-dimethyl-4'-methylbis(thiosemicarbazone)
with select transition metals
Max Thompson, thomso4@southwestern.edu, Willis Weigand.Department of
Chemistry, Southwestern University, Georgetown, Texas 78626, United States
Bis(thiosemicarbazone) complexes have shown a wide variety of uses over the past few
decades. A number exhibit strong anticancer capabilities, while others show
antileukemic properties. Others find use as imaging agents, and a recent development
presents the possibility of the use of a bis(thiosemicarbazone) complex in fighting
Alzheimer's disease. Diacetyl-4,4-dimethyl-4'-methylbis(thiosemicarbazone) is a
bis(thiocarbazone) that is frequently seen as an intermediate in the synthesis of more
complex ligands, and, as such, has been the subject of less investigation. This ligand
has been synthesized and reacted with a variety of transition metal ions. The resultant
complexes have been characterized through NMR and IR. Additionally, the crystals of
these metal-ligand complexes have been isolated and x-ray crystallography was
performed.

CHED 693
Studies of the microwave assisted borohydride catalyzed reaction of
rheniumpentacarbonyl halides with chelating phosphines
Kristina Martinez, kpmarti2@loyno.edu, Kurt R. Birdwhistell.Department of Chemistry,
Loyola University New Orleans, New Orleans, LA 70118, United States
We have studied the microwave assisted reaction of rhenium pentacarbonyl halides, ( X
=Cl, Br) with chelating phosphines. The reactions were catalyzed by borohydride and
heated by a microwave to rapidly form new rhenium carbonyl complexes under mild
conditions. The products were purified by column chromatography and characterized by
NMR, IR, and ES-MS. Details of the reaction and microwave parameters, and
spectroscopic results will be discussed.
CHED 694
Synthesis and characterization of cobalt(III) compounds for inorganic chemistry
laboratory manual
Amy Kloosterboer, aklooste@fau.edu, Evonne M Rezler.Department of Chemistry and
Biochemistry, Florida Atlantic University, Boca Raton, Florida 33431, United States
We have recently developed an Inorganic Chemistry Laboratory Manual at Florida
Atlantic University to provide undergraduate chemistry students the opportunity to learn
in a hands-on environment key concepts in coordination chemistry. This experiment
will incorporate different synthetic and analytical techniques with a discovery-based
focus on the study of coordination compounds, crystal field theory, the spectrochemical
series, and the counter ion effect. The students will synthesize three related cobalt
compounds and their respective geometrical or optical isomers. They will use these
compounds to perform two different microscale cation exchange column
chromatography experiments involving separation and purification based on charge and
polarity. The last section of the experimental procedure will be devoted to the
characterization of all compounds using IR, UV-Vis, and for the first time in the
Inorganic Chemistry curriculum, Raman Spectroscopy.
CHED 695
New dirhenium paddlewheel compounds with alternating O,O'- and N, N'- bridging
ligands
Michael J Tarne, tarnemj@hendrix.edu, Michael Q Dequeant.Department of Chemistry,
Hendrix College, Conway, AR 72032, United States
Dirhenium paddlewheel compounds have shown unique structural and photophysical
properties due to the quadruple bond between rhenium atoms and the bridging ligands

between the rhenium atoms. Many of these compounds have had only one type of
bridging ligand between the rhenium atoms. In this project, Re2(OAc)2Cl4 is reacted with
formamidine ligands ((p-XArN)2HCH; X = -H, -Cl, -OCH3, -CH3, -C(O)CH3) under
various conditions to give Re2(III, III) paddlewheel compounds with alternating bridging
acetate and formamidinate ligands and axial chloride ligands. Preliminary results of the
compounds' structural and photophysical properties and electrochemical behavior will
be presented.
CHED 696
Synthesis of zero, one, and 2D copper(I)-pyrazine complexes
Michael J. Anderson2, anderson_michael5@columbusstate.edu, Bangbo Yan1,
Cathleen Webb1. (1) Department of Chemistry, Western Kentucky University, Bowling
Green, KY 42101, United States (2) Department of Chemistry, Columbus State
University, Columbus, GA 31907, United States
Crystal engineering of coordination polymers has been a prominent area of interest in
solid material research. The coordination number and orientation of transition-metal
binding sites with organic ligands and connectors constitutes an array of atoms ideal for
the establishment of a unique framework in association with a desired porosity and
large surface area. Applications of these porous materials include ion exchange
networks for the removal of toxic metals in waste water, and porous frameworks with
tunable electrical, optical and magnetic properties. Our experiments in the synthesis of
copper based complexes using the aromatic nitrogen heterocycles ligands have led to
four structures: [Cu(pzc)2(H2O)2], [Cu(pzc)2], [CuCl(pzc)2(H2O)2], and [CuCl(pz)2] (pzc =
2-pyrazinecarboxylate; pz = pyrazine).
CHED 697
Preparation, characterization, and activity studies of palladium catalysts on
alumina and silica supports
Michael J. Anderson, anderson_michael5@columbusstate.edu, Anil
Banerjee.Department of Chemistry, Columbus State University, Columbus, GA 31904,
United States
Palladium catalysts were prepared by dry impregnation and wet incipient methods of
metal nitrate solutions being added to slurry of alumina and silica supports separately;
this was finalized by drying in an air oven and calcination in a tube furnace at 600 C for
two hours. Characterization of the catalysts involved several techniques including a)
pulse chemisorption; b) Brunauer-Emmett-Teller (BET) method of physical adsorption to
measure total surface area; c) Temperature Programmed Oxidation (TPO); and d)
Temperature Programmed Desorption (TPD) to determine active sites of the catalysts.
Pulse, TPO/TPD studies were conducted with Micromeritics 2705 Chemisorb
equipment. Dispersion of Pd on alumina was 35%, TPD of this catalyst showed

hydrogen desorption at 300-550 C indicating hydrogen was adsorbed even at high


temperature. Activity studies are being done using CO oxidation (1% CO and oxygen)
on selective catalysts. The data on catalytic properties as well activity studies will be
presented.
CHED 698
Reaction rates of amino acids with analogs of the anticancer drug cisplatin
Celia J. Whelan, celia.whelan336@topper.wku.edu, Kevin M. Williams.Department of
Chemistry, Western Kentucky University, Bowling Green, Kentucky 42101, United
States
We are studying the reactions of various amino acids with analogs of the anticancer
drug cisplatin that differ in both size and shape. Reaction of cisplatin with proteins likely
precedes reaction with DNA in the body, and both size and shape of the platinum
complexes often affect the reactions with protein targets more than with DNA targets. In
this study, cisplatin analogs have been reacted with the amino acid histidine, and the
reactions have been monitored by NMR spectroscopy. Rate constants were calculated
and, when compared to previously obtained constants, it has been seen that adding
bulk to the platinum compound has little to no effect on the reaction with histidine
compared with other targets such as methionine. Thus, sufficient bulk may increase the
relative number of histidine adducts compared with methionine adducts.
CHED 699
Complete oxidation of nitrogen heteroatoms in aromatic amines
Nathan G Strom, stromng10@juniata.edu, Katharine M Brown, Peter
Baran.Department of Chemistry, Juniata College, Huntingdon, PA 16652, United States
The complete oxidation of pyridazine and pyrazole has never been accomplished using
usual oxidizing agents such as peroxides, peroxoacids, permanganates, or chromates.
Only mono N-oxides of unsubstituted pyridazine and pyrazole have been reported. The
HOFCH3CN complex, that demonstrated the ability to completely oxidize 1,10phenantroline to 1,10-phenanthroline N,N-dioxide1 was therefore chosen as the
oxidizing agent. Pyridazine N,N-dioxide and pyrazole N-hydroxide, N-oxide were
isolated when HOFCH3CN was used. The new organic compounds that are promising
ligands in coordination chemistry were characterized using IR, GCMS, elemental
analysis, and X-ray crystallography. The pyridazine dioxide was then complexed with
CuCl2. IR spectroscopy, elemental analysis, and X-ray crystallography were used to
study the composition of the complex.
1

S. Rozen, S. Dayan, Angew. Chem. Int. Ed. 1999, 38, 3471.

CHED 700

Synthesis, characterization, and initial biophysical reactivity of [6(C6H6)Ru(curcuminoid)Cl] complexes


Kinsey L Hall1, fab5b@uvawise.edu, Shylene A Scott2, Floyd A Beckford1. (1)
Department of Natural Sciences, The University of Virginia's College at Wise, Wise, VA
24293, United States (2) Lyon College, Batesville, AR 72501, United States
We have synthesized a series of organometallic ruthenium piano-stool complexes with
curcuminoids as co-ligands from the reaction of [(C6H6)RuCl2]2 with the curcuminoid in a
methanolic solution containing potassium hydroxide. The complexes have been
characterized by elemental analysis and various spectroscopic methods. The hydrolysis
(defined as the replacement of the chloride ligand by a water molecule) of the
complexes shows a complicated behavior with rates constants ranging from 1.1 x 10-5 s1
to 1.2 x 10-4 s-1. We have also investigated the interaction of the complexes with calfthymus DNA using absorption and fluorescence spectroscopies as well as viscometric
methods. From UV-Vis absorption spectrophotometry the binding constant with calfthymus DNA is 103 104 M-1.
CHED 701
Progress toward synthesis of phenyl-substituted spirometallabifluorenes
Patrick M Wallace1, patrick.wallace@maine.edu, Jerome L Mullin2, Caryn K Prudent1,
Henry J Tracy1. (1) Department of Chemistry, University of Southern Maine, Portland,
Maine 04104, United States (2) Department of Chemistry and Physics, University of
New England, Biddeford, Maine 04005, United States
Group 14 metalloles have been shown to demonstrate an aggregation induced emission
(AIE) phenomena. Our group is interested in synthesis and characterization of these
highly fluorescent compounds, and we have been successful in producing several new
spirometallabifluorenes. The unusual photophysical properties of these compounds may
make them suitable for practical applications such as labeling biological molecules,
fabrication of OLEDs, chemical sensors, and optoelectronic devices. Progress and
results toward synthesizing these novel metalloles will be presented.
CHED 702
Synthesis of group 14 metalloles
David J Tiberi, dave.tiberi@email.stvincent.edu, Jason K Vohs.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15650, United States
Research on the properties of heterocyclopentadienes has been conducted over the
past 50 years, and this class of molecules has recently been employed in the
conductive polymer layer of some organic light-emitting diodes (OLEDs).
Heterocyclopentadienes containing metals, also known as metalloles, have

demonstrated excellent electron transport abilities which stimulated their use in this
way. Through altering the metal contained in the metallole, the band gap of these
molecules can then be tuned. Metalloles were synthesized containing group 14 metals.
These compounds were characterized by 1H NMR spectroscopy and X-Ray
crystallography if applicable. The replacement of the metal contained within the
molecule allows for the properties to be altered while the substituents stay the same.
These molecules can then be altered to be used as monomers for poly-metallole
synthesis.
CHED 703
Cobalt catalyzed production of aromatics using C6F5CpCo(CO)2
Christopher Houser, clh70441@huskies.bloomu.edu, Eric Hawrelak.Chemistry and
Biochemistry, Bloomsburg University of Pennsylvania, Bloomsburg, Pennsylvania
17815, United States
This study examines the catalytic synthesis, via an organocobalt catalyst
[C6F5CpCo(CO)2], and purification of triphenylbenzene (TPB), biphenyl picolene (BPP),
and tris(trimethylsilyl)benzene (TTMSB). TPB and TTMSB were prepared via the
reaction between phenylacetylene and tetramethylsilane(TMS) respectively with 10 mol
% of catalyst in refluxing octane. The BPP was prepared via the reaction between
phenylacetylene and 10 mol % of catalyst in refluxing acetoniltrile. The purification
process for each molecule began with a thin layer chromatography was then run on a
Grace Davison Flash Chromatography Instrument. The synthesis of each molecule was
determined via NMR in CDCl3. The yields for these reactions are still being optimized
and at a 75:1 acetonitrile to phenylacetylene molar ratio, BPP can be made exclusively
from TPB.
CHED 704
Palladium(II) and platinum(II) terpyridine complexes with 4-substituted pyridines:
Building blocks for synthesis of heteronuclear complexes
Daniela Canales, dacanale@student.uiwtx.edu, Rafael A Adrian,
adrian@uiwtx.edu.Department of Chemistry, University of the Incarnate Word, San
Antonio, Texas 78209, United States
New palladium and platinum complexes have been synthesized by the reaction of
M(terpy)(NO)3 (where M =Pd(II) or Pd(II) and terpy = 2,2':6',2''-terpyridine) with 4substituted pyridines. In these complexes the ligand coordinates through the nitrogen in
the pyridine ring to the Pd(terpy)2+center leaving the functional groups in the 4-position
available for interaction with other complexes. The characterization of these complexes
and their reactivity towards the formation of heteronuclear complexes will be discussed.
CHED 705

Ruthenium complexes with functionalized-pyridines: Building supramolecular


networks through hydrogen bonding
Brayan Quintela, quintela@student.uiwtx.edu, Rafael A Adrian,
adrian@uiwtx.edu.Department of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States
New ruthenium(II) complexes have been synthesized by the reaction of Ru(bpy)2(NO3)2
(where bpy = 2,2'-bipyridine) with isonicotinamide and 4-picolylamine. In both
complexes the ligands N-coordinate to the Ru(bpy)22+ metal center leaving the amino
groups available for hydrogen bonding. The characterization of these complexes and
their reactivity towards the formation of supramolecular structures will be discussed.
CHED 706
Theoretical investigation of the utility of ammonia borane derivatives for
hydrogen storage
Justin Mark, jmark@suffolk.edu, Andrew S. Dutton.Department of Chemistry and
Biochemistry, Suffolk University, Boston, Massachusetts 02114, United States
Ammonia borane has become an interesting compound of study with its high hydrogen
content of ~19% (wt/wt), making it a plausible fuel in the possible switch to hydrogen
energy. Releases of hydrogen molecules off of ammonia borane derivatives were
simulated in Gaussian 09, using the B3LYP/6-311+G(d,p) and CBS-QB3 levels of
theory, in order to study the free energies of the reactions. Substituents with varying
degrees of electron donating and withdrawing power were selected in order to study the
shifts in the free energies of the derivatives, after hydrogen release, compared to those
of regular ammonia borane. The substituents seem to have similar patterns in terms of
affecting free energies, regardless of being bonded to the boron or nitrogen atom of
ammonia borane. Based on the calculated energies, it seems that ammonia borane
derivatives may be useful for hydrogen storage, but a significantly large energy barrier
is present between hydrogen releases.
CHED 707
Synthesis and characterization of novel monosubstituted copper dimer liquid
crystals
Matthew Pinkelton1, mpinkelt@knox.edu, Thomas Clayton1, Mark Shroyer2, Emma
Lorenzen2, Paul Heiney3. (1) Department of Chemistry, Knox College, Galesburg,
Illinois 61401, United States (2) Department of Physics, Knox College, Galesburg,
Illinois 61401, United States (3) Department of Physics and Astronomy, University of
Pennsylvania, Philadelphia, Pennsylvania 19104, United States

Reaction of copper (II) carboxylate dimers with copper (II) chloride dihydrate produces a
chloride bridged intermediate as shown by FT-IR. Addition of a new carboxylate ligand
forms a monosubstituted product which has been identified by elemental analysis, DSC,
FT-IR, polarized optical microscopy, SQUID magnetic susceptibility, and variable
temperature XRD. These monosubstituted products exhibit liquid crystalline
mesophases. Melting points for mixed ligand products are much lower by comparison
with copper(II) butanoate parent specie. Both X-ray diffraction and polarized optical
microscopy suggest that the rectangular columnar mesophase of the copper(II)
butanoate parent is disrupted. The new mesophase exhibits a drastically lowered
melting point but retains the antiferromagnetic behavior consistent with the copper
dimer molecular structure.
CHED 708
Popularizing N-oxide coordination chemistry via a novel synthetic approach to
the ligand precursor 2-pyridinecarboxaldehyde N-oxide
Alexander B Koval, kovalab09@juniata.edu, Peter Baran.Department of Chemistry,
Juniata College, Huntingdon, PA 16652, United States
Schiff bases containing a pyridine N-oxide moiety attract much less attention from
coordination chemists than their pyridine analogues or Schiff bases derived from
salicylaldehyde. The main reason is commercial inaccessibility of 2pyridinecarboxaldehyde N-oxide (poxal) and its peculiar synthesis requiring oxidation of
-picoline N-oxide by selenium dioxide. Several alternative synthetic routes for poxal
have been suggested recently, but with little success, to increase popularity of N-oxide
coordination chemistry due to their complicated procedures. We are presenting a simple
and efficient two-step synthesis of poxal by employing oxidation of protected 2pyridinecarboxaldehyde. The details of the synthetic procedure of poxal together with
the synthesis and full characterization of copper(II) complexes of its intermediates will
be presented.
CHED 709
Investigations of influence of various cupric salts on formation of pyridine Noxide Schiff bases
Avery H. Fordham, fordhah10@juniata.edu, Peter Baran.Department of Chemistry,
Juniata College, Huntingdon, Pennsylvania 16652, United States
Attempts to synthesize a tetradentate Schiff-base (L) via condensation of two
equivalents of 2-pyridinecarboxaldehyde N-oxide (poxal) with o-phenylenediamine
resembling salen-type ligands yielded a bidentate ligand 2-(2-benzimidazolyl)pyridine Noxide (poxbim) in a low yield. When the reaction is performed in the presence of a base,
a tridentate Schiff base (poxpam), the product of 1:1 (aldehyde:amine) condensation,
was isolated. The subsequent condensation of poxpam with additional equivalent of

poxal yields the desired tetradentate Schiff base L. A Cu(II) complex with L was
obtained via a templated synthesis of poxal and o-phenylenediamine with Cu(NO3)2.
However, Cu(NO3)2 causes poxpam to be catalytically converted to poxbim. Results of
complexation studies of poxpam and templated syntheses of L using different cupric
salts (chloride, sulfate, and acetate) will be presented together with characterization of
isolated complexes.
CHED 710
Structural studies of molybdenum halide clusters
Trevor H. Sams, trevor.sams@otterbein.edu, Dean H. Johnston.Department of
Chemistry, Otterbein University, Westerville, OHIO 43081, United States
Molybdenum halide clusters have been studied extensively due to their unique
photophysical and electrochemical properties. Phosphorescent lifetimes as long as 300
s have been observed in solution measurements. We have prepared a series of
molydenum halide clusters, [Mo6X8L6]2- (X = Cl, Br, I), and characterized them using
single crystal X-ray diffraction.

We have shown that the nature of the "outer" ligand (L) influences both the
photochemical properties of the compound and the structure of the cluster core. We are
also developing routes to build hydrogen-bonded networks of cluster units.
CHED 711
Ru(II) complexes for potential use in studies of nitrogenase activity
Lorena I Zuniga, lizuniga@student.uiwtx.edu, Robert N Garrner,
rgarner@uiwtx.edu.Department of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States
The ability to test nitrogenase activity has a very useful application in biochemistry.
Current methods, which test nitrogenase activity by monitoring the reduction of
acetylene to ethene or ethane, are cumbersome and are generally lower throughput. A
potential new high throughput method using Ru(bpy)2(CN)2 and other Ru(II) cyano
complexes to monitor the nitrogenase reduction of the cyano ligand by electronic
absorption is being studied.
CHED 712
Variable-temperature structural changes and resultant photoluminescent effects
in isostructural lanthanide cyanometallates containing Au2Pt4 and Au2Pd4 cyanide
clusters

Kang Rui Xiang1, kx1001@jagmail.southalabama.edu, Anthony Thames1, Frankie


White1, Lam Pham1, Zerihun Assefa2, Richard E. Sykora1. (1) Department of
Chemistry, University of South Alabama, Mobile, AL 36688, United States (2)
Department of Chemsitry, North Carolina A&T State University, Greensboro, NC 27411,
United States
Four isostructural compounds with the formula K2[Ln(H2O)4(M(CN)4)2]Au(CN)22H2O (Ln
= Eu, Gd; M = Pt, Pd), abbreviated KLnMAu, will be discussed. Studies of said
compounds will be presented with four foci. First, Au2Pt4 or Au2Pd4 clusters within the
compounds have the potential to transfer energy to either Gd3+ or Eu3+ in KLnMAu.
Such potential was studied via temperature-dependent photoluminescence
experiments. With Gd3+ having no visible emission, it acts as a control for energy
transfer from cyanide clusters to Eu3+. Second, the difference in degree of covalency in
metal-metal interactions in the Au2Pt4 vs Au2Pd4 clusters will be presented. Third, M-Au
and Au-Au distances, cell volumes, and a-axis and c-axis unit cell lengths of all four
compounds were recorded with X-ray diffraction. Changes in those properties with
respect to change in temperature will be displayed. Finally, variable-temperature
structural and photoluminescence changes will be correlated.
CHED 713
Addition of triphenylphosphine oxide ligands to the europium dicyanoaurate
system
Anthony T Thames1, att1102@jagmail.southalabama.edu, Kang Rui Xiang1, Lam
Pham1, Frankie White1, Zerihun Assefa2, Richard E. Sykora1. (1) Chemistry, University
of South Alabama, Mobile, Alabama 36618, United States (2) Chemistry, North
Carolina A&T State University, Greensboro, North Carolina 27411, United States
One of the properties of europium is that it has a high number of coordination sites
available for the bonding of ligands. Another property of europium is that its trivalent
state displays a characteristic red emission. This research focuses on the synthesis of
the europium complex Eu[Au(CN)2]3[OPPh3]4. Energy transfer between the ligands and
europium were compared to the energy transfer seen in Eu[Au(CN)2]3 3H2O and
Eu(OPPh3)3(SCN)3. The structure of Eu[Au(CN)2]3[OPPh3]4 was determined by lowtemperature singe crystal X-ray diffraction. X-ray diffraction shows that the structure of
the complex is a coordination compound that uses the dicyanoaurate as a bridging
ligand between adjacent Eu3+ ions. These experiments also reveal that the structure of
the complex is anhydrous, although the reaction conditions did not exclude water or air.
Temperature dependent luminescence spectra show that there is indeed energy
transfer between triphenylphosphine oxide and Eu as well as the dicyanoaurate and Eu.
CHED 714
Routes toward the synthesis of symmetrical triazole N-heterocyclic carbenes

Bryan Haugen, haug7672@stthomas.edu, Marites A. Guino-o.Department of


Chemistry, University of St. Thomas, St. Paul, Minnesota 55104, United States
Enders have shown that 1,3,4-Triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene (TPT) is
a stable carbene in the absence of oxygen and moisture. However, since its preparation
in 1995, only a few groups have investigated new routes towards this carbene. Herein,
we present our attempts in the synthesis of symmetrical triazole based N-Heterocyclic
carbene precursors. These precursors will be used to investigate steric effects on a
nickel center.
CHED 715
Stabilization of group 13 metal complexes by utilization of the sterically hindered
N-heterocyclic carbene, iPR
Allen J. Osinski, allen.osinski@email.stvincent.edu, Jason K. Vohs.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15650, United States
Carbenes are organic molecules that contain a neutral divalent carbon with only six
valence electrons. One type of carbene is the N-heterocyclic carbene (NHC). Recently,
N-heterocyclic carbenes with large sterically hindering aryl groups have been used to
prepare many intriguing main group metal complexes. Here, we report the utilization of
the extremely bulky iPr* NHC ligand in the formation of group 13 metal halide
complexes. Although this ligand replaces the methyl groups of iPr NHC with phenyl
groups, it has been shown in the literature to be malleable enough to contain transition
metal centers within the gap surrounding the carbene center.
CHED 716
Borohydride catalyzed preparation of new group six carbonyl complexes: PEG
modified reactivity
Ronny Lem, birdwhis@loyno.edu, Kurt R. Birdwhistell.Department of Chemistry, Loyola
University New Orleans, New Orleans, LA 70118, United States
We studied the synthesis of group six carbonyl complexes using microwave energy and
borohydride catalysts. By combining these technologies, we have devised a low
temperature, low pressure, rapid synthesis of group six carbonyl complexes of
M(CO)4dppe and M(CO)3dppe(1-dppe) , where M = Mo, or W. We will present data on
these syntheses including: microwave time and temperature, use of green solvents,
counterion effects, and product results. We will compare this synthesis to conventional
non-microwave preparations of the group six carbonyl complexes using the Chatt
synthesis.
CHED 717

Langmuir-Blodgett studies of organosilyl derivatized Dawson polyoxotungstates


Eric Lemieux1, elemieu@linfield.edu, Elizabeth J. O. Atkinson1, eatkins@linfield.edu,
R. Carlisle Chambers2. (1) Department of Chemistry, Linfield College, McMinnville, OR
97128, United States (2) Department of Chemistry, George Fox University, Newburg,
OR 97132, United States
Polymetaloxalates are polyatomic ions consisting of three or more transition metal
oxyanions linked together by shared oxygens. The goal of this study was to characterize
organic-derivatized Dawson polyoxotungstates. Alkylated Dawson derivatives were
synthesized by covalently attaching organosilyl groups of differing lengths
[(Si2O)(CnHn+1)2 where n=8 or 12] to Dawson lacunary head groups. The derivatives
were precipitated by the addition of tetrabutylammonium counter ions. The products
were characterized by 1H and 31P NMR and further studied using Langmuir-Blodgett
techniques to examine their amphiphilic properties.
CHED 718
Acylation of ferrocene: Which is greener?
Maria Swasy, mswasy4@hotmail.com, Jason K Vohs.Department of Chemistry, Saint
Vincent College, Latrobe, PA 15650, United States
The acylation of ferrocene is a commonly performed reaction in undergraduate
inorganic laboratories because it demonstrates Friedel-Crafts acylation and it introduces
students to metal-arene complexes. With increased concern about the negative impacts
that many chemical reactions are having on our environment, green chemistry has
become more of an emphasis in classrooms and laboratories. Various procedures that
have already been presented as being greener than the traditional acylation of
ferrocene will be compared to one another using qualitative and quantitative methods.
The 12 Principles of Green Chemistry and green chemistry mass metrics will be used to
evaluate the greenness of each of these reaction pathways. The green star
representation of these pathways will visually show the greenness of each pathway.
CHED 719
Synthesis and characterization of macrocyclic dimetallic complexes of copper,
nickel, and zinc
Kacey L McQuiston, mcquisto@student.uiwtx.edu, Karina N Juarez,
knjuarez@student.uiwtx.edu, Brian G McBurnett.Department of Chemistry, University of
the Incarnate Word, San Antonio, Texas 78209, United States
Towards the development of non-platinum antitumor compounds, a series of mixed
metal macrocyclic complexes were synthesized. A macrocyclic oxyimine ligand was
used as a template for a series of symmetric and asymmetric dinuclear complexes of

copper, nickel, and zinc. Potentially active in the binding and hydrolysis of DNA, the
synthesis, structure, and characterization of these complexes will be discussed.
CHED 720
Luminescence study of the effect of firing times on the stability of divalent
samarium in barium octaborate
Christopher H Drozdowski, stumpn@wssu.edu, Nathan A Stump;.Department of
Chemistry, Winston-Salem State University, Winston-Salem, North Carolina 27110,
United States
The product of the homogenous coprecipitation of samarium(III) and barium(II) with
sodium tetraborate can be fired in air with an equivalent mass of boric acid producing
divalent samarium in barium octaborate (BaB8O13). This process has been studied for 1
and 5 mole percent samarium versus barium samples as a function of firing times using
emission spectroscopy. The reduction to divalent samarium in both samples was
observed to increase steadily with maximum reduction occurring at 30 minutes firing
time. As firing times extended beyond 30 minutes, the divalent samarium increasingly
oxidized to trivalent samarium. It was observed that firing of the 5% samarium sample
beyond 4 hours resulted in a change in the divalent samarium ion's site as indicated by
the samarium(II) emission spectrum. The new site has not been previously reported, but
is believed to result from the formation of divalent samarium in barium hexaborate (as
BaB6O10 or BaB6O10B2O3).
CHED 721
Computational and experimental studies of cyanoethylene pentacarbonyl metal
(molybdenum and tungsten) complexes: Insights into 2 and 1 competitive
bonding
Austin Stewart, astewar@ilstu.edu, Sheryl L Johnson, Ted W. Camper, Alexus Rusk,
David L Cedeo.Department of Chemistry, Illinois State University, Normal, Illinois
61790-4160, United States
The bonding of cyanoethylenes to M(CO)5 (M = Cr, Mo, W) could lead to either olefin
binding (via the C=C bond, or 2) or nitrogen binding (1). A recent report by Bubrin et
al.1 indicate that the 1 bonding mode is preferred over the 2 mode in W(CO)5(C2(CN)4)
counter to what had been previously reported. We have carried out computational (DFT)
modeling of the 1 and 2 bonding for the full series of M(CO)5(C2Hn(CN)n) (M =Mo, W
and n = 1 to 4) and found out that 1 is preferred in all cases. Furthermore, the
preference increases with an increase of the number of cyano substituents. We have
also synthesized M(CO)5(E-C2H2(CN)2) and M(CO)5(C2(CN)4) (M = Mo, W) and
measured their thermal decomposition kinetics. Experimental results agree with the
computational predictions. Analyses of the aspects that govern the preference of 1
bonding over 2 bonding are discussed.

1. Organometallics, 2012 , 31, 6305


CHED 722
Computational study of phenylethylene pentacarbonyl metal (chromium,
molybdenum and tungsten) complexes: The influence of steric effects on metalolefin bonding
Stephen A. Hon, Konrad L Ryba, kryba@ilstu.edu, David L Cedeo.Department of
Chemistry, Illinois State University, Normal, Illinois 61790-4160, United States
It is widely accepted that steric interactions influence the bond strengths between a
ligand and a transition metal in a complex. In the case of olefins as ligands, however,
the extent of this influence has not been incorporated in the model used to describe a
metal-olefin interaction. Here we present a computational (DFT) study that quantitative
describes the role of steric interactions in the bonding of a series of phenylethylenes
(C2H4-n(Ph)n, Ph = phenyl, n = 0 4) to M(CO)5 (M = Cr, Mo, W). The results indicate
that there is almost a linear decrease of the bond strength with the increase of the
number of phenyl substituents and that triphenylethylene and tetraphenylethylene will
not make stable olefin complexes. Indeed, results indicate that 2 bonding to a phenyl
substituent would be preferred when steric interactions restrict binding to the olefin.
CHED 723
Synthesis and characterization of new aminophenol ligands
Sarah R. DiNapoli, srdina14@g.holycross.edu, Courtney A. Downes, Joshua R.
Farrell.Department of Chemistry, College of the Holy Cross, Worcester, MA 01610,
United States
We are developing a strategy for preparing a library of diaminotetraphenol ligands
containing one to four different phenols in one compound. The synthesis of the ligands
is based on a series of sequential reductive amination reactions, beginning with a
substituted salicylaldehyde and 1,3-diaminopropane. Multidentate aminophenol
compounds have applications as ligands for biologically relevant metals, for
bioinorganic modeling chemistry and in catalysis. The synthesis and characterization of
these new ligands as well their metal complexes will be reported.
CHED 724
Synthesis and characterization of hybrid thiophene-aminophenol ligands
Kevin M. Turner, KMTURN13@g.holycross.edu, Matthew R. Zielinski, Joshua R.
Farrell.Department of Chemistry, College of the Holy Cross, Worcester, MA 01610,
United States

The synthesis and characterization of a library of thiophene based diamine ligands will
be presented. The ligands are synthesized by sequential reductive aminations. Both the
electrochemical properties and reactivity with transition metals of these ligands will be
reported.
CHED 725
Synthesis and oxidation studies of a copper complex with a tris-oxime ligand
Ryan T. O,Connor, oconnorr5@xavier.edu, Craig M. Davis.Department of Chemistry,
Xavier University, Cincinnati, OH 45207-4221, United States
Nickel and copper are not typically employed in oxidation catalysts due to the
inaccessibility of higher oxidation potentials. However, electron-donating ligands can
reduce the oxidation potential, thereby allowing oxygen activation. Baldwin and
coworkers have synthesized nickel(II) complexes with ligands containing three oxime
functional groups, specifically tris(1-propan-2-onyl oxime)amine (H3TRISOX).
Previously, our group increased the steric bulk of H3TRISOX by substituting the three
methyl groups with phenyl groups to form the H3TRIPHOX ligand. The Ni- H3TRIPHOX
complex was synthesized, but oxidation studies were inconclusive. This study focuses
on the copper complex. Oxidation tests were performed by deoxygenating a solution of
Cu(H3TRIPHOX)(H2O)2 in a primary alcohol, then adding three equivalents of NaOH.
The volatile components were vacuum distilled from the catalyst. Each trial was
qualitatively assessed using 1H-NMR spectroscopy, which revealed the presence of the
corresponding aldehyde. Gas chromatography was then used to quantify the number of
catalytic turnovers.
CHED 726
Synthesis and complexation of 1-hydroxy pyrazole
Brian Eakin, eakinbc09@juniata.edu, Peter Baran.Department of Chemistry, Juniata
College, Huntingdon, Pennsylvania 16652, United States
The heterocyclic compound 1-hydroxypyrazole was synthesized and studied as a ligand
in transition metal complexes. The ligand was synthesized from pyrazole by oxidation
with m-chloroperoxybenzoic acid as outlined by Begtrup and Veds. The purity and
identity of the resulting crystalline product was confirmed using NMR and IR.
Subsequently, complexation reactions with the first row transition metal salts were
studied. Progress on complexation of 1-hydroxyl pyrazole and characterization of
isolated complexes will be presented.
Begtrup, M.; Veds, P. J. Chem. Soc. Perkins Trans. 1. 1995, 243-247
CHED 727

Synthesis of a tridentate pyridone pincer ligand


Jacquelyn Ketner, jketner14@cmc.edu, Alexandra Sullivan, Hannah Whittemore, B.
Scott Williams.Keck Sci. Dept., Claremont Colleges, Claremont, CA 91711, United
States
A tridentate pyridonate ligand has been synthesized in a six step synthesis, beginning
with diethyl oxalate ($44/kg). A double Clasien condensation followed by a ring closing
ammoniation affords diethyl chelidamate. The phenol is protected by iodomethane,
followed by a one-pot reaction involving reduction to a diol, tosylation and amination
with diethyl amine It is anticipated that the resultant tridentate pyridone ligand, 2,6bis(diethylaminomethyl)-4-pyridone will be highly pi-basic, and should promote C-H
activation in platinum group metals, as suggested by preliminary DFT calculations.
CHED 728
Investigating the photocatalytic activity of mixed metal oxides with SHArK and
SEAL to generate hydrogen from water
Elizabeth A. Amoline, Benjamin R. Hellner-Burris, Evan M. Krizon, Nicole L. Zovack,
Christopher M. Stanisky, G. Rattan K. Khalsa.Department of Chemistry, Thiel College,
Greenville, PA 16125, United States
Electrolysis of water produces hydrogen, which has immense potential as a clean,
renewable fuel. Radiant energy from the sun could drive the electrolysis, assuming a
suitable photocatalyst is identified. In this work, combinations of mixed metal oxides
have been tested, with the goal of finding materials with suitable band gaps and band
positions for the photoelectrolysis of water with visible radiation. Two inexpensive
systems have been employed: SHArK (Solar Hydrogen Activity Research Kit) and SEAL
(Solar Energy Activity Lab). One utilizes a green laser pointer as a light source and the
other employs an array of LEDs. These systems allow efficient analysis of
photocurrents generated by various multicomponent metal oxides. Results from the two
methods will be compared for promising combinations.
CHED 729
Preparation of novel rhenium (I) compounds using less common diimine ligands
Calvin Luu1, cluu13@g.holycross.edu, Richard S. Herrick1, Christopher J. Ziegler2,
Mitchell C Shetter1. (1) Department of Chemistry, College of the Holy Cross, Worcester,
MA 01610, United States (2) Department of Chemistry, University of Akron, Akron, OH
44325, United States
Recently 188Re, a emitter, has started to be considered for medical use. Combining
99m
Tc, which is widely used in nuclear medicine, with 188Re opens up the possibility of
developing related compounds for diagnostic imaging and therapy of a tumor site.

Use of organometallic compounds of technetium or rhenium as tagging agents has


received much study because they can be obtained in a clinically appropriate fashion
and because compounds can be prepared that withstand biological nucleophiles and
that target tumor sites.
Diimines compounds of Re d6 with an appropriate sixth ligand are quite stable and can
be modified for biological applications. The most common diimines are 2,2'-bipyridine,
and the Schiff base adducts pyridine-2-carbaldehyde imine, and diazabutadiene.
Here we report the use of less common diimines: 2,2'-biimidazole, and 2-(2'pyridyl)imidazole, 2-(2'-pyridyl)benzimidazole. Each of these ligands has the possibility
of further modification by alkylation of an unbound amine. This could prove to be a way
of attaching groups that could target a biological receptor.
We have prepared nine Re(CO)3(N-N)X compounds using these three diimine ligands
and X = Cl, Br, I. Each compound is completely characterized; the structures of five
compounds were elucidated by single crystal X-ray crystallography. The three diimines,
which have only occasionally been used in coordination complexes, bind tightly forming
stable complexes.
CHED 730
Rhenium(I) compounds bound by tripodal ligands of pyridine and Nmethylimidazole
Catherine Bogdanowicz1, CABOGD14@g.holycross.edu, Richard S. Herrick1,
Christopher J. Ziegler2, Donald L. Jameson3. (1) Department of Chemistry, College of
the Holy Cross, Worcester, MA 01610, United States (2) Department of Chemistry,
University of Akron, Akron, OH 44325, United States (3) Department of Chemistry,
Gettysburg College, Gettysburg, PA 17325, United States
Technetium-99m is the most commonly used radionuclide in nuclear medicine, but has
no stable nuclides. Studying cold rhenium compounds as analogs for technetium
derivatives has long been a standard means of searching for radiopharmaceutical
candidates. More recently, as rhenium-188 (half-life of 17 hours with - = 2.1 MeV)
becomes available carrier free, and a clinically relevant formulation becomes available
for the 188Re(CO)3+ core, there is interest in theranostic treatments, where a matched
pair of 99mTc and 188Re compounds would target the same location for diagnostic and
therapeutic uses, respectively.
We have previously prepared novel compounds as possible target-specific
radiopharmaceuticals. But we have also prepared candidates of novel metal-essential
radiopharmaceuticals compounds. One avenue we've examined is the use of neutral
tripodal ligands bound to Re(CO)3+ to create lipophilic compounds that will stand up to
biological nucleophiles. We have previously prepared Re(CO)3+ derivatives with

methane-derivatized tripodal derivatives with amine, pyrazole, imidazole and pyridine


donor groups.
In the current study we present results showing that imidazole based-ligands are inferior
to corresponding pyridine-based ligands as the tris-imidazole ligands often act only as
k2-donors. In each case the methane-derivatized tris-2-pyridine ligand acts as a k3donor and strongly resists replacement by biological nucleophiles.
Finally, we present new compounds with a pendant ether ligand that will help create
lipophilic compounds that might have biological use.
Novel compounds were characterized by spectroscopic and crystallographic means.
CHED 731
Synthesis and characterization of water soluble salen ligand for biological testing
Kathleen A Blacksmith, kblacksmith@mail.csuchico.edu, Devin McBain, Dylan Carroll,
Larry Hanne, Erik Wasinger.Chemistry, CSU Chico, Chico, CA 95926, United States
The potential of Salen type ligands applicability in the medical world is increasingly
being uncovered. Unfortunately, most Schiff base complexes are not water-soluble. This
poses a problem for designing bioavailable drugs or pro-drugs. The water soluble
ligand, Na2[5,5-sulphonatosalen], was synthesized and metalated with nickel, zinc, and
copper for testing biological activity in bacteria. The syntheses and spectroscopic
characteristics will be discussed.
CHED 732
Ligand-assisted proton delivery in diiron complexes as electrocatalysts for H2
production: Ligand and complex synthesis
Nicholas Zaibaq1, zaibaqn@stthom.edu, Pokhraj Ghosh2, Chung-Hung Hsieh2,
Marcetta Y. Darensbourg2. (1) Department of Chemistry and Physics, University of St.
Thomas, Houston, TX 77006, United States (2) Department of Chemistry, Texas A&M
University, College Station, TX 77843, United States
The active site of the enzyme diiron hydrogenase is of particular interest to inorganic
chemists for its ability to catalyze the reduction of protons to form hydrogen gas. This
group is interested in synthesizing biomimetic, organometallic analogs of the enzyme
active site which may serve as affordable and efficient electrocatalysts of hydrogen
production. This project in particular focuses mainly on synthesizing novel ligands
containing a methyl and an amino group (or a substituted amino group) on the
bridgehead carbon of a propanedithiolate ligand. Ligands that have been synthesized
include the dithiolates SCH2C(CH3)(NH2)CH2S, SCH2C(CH3)(NBn2)CH2S, and
SCH2C(CH3)(NHTos)CH2S (Bn = benzyl; Tos = tosyl). As dianions, the potential

bridging ligands react to form Fe2(CO)6 complexes which have been characterized by
infrared spectroscopy. The complexes containing these ligands may augment catalytic
efficacy whereby the amino group acts as a built-in base, strategically positioned next
to the catalytically active iron for proton delivery.
CHED 733
Phase transition thermodynamics of carborane-based low melting salts
Lars Soderstrom, lsoders1@ithaca.edu, Max Klemes, Anna Larsen,
Alarsen@ithaca.edu.Chemistry, Ithaca College, Ithaca, NY 14850, United States
Presented project pursues development of novel low-melting ionic materials involving
closo- and nido-carborane cluster anions. Thermodynamic investigation of the phase
transition processes in these materials explores the correlation between the relative
enthalpy and entropy contributions and the varying degree of derivatization introduced
in cations and anions. The compounds are synthesized in the metathesis reactions and
studied by Differential Scanning Calorimetry and X-ray single crystal diffraction
methods.

CHED 734
Targeting conjugated enyne isomers via rhodium pincer catalyst advances
Shane S Galley1, sgalley1@ithaca.edu, Anna S Larsen1, alarsen@ithaca.edu, Oleg.
V. Ozerov2. (1) Department of Chemistry, Ithaca College, Ithaca, NY 14850, United
States (2) Department of Chemistry, Texas A&M University, College Station, TX 77843,
United States
Rhodium complexes with pincer-type ligands (PNP- and PoCoP shown below) are used
to mediate the dimerization of terminal alkynes. We pursue the improvement of
selectivity of the reaction for each specific enyne isomer by varying the substituents on
the phosphines and on the aromatic rings of the ligands, thereby slightly changing the
steric and electronic parameters of the rhodium metal center in the catalyst.

CHED 735
Microwave-assisted iodination of 1-carba-closo-dodecaborate(1-): An improved
synthesis of CB11H6I6- and CB11HI11Paul S Chang, changps@whitman.edu, Aaron J Rosenbaum, Marcus A
Juhasz.Department of Chemistry, Whitman College, Walla Walla, WA 99362, United
States
Hexaiodinated and undecaiodinated derivatives of 1-carba-closo-dodecaborate(1-) were
prepared by microwave-assisted reactions of the closo-CB11H12- cluster. Compared to
conventional heating, microwave irradiation wa