1H nuclear magnetic resonance-based metabolomic characterization of wines by grape varieties and production areas

Journal of Agricultural and Food Chemistry

Volumn 56, Issue 17, 2008, Pages 8007-8016

  Son, Hong Seok ^a   Ki, Myong Kim ^a   Van Den Berg, Frans ^b   Hwang, Geum Sook ^c   Park, Won Mok ^a   Lee, Cherl Ho ^a   Hong, Young Shick ^a  

^a Korea University   (South Korea)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

^c Korea Basic Science Institute (KBSI)   (South Korea)

Author keywords

Metabolites; Metabolomics; NMR; PCA; PLS DA; Wine

Indexed keywords

VITACEAE;

PROLINE;

ARTICLE; AUSTRALIA; CHEMISTRY; COMPARATIVE STUDY; DISCRIMINANT ANALYSIS; FRANCE; FRUIT; GRAPE; KOREA; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; REGRESSION ANALYSIS; SPECIES DIFFERENCE; UNITED STATES; WINE;

AUSTRALIA; CALIFORNIA; DISCRIMINANT ANALYSIS; FRANCE; FRUIT; KOREA; LEAST-SQUARES ANALYSIS; MAGNETIC RESONANCE SPECTROSCOPY; PROLINE; SPECIES SPECIFICITY; VITIS; WINE;

EID: 52649166791     PISSN: 00218561     EISSN: None     Source Type: Journal    
DOI: 10.1021/jf801424u     Document Type: Article

References (49)

1. Clayton, T. A.; Lindon, J. C.; Cloarec, O.; Antti, H.; Charuel, C.; Hanton, G.; Provost, J. P.; Le Net, J. L.; Baker, D.; Walley, R. J.; Everett, J. R.; Nicholson, J. K. Pharmaco-metabonomic phenotyping and personalized drug treatment. Nature 2006, 440, 1073-1077.
2. Nicholson, J. K.; Connelly, J.; Lindon, J. C.; Holmes, E. Metabonomics: A platform for studying drug toxcity and gene function. Nat. Rev. Drug Discovery 2002, 1, 153-161.
3. Coen, M.; Hong, Y. S.; Clayton, T. A.; Rohde, C. M.; Pearce, J. T.; Reily, M. D.; Robertson, D. G.; Holmes, E.; Lindon, J. C.; Nicholson, J. K. The mechanism of galactosamine toxicity revisited; A metabonomic study. J. Proteome Res. 2007, 6, 2711-2719.
4. Brindle, J. T.; Antti, H.; Holmes, E.; Tranter, G.; Nicholson, J. K.; Bethell, H. W. L.; Clarke, S.; Schofield, P. M.; McKilligin, E.; Mosedale, D. E.; Grainger, D. J. Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using H-1-NMR-based metabonomics. Nat. Med. 2002, 8, 1439-1444.
5. Holmes, E.; Tsang, T. M.; Huang, J. T. J.; Leweke, F. M.; Koethe, D.; Gerth, C. W.; Nolden, B. M.; Gross, S.; Schreiber, D.; Nicholson, J. K.; Bahn, S. Metabolic profiling of CFS: Evidence that early intervention may impact on disease progress and outcome in schizophrenia. PLOS Med. 2006, 3, 1420-1428.
6. Wang, Y.; Tang, H.; Nicholson, J. K.; Hylands, P. J.; Sampson, J.; Holmes, E. A metabonomic strategy for the detection of the metabolic effects of chamomile (Matricaria recutita L.) ingestion. J. Agric. Food Chem. 2005, 53, 191-196.
7. Solanky, K. S.; Bailey, N. J.; Bechwith-Hall, B. M.; Bingham, S.; Davis, A.; Holmes, E.; Nicholson, J. K.; Cassidy, A. Biofluid 1H NMR-based metabonomic techniques in nutrition research-metabolic effects of dietary isoflavones in humans. J. Nutr. Biochem. 2005, 16, 236-244.
8. Fiehn, O. Combining genomics, metabolome analysis, and biochemical modelling to understand metabolic networks. Comp. Funct. Genom. 2001, 2, 155-168.
9. Nicholson, J. K.; Lindon, J. C.; Holmes, E. 'Metabonomics': Understanding the metabolic response of living systems to pathophysiologica stimuli via multivariate statistical analysis of biological NMR spectroscopic data. Xenobiotica 1999, 29, 1181-1189.
10. Crockford, D. J.; Holmes, E.; Lindon, J. C.; Plumb, R. S.; Zirah, S.; Bruce, S. J.; Rainville, P.; Stumpf, C. L.; Nicholson, J. K. Statistical heterospectroscopy, an approach to the integrated analysis of NMR and UPLC-MS data sets: Application in metabonomic toxicology studies. J. Proteome Res. 2006, 78, 363-371.
11. Keun, H. C.; Ebbels, T. M. D.; Antti, H.; Bollard, M. E.; Beckonert, O.; Holmes, E.; Lindon, J. C.; Nicholson, J. K. Improved analysis of multivariate data by variable stability scaling: Application to NMR-based metabolic profiling. Anal. Chim. Acta 2003, 490, 265-276.
12. Lindon, J. C.; et al. Summary recommendations for standardization and reporting of metabolic analyses. Nat. Biotechnol. 2005, 23, 833-838.
13. Bechonert, O.; Keun, H. C.; Ebbels, T. T. D.; Bundy, J.; Holmes, E.; Lindon, J. C.; Nicholson, J. K. Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts. Nat. Protoc. 2007, 2, 2692-2703.
14. Dumas, M. E.; Wilder, S. P.; Bihoreau, M. T.; Barton, R. H.; Fearnside, J. F.; Argoud, K.; D'Amato, L.; Wallis, R. H.; Blancher, C.; Keun, H. C.; Baunsgaard, D.; Scott, J.; Sidelmann, U. G.; Nicholson, J. K.; Gauguier, D. Direct quantitative trait locus mapping of mammalian metabolic phenotypes in diabetic and normoglycemic rat models. Nat. Genet. 2007, 39, 666-672.
15. Rantalainen, M.; Cloarec, O.; Bechnert, O.; Wilson, I. D.; Jackson, d.; Tonge, R.; Rowlinson, R.; Rayner, S.; Nickson, J.; Wilkinson, R. w.; Mills, J. D.; Trygg, J.; Nicholson, J. K.; Holmes, E. Statistically integrated metabonomic-proteomic studies on a human prostate cancer xenograft model in mice. J. Proteome Res 2006, 5, 2642-2655.
16. Nicholson, J. K.; Wilson, I. D. Understanding 'global' systems biology: Metabonomics and the continuum of metabolism. Nat. Rev. Drug Discovery 2003, 2, 668-676.
17. Kleemann, R.; et al. Atherosclerosis and liver inflammation induced by increased dietary cholesterol intake: A combined transcriptomics and metabolomics analysis. Genome Biol. 2007, 8, R200.
18. Li, M.; et al. Symbiotic gut microbes modulate human metabolic phenotypes. PNAS 2008, 106, 2117-2122.
19. Davis, C. D.; Hord, N. G. Nutritional "omics" technologies for elucidating the role(s) of bioactive food components in colon cancer prevention. J. Nutr. 2005, 135, 2694-2697.
20. 1H NMR and chemometrics to characterize mature grape berries in four wine-growing areas in Bordeaux, France. J. Agric. Food Chem. 2005, 53, 6382-6389.
21. Pereira, G. E.; Gaudillere, J. P.; Van Leeuwen, C.; Hilbert, G.; Maucourt, M.; Deborde, C.; Moing, A.; Rolin, D. 1H NMR metabolite fingerprints of grape berry: Comparison of vintage and soil effects in Bordeaux grapevine growing areas. Anal. Chim. Acta 2006, 563, 346-352.
22. Pereira, G. E.; Gaudillere, J. P.; Van Leeuwen, C.; Hilbert, G.; Maucourt, M.; Deborde, C.; Moing, A.; Rolin, D. 1H-NMR metabolic profiling of wines from three cultivars, three soil types and two contrasting vintages. J. Int. Sci. Vigne Vin. 2007, 41, 103-109.
23. Brescia, M. A.; Caldarola, V.; De Giglio, A.; Benedetti, D.; Fanizzi, F. P.; Sacco, A. Characterization of the geographical origin of Italian red wines based on traditional and nuclear magnetic resonance spectrometric determinations. Anal. Chim. Acta 2002, 458, 177-186.
24. Larsen, F. H.; van den Berg, F.; Engelsen, S. B. An exploratory chemometric study of 1H NMR spectra of table wines. J. Chemom. 2006, 20, 198-208.
25. Kosir, I.; Kocjancic, M.; Kidric, J. Wine analysis by 1D and 2D NMR spectroscopy. Analusis 1998, 26, 97-101.
26. 1H NMR metabolomics data. Anal. Chem. 2006, 78, 4430-4442.
27. Amaral, F. M.; Caro, M. S. B. Investigation of different preconcentration methods for NMR analyses of Brazilian white wine. Food Chem. 2005, 93, 507-510.
28. Cambon, B.; Monteil, V.; Remize, F.; Camarasa, C.; Dequin, S. Effects of GPD1 overexpression in Saccharomyces cerevisiae commercial wine yeast strains lacking ALD6 genes. Appl. Environ. Microb. 2006, 72, 4688-4694.
29. Remize, F.; Roustan, L.; Sablayrolles, M.; Barre, P.; Dequin, S. Glycerol overproducion by engineered Saccharomyces cerevisiae wine yeast strains leads to substantial changes in by-product formation and to a stimulation of fermentation rate in stationary phase. Appl. Environ. Microb. 1999, 65, 143-149.
30. Romano, P.; Suzzi, G.; Mortimer, R.; Polsinelli, M. Production of high levels of acetoin in Saccharomyces cerevisiae wine yeast is a recessive trait. J. Appl. Bacteriol. 1995, 78, 169-174.
31. Romano, P.; Brandolini, V.; Ansaloni, C.; Menziani, E. The production of 2,3-butanediol as a differentiating character in wine yeasts. World J. Microbiol. Biotechnol. 1998, 14, 649-653.
32. Sponholz, W. R.; Dittrich, H. H.; Muno, H. Diols in wine. Vitic. Enol. Sci. 1993, 49, 23-26.
33. Gardner, N.; Rodrigue, N.; Champagne, C. P. Combined effects of sulfites, temperature, and agitation time on production of glycerol in grape juice by Saccharomyces cerevisiae. Appl. Environ. Microbiol. 1993, 59, 2022-2028.
34. Radler, F.; Shulz, H. Glycerol production of various strains of Saccharomyces. Am. J. Enol. Vitic. 1982, 33, 36-40.
35. Rankine, B. C.; Bridson, D. A. Glycerol in Australian wines and factors influencing its formation. Am. J. Enol. Vitic. 1971, 22, 2-12.
36. Noble, A. C.; Bursick, G. F. The contribution of glycerol to perceived viscosity and sweetness in white wine. Am. J. Enol. Vitic. 1984, 35, 110-112.
37. Jackson, R. S. Wine Science, Principles, Practice, Perception, 2nd ed.; Academic Press: San Diego, 2000.
38. Perez, L.; Valcarcel, M. J.; Gonzalez, P.; Domecq, B. Influence of Botrytis infection of the grapes on the biological aging process of fine sherry. Am. J. Enol. Vitic. 1991, 42, 58-62.
39. Thoukis, G.; Ueda, M.; Wright, D. The formation of succinic acid during alcoholic fermentation. Am. J. Enol. Vitic. 1965, 16, 1-8.
40. Avenoza, A.; Busto, J. H.; Canal, N.; Peregrina, J. M. Time course of the evolution of malic and lactic acid in the alcoholic and malolactic fermentation of grape must by quantitative 1H NMR (qHNMR) spectroscopy. J. Agric. Food Chem. 2006, 54, 4715-4720.
41. Margalit, Y. Concepts in Wine Chemistry; The Wine Appreciation Guild: South San Francisco, 2004.
42. Stines, A. P.; Grubb, J.; Gockowiak, H.; Henschke, P. A.; Hoj, P. B.; Heewijck, R. V. Proline and arginine accumulation in developing berries of V. vinifera in Australian vineyards: Influence of vine cultivar, berry maturity and tissue type. Aust. J. Grape Wine Res. 2000, 6, 150-158.
43. Du Toit, P. G.; Dry, P. R.; Loveys, B. R. A preliminary investigation on partial rootzone dyying (PRD) effects on grapevine performance, nitrogen assimilation and berry composition. S. Afr. J. Enol. Vitic. 2003, 24, 43-54.
44. Bennick, A. Salivary proline-rich proteins. Mol. Cell. Biochem. 1982, 45, 83-99.
45. Hagerman, A. E.; Butler, L. G. The specificity of proanthcyanidin-protein interactions. J. Biol. Chem. 1981, 256, 4494-4497.
46. Clarke, R. J.; Bakker, J. Wine Flavour Chemistry; Blackwell Publishing: Oxford, 2004.
47. Etschmann, M. M. W.; Buemke, W.; Sell, D.; Schrader, J. Biotechnology production of 2-phenylethanol. Appl. Microbiol. Biotechnol. 2002, 59, 1-8.
48. Etschmann, M. M. W.; Sell, D.; Schrader, J. Screening of yeasts for the production of the aroma compound 2-phenylethanol in a molasses-based medium. Biotechnol. Lett. 2003, 25, 531-536.
49. Wittman, C.; Hans, M.; Bluemke, W. Metabolic physiology of aroma-producing Kluyveromyces marxianus. Yeast 2002, 19, 1351-1363.