Kimia Komputasi &

Pembelajaran Kimia
Berbantuan MarvinSketch
Oleh:
Enade Perdana Istyastono, Ph.D., Apt.
Workshop PKPT – UNIMUS – 17 September 2019
Masih langka di Indonesia
Masih langka di Indonesia
Secara global …
• Expert di bidang ini sebenarnya masih langka juga.
• Salah satu alasan adalah adanya jurang dalam
pendidikan di “high school” dengan “higher
education”
• Sebagai contoh VU University Amsterdam
“memutuskan” mengembangkan departemen
Pendidikan Kimia untuk akselerasi dalam
mendekatkan Kimia (Medisinal) Komputasi dalam
kurikulum “high school”. <= 2017
This study deals with the participation of 10 upper secondary chemistry
students, aged 16–17, and their chemistry teacher in a pharmacochemistry
research community on anti-allergy medicines at VU University, Amsterdam, The
Netherlands. Participation of students in scientific research raises the
question of how to bridge the gap between an upper secondary school
inquiry practice and a scientific research practice. To bridge this gap, a
design based on 6 principles derived from an educational model of a community
of learners was proposed. … Data were obtained from questionnaires, interviews
and video tapes. The results indicated that according to the teacher all 6
principles were necessary to bridge the gap, whereas according to the students 1
principle and according to the pharmacochemistry researchers 2 principles were
necessary but difficult to achieve. Furthermore, all students gained discipline-
specific content knowledge. Their interest in scientific research exhibited a
positive change and their knowledge about the nature of science
increased. The implications for further research and practice are discussed.
Lebih lanjut tentang …
• … Kimia Komputasi, riset-riset dan aplikasi di dunia
penemuan dan pembelajaran akan dibahas di sesi
2.
• Momentum saat ini adalah:
• Revolusi industri 4.0 (mulai bergeser ke Society 5.0)
• Hardware dan software makin terjangkau
• Brainware?
ChemAxon – MarvinSketch
• Multiplatform OS: Windows, Linux & MacOS OK!
• Powerful dalam riset penemuan obat dan material
maju.
• GUI-nya memadai => Learning curve relatif pendek.
• GRATIS untuk guru dan murid/mahasiswa.
Mari belajar langsung …
• Instalasi dan open
• Menggambar struktur 2D
• Mengenali struktur kimia yang keliru
• Konversi 2D => 3D
• Perhitungan sifat kimia fisika esensial:
• Molecular Weight
• pKa
• Muatan partial
• Mencicipi big data:
• Konversi nama ke struktur dan sebaliknya
Objek pembahasan:
• Air
• Asam asetat
• Aspirin
• Parasetamol
• Morfin
• Kurkumin
• Vanilin
Terima kasih