Page 15 - Shimadzu Journal vol.3 Issue2

Metabolomics

molecules. The results suggested the practicability of using GC/FID 5 Marcone, M. F. Composition and properties of Indonesian palm
for metabolite fingerprinting of coffee beans as it provided higher civet coffee (Kopi Luwak) and Ethiopian civet coffee. Food Res
sensitivity over a similar range of detected compounds than Int. 2004, 37, 901−912.
GC/MS analysis. 6 Blow, N. Metabolomics: biochemistry’s new look. Nature. 2008,
We carried out a comparison of the multivariate analyses obtained
455, 697-700.
from GC/MS analysis with that of GC/FID in order to evaluate the
2
performance quality of the latter platform . Based on the results 7 Wei, F.; Furihata, K.; Koda, M.; Hu, F.; Kato, R.; Miyakawa, T.;
13
of multivariate analyses, we could confirm the practicability of the Tanokura, M. C NMR-based metabolomics for the classification
GC/FID coupled to metabolite fingerprinting strategy for rapid of green coffee beans according to variety and origin. J. Agric.
discrimination and prediction of new samples with statistical Food Chem. 2012, 60, 10118-10125.
significance (Fig. 6). 8 Pongsuwan, W.; Fukusaki, E.; Bamba, T.; Yonetani, T.;
Finally, a set of commercial samples from the coffee market has Yamahara, T.; Kobayashi, A. Prediction of Japanese green tea
been analyzed to provide scientific evidence of the GC/FID ranking by gas chromatography/mass spectrometry-based
application in the coffee industry. Since processing commercial hydrophilic metabolite profiling. J. Agric. Food Chem. 2007, 55,
samples is based on the customers’ preference, the roasting 231-236.
temperature may vary from experimental coffee. Commercially
9 Jonsson, P.; Johansson, E. S.; Wuolikainen, A.; Lindberg, J.;
available regular and civet coffee were selected from different
Schuppe-Koistinen, I.; Kusano, M.; Sjostrom, M.; Trygg, J.;
production areas. To set the validation threshold, we acquired two
Moritz, T.; Antti, H. Predictive metabolite profiling applying
authentic civet coffees from different production years as
hierarchical multivariate curve resolution to GC-MS data — a
benchmark samples. Furthermore, a total of 9 coffee blends were
potential tool for multi-parametric diagnosis. J. Prot. Res. 2006,
prepared from the combination of each commercial sample with
5, 1407–1414.
mixing ratio of 50:50 (wt %). These four differentiation
parameters, occurrence of perturbation, production area, roasting 10 Wiklund, S.; Johansson, E.; Sjostrom, L.; Mellerowicz, E. J.;
parameter and mixing ratio, would present comprehensive Edlund, U.; Shockcor, J. P.; Gottfries, J.; Moritz, T.; Trygg, J.
coverage for validation. The validation experiment was successful Visualization of GC/TOF-MS-based metabolomics data for
to verify the feasibility of employing the significant variables identification of biochemically interesting compounds using
obtained from GC/FID for practical use in authentication of Kopi OPLS class models. Anal. Chem. 2008, 80, 115–122.
Luwak. 11 Tusher, V.G.; Tibshirani, R.; Chu, G. Significance analysis of
microarrays applied to the ionizing radiation response. Proc. Natl
Conclusion Acad. Sci. USA. 2001, 98, 5116-5121.
12 Tsugawa, H.; Tsujimoto, Y.; Arita, M.; Bamba, T.; Fukusaki, E.
Our findings highlighted the utility of metabolic profiling using
GC/MS combined with multivariate analysis for selection of GC/MS based metabolomics: development of a data mining
discriminant marker for authenticity assessment of valuable system for metabolite identification by using soft independent
agricultural products. Once the discriminant markers have been modeling of class analogy (SIMCA). BMC Bioinf. 2011, 12,
identified, we propose the utility of GC/FID coupled with 131–143.
metabolite fingerprinting as a good complementary and cost 13 Dalluge, J.; Vreuis, R. J. J., van Iperen, D. J.; van Rijn, M.;
effective analysis platform for quality assessment of civet coffee. Brinkman, U. A. T. Resistively heated gas chromatography
The GC/FID system offered high-speed analysis for coffee quality coupled to quadrupole mass spectrometry. J. Sep. Sci. 2002, 25,
assessment. This advantage can be beneficial to manufacturers for 608-614.
quality control, especially for authentication of commercial coffee
14 http://www.shimadzu.com/an/gcms/qpultra.html
and other agricultural products in industrial scale.
(Last access: May 7, 2015)
15 Wermelinger, T.; D’Ambrosio, L.; Klopproge, B.; Yeretzian, C.
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