Food Research International 32 (1999) 565±573

www.elsevier.com/locate/foodres

Co€ee geographic origin Ð an aid to co€ee di€erentiation

A.M. Costa Freitasa,*, A.I. Moscab
a
Centro de QuõÂmica Fina e Biotecnologia, Departamento de QuõÂmica, Faculdade de CieÃncias e Tecnologia,
Universidade Nova de Lisboa, 2825-114, Monte da Caparica, Portugal
b
Controlab, Praceta AnõÂbal Faustino, 6B 2725 PoÂvoa de St. Iria, Portugal

Received 12 May 1999; accepted 27 September 1999

Abstract
Principal component analysis and hierarchical clustering methods were used to di€erentiate co€ees from 8 di€erent origins pro-
duced by the same manufacturer. The analysis was applied to 23 peaks of the aroma fraction. The peaks were tentatively identi®ed
by GC±MS. The aroma fraction can successfully be employed to characterise roasted co€ees of di€erent origins. The e€ect of
roasting is emphasised when the same method is applied to green co€ees of the same origins and the same manufacturer. This paper
reports the possibility of characterising roasted co€ee by PCA of some of the aroma compounds through the use of a purge and
trap sampling device and GC±FID analysis. The aroma fraction was obtained after milling the beans over controlled conditions
and using the purge and trap sampling technique as sample introducing system for GC analysis. Thermal desorption took place
during 5 min and the vapours were cryofocused at the head of the capillary column for 5 min. # 2000 Canadian Institute of Food
Science and Technology. Published by Elsevier Science Ltd. All rights reserved.
Keywords: Green and roasted co€ees; Aroma fraction; Purge and trap sampling; Principal component analysis (PCA)

1. Introduction Major improvements in extraction techniques have

Volatile compounds are responsible for most of
foodstu€ aromas. Since they are found mainly at trace
levels and being at the same time volatile, both quanti-
tative and qualitative analyses are dicult.
Co€ee aroma has been the subject of deep research. Over
700 compounds have been so far identi®ed, (Shimoda &
Shibamoto, 1990; Stoll, Winter, Gautschi, Flament &
Willhalm, 1967; Vitzthum & Werkho€, 1975) though
none of them was able to distinguish a variety of co€ee
per se (Tipler, Spragg, Aries & Lidiard, 1991). Com-
pounds belonging to chemical families as di€erent as
hydrocarbons, alcohols, ethers, aldehydes, ketones, acids,
sulphurs, mercaptans, phenols, furanes, pyrrols, pyridines
and pyrazines were identi®ed (Bondorovich, Friedel,
Krampl, Renner, Shepard & Gianfurco, 1967; Gold-
man, 1967; DeMaria, Tru, Moreira & Wernek, 1994;
Nishimura & Mihara, 1990; Shimoda & Shibamoto,
1990; Spadone, Takeoka & Liardon, 1990; Stoll et al.;
Vitzthum & Werkho€ 1975; Yu, Ho & Rosen, 1993;).
* Corresponding author. Tel.: +351-21-2948351; fax: +351-21-
1948550.
0963-9969/00/$20.00 # 2000 Canadian Institute of Food Science and Technology. Published by Elsevier Science Ltd. All rights reserved.
PII: S0963-9969(99)00132-5
been introduced aiming both economy of time and
money and better extraction eciency. Choosing the
best extraction technique becomes especially important
for aromatic component analyses and most of the
available techniques are based upon their character-
istics: volatility, high solubility in organic solvents and
relatively low solubility in water.
Steam distillation and vacuum distillation (Bondor-
ovich et al., 1967; Goldman et al., 1967; Stoll, 1967)
solvent extraction (Spadone et al., 1990), static head
space (Kallio, Leino & Solarinne, 1988), purge-and-trap
and thermal desorption (Cadwallader, 1994; Coleman,
1992; Takeoka, Flath, GuÈntert & Jennings, 1988) an
SPME (solid phase micro extraction) (Miller, Poole &
Pawloski, 1996; Pawliszyn & Arthur, 1990; Yang &
Peppard, 1994) are some of the most used extraction
techniques. Purge and trap stand out for giving good
results when analysing trace level compounds.
In this work we used a thermal desorption auto sam-
pler coupled with a GC and samples were extracted by
direct thermal desorption, avoiding fastidious sample
preparations.
Co€ee beans used in the blends for commercial co€ee
industry come from a wide range of geographical areas
566 A.M. Costa Freitas, A.I. Mosca / Food Research International 32 (1999) 565±573
and may have di€erent chemical and organolpetic
properties. The producers must select among the di€er-
ent raw materials to produce quality and homogeneous
blends. There is a certain interest in the commercial
quali®cation of co€ee. The % of Arabica and Robusta has
been considered as one way to produce blends of di€erent
qualities (Frega, Bocci & Lercker, 1994). Aroma being
one of the most important criteria for the evaluation of
quality, the aroma fraction, though produced mainly
during the roasting process (Baltes & Bochman, 1987;
Baltes, Kunnert-Kirchno€ & Reese, 1989; Parliament,
1989; Tressl, 1989), might be used to di€erentiate the cof-
fees from di€erent geographic origins (Bicchi, Binello,
Pellegrine & Vanni, 1993; Hernandez &Rutledge, 1994;
Mosca, 1994; Tipler, Spragg, Aries & Lidiard, 1991). The
comparison made with the green co€ees from the same
origins has allowed the con®rmation of the roasting
process in¯uence for the aroma development. This paper
describes the use of P&T/GC method for determination of
volatile pattern of green and roasted co€ees from Arabic
and Robusta varieties. This method gives good accuracy
for the aroma fraction determination, however, if a large
desorption time is used bandbroadening of the peaks
occurs (Shimoda & Shibamoto, 1990). Cryofocusing of
the sample, in liquid nitrogen at the head of the column,
during injection can greatly improve the chromatography
(Frank & Frank, 1990; Jurski, Stansky & Ubik, 1991;
Mosca, 1994). Tentative identi®cation of the peaks chosen
as variables for PC (principal component analysis) was
attempted by GCMS.
2. Experimental
2.1. Materials
Samples were a gift from Nestle Portugal SA. The
varieties and suppliers countries of the raw beans are
the usually used by Nestle on the Portuguese market.
Green and roasted Arabica and Robusta co€ee beans
were used in our analyses. Arabica co€ees were produced
in Brazil (B) (Santos 2/3FFRF, S. Paulo and Parana),
Costa Rica (CR, Costa Rica HB, Paci®c Plain and Central
Plateau) and Honduras (H, Honduras HG, St. Barbara, El
Paraiso and Comayagua). Robusta co€ees came from
Ivory Coast (IC, Costa do Mar®m, South from 3/3 of all
the 49 city halls), Angola (A, Angola 2BB, Cabinda and
Ambriz), Uganda (U, Uganda Std Grau 2, a 300 km
radius from Lake Victoria), India (I, IndiaCherry AB,
Karnataka and kevala States) and Cameron (C,
CamaroÄes Grau 1, all provinces except the North
region, specially the Mungo region). All co€ee samples
were from the same manufacturer. Roasting conditions
of Arabica and Robusta were di€erent. Arabica were
submitted to a light roast and Robusta medium to high
roast. According to the manufacturer organoleptic
quality, within the variety, (as determined by a cup test) is
not a€ected by the di€erences of the roasting procedures.
Samples were delivered on hermetically sealed poly-
propylene/aluminium/polypropylene packages hermeti-
cally sealed under vacuum. Immediately after sampling
the bags were again sealed under the same conditions.
2.2. Sample preparation
Nine grams of each roasted co€ee was graded in an
electrical ``Moulinex'' co€ee miller for 30 s immediately
before the analysis. Two sieves of 500 and 250 mm then
sifted the powder. Samples of 1.0 g were taken from the
thinner fraction and use for the analysis.
The samples were placed in a sampling glass tube,
between two pieces of silanized glass wool and the tube
used in the P&T device.
2.3. Gas chromatography
The volatile components from the co€ee samples were
separated in a Carlo Erba 6000 Vega gas chromato-
graph equipped with a ¯ame ionisation detector and a
SuOx-0.1 capillary column (34 m0.35 mm). A Carlo
Erba TDAS 5000 purge and trap injector was used with
direct connection to the gas chromatograph. All sam-
ples were pre-heated at 200 C for 150 s, followed by 600
s of desorption (at the same temperature). The interface
between the injector and the chromatograph was heated
at 210 C. Helium was used as carrier gas at 200 KPa.
200 C of heating for 150 s for headspace development
did not show any changes in colour either for the roasted
or the green co€ees. During desorption (600 s) the vola-
tiles were cryofocused in a 1 m deactivated pre-column
10 cm of which emerged in liquid nitrogen. The chroma-
tograph oven was programmed as follows: 50 C for 5
min, then 50 to 200 C at a linear rate of 5 C/min rate and
20 min at 200 C. The detector temperature was 250 C.
2.4. Gas chromatography±mass spectrometry
Tentative identi®cation was attempted by GC±MS
using an ITD Finnigan Matt associated with a personal
computer. Ion energy of 70 eV and scan time of 1 s was
used for the electron ionisation. GC and sampling con-
ditions were the same as used for GC alone. The open
split interface was kept at 200 C.
2.5. Data processing
Statistical analysis and group separation were accom-
plished with the SYSTAT for WindowsTM version 5.0
from SYSTAT Inc. (Ill. USA) using an IBM 486 personal
computer (PC).
The peaks in the GC pattern to be submitted to PCA
were the 23 major ones and covered the whole aroma
 A.M. Costa Freitas, A.I. Mosca / Food Research International 32 (1999) 565±573 567

chromatogram. The peak areas were processed on a
Shimadzu CR3A computing integrator and manually
introduced on the PC for statistical analysis. Principal
component analysis (PCA) was applied to the mean
areas of three samples  three replicates
3. Results and discussion
From the chromatograms obtained with the 16 co€ee
varieties (5 Robusta and 3 Arabica,) the 23 major peaks
were chosen to use as variables for PCA analysis. The
total area of these 23 peaks was correspondent to
almost 80% of the total chromatographic areas when
roasted co€ees chromatograms were considered (Fig. 1).
Peaks were tentatively identi®ed after GC±MS analysis.
Tentative identi®cations are shown in Table 1. PCA is
now a well established tool for interpretation of chemical
data and several examples of applications and of the basic
features of the method are now available on the literature
(Bicchi et al 1995; Bicchi, Binello, Legovich, Pellegrio &
Vanni, 1993; Gomes da Silva & Neves, 1997; Hernandez &
Rutledge, 1994; Martin, Pablos & Gonzalez, 1996; Vas-
concelos & Neves, 1989). The ®rst step in PCA is the choice
of the similarity measure. The similarity measure chosed
was the covariance matrix. The values obtained are a
measure of the association degree between variables. Each
matrix was prepared with the mean values (three repli-
cates) of the areas of each 23 peaks used as variables. The
values were normalised using the z-transform.
The next step on PCA is the eigenvectors extraction
from the matrix to obtain the so-called principal com-
ponents (uncorrelated variables). Principal components
(PCs) are linear combinations of all the original vari-
ables and expand the maximum variance in the vari-
ables. The PC loadings are coecients of the correlation
between the variables vectors and the PCs. The PC
scores are the coordinates of the sample points on PCs.
When these scores are plotted against the PCs, similar
samples tend to group together.

Fig. 1. Total ion chromatogram of a roasted co€ee (expanded to see location).

Table 1
Tentative identi®cation by spectral library (Wiley, 1989) of the peaks responsible for di€erentiation obtained when PCA analysis is applied

Peak No. Retention time Tentative identi®cation Molecular weight

2 0.90 Pyrazine-3-ethyl-2,5-dimethyl 136

8 5.36 2-Pyridinecarboxylic acid 123
9 8.05 Methyl-pyrazine 94
11 19.96 1H-pyrrole-2-carboxaldheyde-5-methyl 110
12 20.39 Pyrazine 82
13 21.29 2-Furanomethanol, acetate 140
15 22.99
-butyrolactone 86
16 24.02 Furan, 3-Pentyl- 138
17 30.38 Unknown (phenolic compound) 220
18 31.35 Pyrrole, 4-ethyl-2-methyl 109
20 32.19 3H-pyrazole-3-one, 2,4-dihydro-2-methyl-5-phenyl 174
568 A.M. Costa Freitas, A.I. Mosca / Food Research International 32 (1999) 565±573
Fig. 2 and 3 show the plot of the scores obtained for
the two ®rst PCs of the roasted Arabica and Robusta
co€ees used. The matrix used was 15 cases (each case
being the mean value of three replicates)  23 variables
for the Robusta variety and 9 (each case being the mean
value of three replicates) cases  23 variables for the
Arabica varieties.
The aroma fraction of the Arabica varieties seem to
be giving better results in terms on grouping according
to geographical origin. The two principal components in
this analysis account for the explanation of 71.7% of
the total variance. Brazilian co€ees are deeply a€ected
by peaks nos. 11 and 16, whilst peaks nos. 15, 13 and 9
seem to allow the di€erentiation of the Costa Rica
varieties. Honduras varieties do not seem to be deeply
a€ected by this set of peaks. All other variables do not
have in¯uence on this di€erentiation (Fig. 4).
Grouping in Robusta variety is also in accordance
with geographical origin although not so clearly. The
two principal components used for the representation
account for 49.8% of the total variance. Peaks nos. 2,
17 and 7 are clearly associated with the co€ees from
Ivory Coast whilst peaks nos. 13 and 11 are the major
responsible for the group separation of the Indian vari-
eties. Uganda Angola and Cameron are more associated
to each other and are mainly dependent on peaks nos. 6
and 18 (Fig. 5).
Arabica is usually the co€ee used in blends for the
aroma e€ect and Robusta the one used for taste and
Fig. 2. Plot of the PCA scores obtained for the two ®rst principal components that characterize the Arabica varieties. B-Brasil; H-Honduras; Cr-
Costa Rica.
body (Correia, 1990). This statement is in good agree-
ment to the fact that Arabica co€ees are better grouped
when, as in this study, only the aroma results is used to
achieve group separation. When PCA is applied as a
reduction feature to the results of the Arabica and
Robusta co€ees together, eight variables were found
that are highly uncorrelated and account for 53.4% of the
total variance. The matrix used had 24 cases (each case
being the mean value of three replicates)23 variables.
The plot of the two principal components scores, (Fig. 6)
shows a clear cut between Arabica and Robusta varieties.
Peaks nos. 11 and 16 clearly a€ect the Robusta varieties.
Ivory Coast co€ees are similar to the Robusta ones
according to this results whilst the Costa Rica varieties
are far apart from the others and deeply characterised
by peaks nos. 8, 19, 12 and 2. Brazilian co€ees are
completely at the opposite side and we can consider
them to be a€ected by peak nos. 20, 21 and 18 (Fig. 7).
It can also be seen in the ®gure that the distribution of
the samples follows a pattern. The separation between
the classes is related to the geographical origin, and the
Arabica varieties are better classi®ed than the Robusta
ones. This is, again, consistent with the fact than aroma,
in a co€ee blend, is mainly due to the % of Arabica
which is re¯ected by the smaller in¯uence volatiles have
on identifying Robusta, varieties.
The in¯uence of roasting is clearly demonstrated when
green co€ees, of the same origins, are analysed together
with the roasted ones. Green co€ees are completely
 A.M. Costa Freitas, A.I. Mosca / Food Research International 32 (1999) 565±573 569

Fig. 3. Plot of the PCA scores obtained for the two ®rst principal components the characterise the Robusta varieties. I-India; A-Angola; Ic-Ivory
Coast; Cm-Camaron; U-Uganda.

Fig. 4. Plots of factor loadings for the ®rst and second PCA of a test of Arabica co€ees. For numbers identi®cations see Table 1.
570 A.M. Costa Freitas, A.I. Mosca / Food Research International 32 (1999) 565±573

Fig. 5. Plots of factor loadings for the ®rst and second PCA of a test of Robusta co€ees. For numbers identi®cations see Table 1.

Fig. 6. Plot of the PCA scores obtained for the two ®rst PCs that characterize roasted Arabica and Robusta varieties. Letters as in Figs 1 and 2.
 A.M. Costa Freitas, A.I. Mosca / Food Research International 32 (1999) 565±573 571

Fig. 7. Plots of factor loadings for the ®rst and second PCA of a test set of roasted Arabica and Robusta co€ees. For numbers identi®cations see
Table 1.

Fig. 8. Plot of the PCA scores obtained for the two ®rst principal components that characterise a set of green and roasted Arabica and Robusta
varieties. Letters as in Figs 1 and 2 except for green co€ees that are not di€erentiated.
572 A.M. Costa Freitas, A.I. Mosca / Food Research International 32 (1999) 565±573

separated from the roasted ones and grouping wasn't and roasted co€ees were very well separated, as expected.
found according to geographic or variety origin. Green Clustering of roasted co€ees showed a grouping by variety
co€ees are all concentrated in the same point of the plot (Arabica and Robusta) and within the variety by geo-
(Fig. 8). By the analysis of Fig. 9 green co€ees are graphical origin (Fig. 10). Brazilian co€ee is an exception
characterized by peaks 2, 3, 5, 6, 7 and 17 mostly whilst (Fig. 10), which is in good agreement to the known fact
roasted co€ees are mainly characterized by the other that Brazilian co€ee has an o€-¯avour very unique and
peaks (Fig. 9). This is obvious from the GC pattern since characteristic (Spadone et al., 1990). Varieties from clo-
green co€ees have some of the 23 peaks used for PCA ser countries were also grouped together. Table 1 has
missing or in amounts not detectable (green co€ees have the tentative identi®cations of the peaks that account
only peaks through 7 and peak 17) due to the fact that
aroma is mostly developed during roasting and is deeply
in¯uenced by the technology and temperature used in
processing (Takeoka et al., 1988). In this case roasting has
not been standardised and Arabica and Robusta were
roasted with two di€erent roasting processes according to
the manufacturer and roast was controlled by a cup test.
When the same roasting process is used a clear cut
between Arabica and Robusta varieties is also seen but
the separation among Arabica varieties is not clear
(Wada, Seiichi, Hitoshi, Mitsuya & Yutaka, 1987).
Roasting in¯uence is, however, well demonstrated since
neither geographic origin nor variety have any in¯uence
on green co€ees di€erentiation. The matrix used had 32
(243 for the roasted co€ees cases and 83 for the
green ones)23 variables and the two ®rst PCs accoun-
ted for 57.4% of the total variance. To verify similarity
between the samples and to single out some classes
Hierarchical Cluster Analysis (HCA) was applied to the
reduced set of variables obtained with PCA analysis.
The samples were clustered using the single linkage
method and Euclidean distance was taken as a measure
of the proximity between samples. The similarity values Fig. 10. Cluster analysis of roasted and green co€ees. Letters as in
for the linkage were represented by a dendogram. Green Figs. 1 and 2.

Fig. 9. Plots of factor loadings for the ®rst and second PCA of a test set of green and roasted Arabica and Robusta varieties. For numbers identi-
®cations see Table 1.
 A.M. Costa Freitas, A.I. Mosca / Food Research International 32 (1999) 565±573
for di€erentiation of the samples studied and analysed.
Tentative identi®cation was attempted by GC±MS.
Acknowledgements
We thank Nestle Portugal SA for the gift of the samples
and Junta Nacional de InvestigacËaÄo Cientõ®ca e TecnoloÂ-
gica (J.N.I.C.T.) for ®nancial support, project PBIC/C/
CEN/1041/92 A. I. Mosca thanks J.N.I.C.T. for a grant.
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