Differentiation of wines according to grape variety using multivariate analysis of comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection data

Food Chemistry

Volumn 141, Issue 4, 2013, Pages 3897-3905

  Welke, Juliane Elisa ^a,c   Manfroi, Vitor ^a   Zanus, Mauro ^b   Lazzarotto, Marcelo ^c   Zini, Cláudia Alcaraz ^a  

^a FEDERAL UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

^b EMBRAPA UVA E VINHO   (Brazil)

^c EMBRAPA CERRADOS   (Brazil)

Author keywords

Fisher ratio; GC GC TOFMS; PCA; Volatile compounds; Wine

Indexed keywords

CHROMATOGRAPHY; DISCRIMINANT ANALYSIS; DRUG PRODUCTS; MASS SPECTROMETERS; MASS SPECTROMETRY; MULTIVARIANT ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; SMOKE DETECTORS; SPECTROMETRY; VOLATILE ORGANIC COMPOUNDS; WINE;

COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY; FISHER RATIO; HEADSPACE SOLID PHASE MICROEXTRACTION; MASS SPECTROMETRIC DETECTION; MASS SPECTROMETRIC DETECTORS; STEPWISE LINEAR DISCRIMINANT ANALYSIS; TIME OF FLIGHT MASS SPECTROMETRY; VOLATILE COMPOUNDS;

GAS CHROMATOGRAPHY;

VOLATILE AGENT;

ALGORITHM; ARTICLE; CULTIVAR; DISCRIMINANT ANALYSIS; GAS CHROMATOGRAPHY; GRAPE; MULTIVARIATE ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; RED WINE; RELIABILITY; SOLID PHASE MICROEXTRACTION; TIME OF FLIGHT MASS SPECTROMETRY; WHITE WINE;

VITACEAE;

FISHER RATIO; GC×GC/TOFMS; PCA; VOLATILE COMPOUNDS; WINE;

DISCRIMINANT ANALYSIS; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; MASS SPECTROMETRY; MULTIVARIATE ANALYSIS; VITIS; VOLATILE ORGANIC COMPOUNDS; WINE;

EID: 84884662110     PISSN: 03088146     EISSN: 18737072     Source Type: Journal    
DOI: 10.1016/j.foodchem.2013.06.100     Document Type: Article

References (75)

1. Addor, F., & Grazioli, A. (2002). Geographical indications beyond wines and spirits. Journal of World Intellectual Property, 5, 865.
2. Armanino, C., Casolino, M. C., Casale, M., & Forina, M. (2008). Modelling aroma of three Italian red wines by headspace-mass spectrometry and potential functions. Analytica Chimica Acta, 614, 134-142.
3. Aznar, M., Lopez, R., Cacho, J., & Ferreira, V. (2001). Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions. Journal of Agricultural and Food Chemistry, 49, 2924-2929. (Pubitemid 32826090)
4. Beens, J., Janssen, H.-G., Adahchour, M., & Brinkman, U. A. T. (2005). Flow regime at ambient outlet pressure and its influence in comprehensive two-dimensional gas chromatography. Journal of Chromatography A, 1086, 141-150. (Pubitemid 41033280)
5. Berrueta, L. A., Alonso-Salces, R. M., & Heberger, K. (2007). Supervised pattern recognition in food analysis. Journal of Chromatography A, 1158, 196-214. (Pubitemid 47021153)
6. Boido, E., Lloret, A., Medina, K., Farina, L., Carrau, F., Versini, G., et al. (2003). Aroma composition of Vitis vinifera Cv. Tannat: The typical red wine from Uruguay. Journal of Agricultural and Food Chemistry, 51, 5408-5413.
7. Brenna, E., Fuganti, C., & Serra, S. (2003). Enantioselective perception of chiral odorants. Tetrahedron: Asymmetry, 14, 1-42. (Pubitemid 36120574)
8. Câmara, J. S., Alves, M. A., & Marques, J. C. (2006). Multivariate analysis for the classification and differentiation of Madeira wines according to main grape varieties. Talanta, 68, 1512-1521. (Pubitemid 43144508)
9. Cardeal, Z. L., Souza, P. P., Gomes da Silva, M. D. R., & Marriott, P. J. (2008). Comprehensive two-dimensional gas chromatography for fingerprint pattern recognition in cachaça production. Talanta, 74, 793-799.
10. Choi, H. S. (2003). Character impact odorants of Citrus hallabong (C-unshiu Marcov C-sinensis Osbeck) X C-reticulata Blanco cold-pressed peel oil. Journal of Agricultural and Food Chemistry, 51, 2687-2692.
11. Clarke, R. J., & Bakker, J. (2004). Wine flavour chemistry. Oxford: Blackwell Publishing.
12. Condurso, C., Verzera, A., Romeo, V., Ziino, M., & Conte, F. (2008). Solid-phase microextraction and gas chromatography mass spectrometry analysis of dairy product volatiles for the determination of shelf-life. International Dairy Journal, 18, 819-825.
13. Dall'Asta, C., Cirlini, M., Morini, E., & Galaverna, G. J. (2011). Brand-dependent volatile fingerprinting of Italian wines from Valpolicella. Journal of Chromatography A, 1218, 7557-7565.
14. Du, X., Song, M., & Rouseff, R. (2011). Identification of new strawberry sulfur volatiles and changes during maturation. Journal of Agricultural and Food Chemistry, 59, 1293-1300.
15. Esti, M., & Tamborra, P. (2006). Influence of winemaking techniques on aroma precursors. Analytica Chimica Acta, 563, 173-179.
16. Fan, Y., & Qian, M. C. (2006). Characterization of aroma compounds of Chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis. Journal of Agricultural and Food Chemistry, 54, 2695-2704.
17. FAO/WHO. (2010). Joint FAO/WHO expert committee on food additives. JECFA monographs 10. Compendium of food additive specifications. 73rd meeting.
18. Ferrari, G., Lablanquie, O., Cantagrel, R., Ledauphin, H., Payot, T., Fournier, N., et al. (2004). Journal of Agricultural and Food Chemistry, 52, 5670-5676.
19. Ferreira, V., Aznar, M., Lopez, R., & Cacho, J. (2001). Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Key differences in the odor profiles of four high-quality Spanish aged red wines. Journal of Agricultural and Food Chemistry, 49, 4818-4824. (Pubitemid 32990025)
20. Ferretti, G., Maggi, F., & Tirillini, B. (2005). Essential oil composition of Hypericum richeri Vill. from Italy. Flavour and Fragrance Journal, 20, 295-298. (Pubitemid 40662824)
21. Fisher, R. A. (1936). The use of multiple measurements in taxonomic problems. Annals of Eugenics, 7, 179-188.
22. Frohlich, O., Duque, C., & Schreier, P. (1989). Volatile constituents of curuba (Passiflora mollissima) fruit. Journal of Agricultural and Food Chemistry, 37, 421-425.
23. Garcia, C. V., Quek, S.-Y., Stevenson, R. J., & Winz, R. A. (2011). Characterization of the bound volatile extract from baby kiwi (Actinidia arguta). Journal of Agricultural and Food Chemistry, 59, 8358-8365.
24. Garcia-Carpintero, E. G., Gallego, G. M. A., Sánchez-Palomo, E., & Gonzalez-Viñas, M. A. (2012). Impact of alternative technique to ageing using oak chips in alcoholic or in malolactic fermentation on volatile and sensory composition of red wines. Food Chemistry, 134, 851-863.
25. Garcia-Carpintero, E. G., Sanchez-Palomo, E., Gallego, M. A. G., & Gonzalez-Viñas, M. A. (2011a). Volatile and sensory characterization of red wines from cv. Moravia Agria minority grape variety cultivated in La Mancha region over five consecutive vintages. Food Research International, 44, 1549-1560.
26. Garcia-Carpintero, E. G., Sanchez-Palomo, E., & Gonzalez-Viñas, M. A. (2011b). Aroma characterization of red wines from cv. Bobal grape variety grown in La Mancha region. Food Research International, 44, 61-70.
27. Genovese, A., Gambuti, A., Piombino, P., & Moio, L. (2007). Sensory properties and aroma compounds of sweet Fiano wine. Food Chemistry, 103, 1228-1236. (Pubitemid 46467113)
28. Green, J. A., Parr, W. V., Breitmeyer, J., Valentin, D., & Sherlock, R. (2011). Sensory and chemical characterization of Sauvignon Blanc wine: Influence of source of origin. Food Research International, 44, 2788-2797.
29. Guntert, M., Bruning, J., Emberger, R., Kopsel, M., Kuhn, W., Thielmann, T., et al. (1990). Identification and formation of some selected sulfur-containing flavor compounds in various meat model systems. Journal of Agricultural Food Chemistry, 38, 2027-2041.
30. Gurbuz, O., Rouseff, J. M., & Rouseff, R. L. (2006). Comparison of aroma volatiles in commercial merlot and cabernet sauvignon wines using gas chromatographyolfactometry and gas chromatographymass spectrometry. Journal of Agricultural Food Chemistry, 54, 3990-3996. (Pubitemid 44030581)
31. Jolliffe, I. T. (2002). Principal Component Analysis. New York: Springer
32. Koundouras, S., Marinos, V., Gkoulioti, A., Kotseridis, Y., & van Leeuwen, C. J. (2006). Influence of vineyard location and vine water status on fruit maturation of nonirrigated cv. Agiorgitiko (Vitis vinifera L.). Effects on wine phenolic and aroma components. Journal of Agricultural and Food Chemistry, 54, 5077-5086. (Pubitemid 44140905)
33. Krist, S., Stuebiger, G., Bail, S., & Unterweger, H. (2006). Detection of adulteration of poppy seed oil with sunflower oil based on volatiles and triacylglycerol composition. Journal of Agricultural and Food Chemistry, 54, 6385-6389. (Pubitemid 44367606)
34. Le Quere, J. L., & Latrasse, A. (1990). Composition of the essential oils of blackcurrant buds (Ribes nigrum L.). Journal of Agricultural and Food Chemistry, 38, 3-10.
35. Ledauphin, J., Saint-Clair, J. F., Lablanquie, O., Guichard, H., Founier, N., Guichard, D., et al. (2004). Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry. Journal of Agricultural and Food Chemistry, 52, 5124-5134.
36. Lee, K., & Shibamoto, T. (2000). Antioxidant properties of aroma compounds isolated from soybeans and mung beans. Journal of Agricultural and Food Chemistry, 48, 4290-4293.
37. Lin, J. M., & Rouseff, R. L. (2001). Characterization of aroma-impact compounds in cold-pressed grapefruit oil using time-intensity GC-olfactometry and GC-MS. Flavour and Fragrance Journal, 16, 457-463. (Pubitemid 33085723)
38. Marriott, P. J., & Shellie, R. (2002). Principles and applications of comprehensive two-dimensional gas chromatography. Trends in Analytical Chemistry, 21, 573-583.
39. Mello, L. M. R. (2012). Atuação do Brasil no Mercado Vitivinícola Mundial -Panorama 2011. Comunicado Técnico da Embrapa Uva e Vinho. Bento Gonçalves: Embrapa Uva e Vinho.
40. Meret, M., Brat, P., Mertz, C., Lebrun, M., & Guenata, Z. (2011). Contribution to aroma potential of Andean blackberry (Rubus glaucus Benth.). Food Research International, 44, 54-60.
41. Miklosy, E., & Kerenyi, Z. (2004). Comparison of the volatile aroma components in noble rotted grape berries from two different locations of the Tokaj wine district in Hungary. Analytica Chimica Acta, 513, 177-181. (Pubitemid 38624481)
42. Mildner-Szkudlarz, S., & Jelen, H. H. (2008). The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil. Food Chemistry, 110, 751-761.
43. Morales, A. L., & Duque, C. (2002). Free and glycosidically bound volatiles in the mammee apple (Mammea americana) fruit. European Food Research and Technology, 215, 221-226.
44. Nasi, A., Ferranti, P., Amato, S., & Chianese, L. (2008). Identification of free and bound volatile compounds as typicalness and authenticity markers of non-Aromatic grapes and wines through a combined use of mass spectrometric techniques. Food Chemistry, 110, 762-768.
45. Pena, R. M., Barciela, J., Herrero, C., & Garcia-Martin, S. (2005). Optimization of solidphase microextraction methods for GC-MS determination of terpenes in wine. Journal of the Science of Food and Agriculture, 85, 1227-1234. (Pubitemid 40697580)
46. Perestrelo, R., Barros, A. S., Camara, J. S., & Rocha, S. M. (2011). In-depth search focused on furans, lactones, volatile phenols, and acetals as potential age markers of Madeira wines by comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry combined with solid phase microextraction. Journal of Agricultural and Food Chemistry, 59, 3186-3204.
47. Pierce, K. M., Hoggard, J. C., Hope, J. L., Rainey, P. M., Hoofnagle, A. N., Jack, R. M., et al. (2006). Fisher ratio method applied to third-order separation data to identify significant chemical components of metabolite extracts. Analytical Chemistry, 78, 5068-5075. (Pubitemid 44100643)
48. Pierce, K. M., Hoggard, J. C., Mohler, R. E., & Synovec, R. E. (2008). Recent advancements in comprehensive two-dimensional separations with chemometrics. Journal of Chromatography A, 1184, 341-352. (Pubitemid 351296212)
49. Ribéreau-Gayon, P., Glories, Y., & Maujean, A. (2000). Handbook of enology: The chemistry of wine and stabilization and treatments. Bordeaux: John Wiley & Sons.
50. Robinson, A. L., Boss, P. K., Heymann, H., Solomon, P. S., & Trengove, R. D. (2011a). Development of a sensitive non-Targeted method for characterizing the wine volatile profile using headspace solid-phase microextraction comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry. Journal of Chromatography A, 1218, 504-517.
51. Robinson, A. L., Boss, P. K., Heymann, H., Solomon, P. S., & Trengove, R. D. (2011b). Influence of yeast strain, canopy management, and site on the volatile composition and sensory attributes of Cabernet Sauvignon wines from Western Australia. Journal of Agricultural and Food Chemistry, 59, 3273-3284.
52. Rocha, S. M., Coelho, E., Zrostlikova, J., Delgadillo, I., & Coimbra, M. A. (2007). Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry of monoterpenoids as a powerful tool for grape origin traceability. Journal of Chromatography A, 1161, 292-299. (Pubitemid 47088524)
53. Rocha, S. M., Rodrigues, F., Coutinho, P., Delgadillo, I., & Coimbra, M. A. (2004). Volatile composition of Baga red wine -Assessment of the identification of the would-be impact odorants. Analytica Chimica Acta, 513, 257-262. (Pubitemid 38656032)
54. Ryan, D., Watkins, P., Smith, J., Allen, M., & Marriott, P. J. (2005). Analysis of methoxypyrazines in wine using headspace solid phase microextraction with isotope dilution and comprehensive two-dimensional gas chromatography. Journal of Separation Science, 28, 1075-1082. (Pubitemid 40909111)
55. Ryona, I., Pan, B. S., & Sacks, G. L. (2009). Rapid measurement of 3-Alkyl-2-methoxypyrazine content of winegrapes to predict levels in resultant wines. Journal of Agricultural and Food Chemistry, 57, 8250-8257.
56. Sabon, I., de Revel, G., Kotseridis, Y., & Bertrand, A. (2002). Determination of volatile compounds in Grenache wines in relation with different terroirs in the Rhone Valley. Journal of Agricultural and Food Chemistry, 50, 6341-6345. (Pubitemid 35216737)
57. Sampaio, K. L., Garruti, D. S., Franco, B. R. B., Janzantti, N. S., & Da Silva, M. A. A. P. (2011). Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration. Journal of the Science of Food and Agriculture, 91, 1801-1809.
58. Sanz, C., Ansorena, D., Bello, J., & Cid, C. (2001). Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee. Journal of Agricultural and Food Chemistry, 49, 1364-1369. (Pubitemid 32884963)
59. Selli, S., Canbas, A., Cabaroglu, T., Erten, H., & Gunata, Z. (2006). Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment. Food Chemistry, 94, 319-326. (Pubitemid 41065036)
60. Selli, S., & Cayhan, G. G. (2009). Analysis of volatile compounds of wild gilthead sea bream (Sparus aurata) by simultaneous distillation-extraction (SDE) and GC-MS. Microchemical Journal, 93, 232-235.
61. Semard, G., Gouin, C., Bourdet, J., Bord, N., & Livadaris, V. (2011). Comparative study of differential flow and cryogenic modulators comprehensive two-dimensional gas chromatography systems for the detailed analysis of light cycle oil. Journal of Chromatography A, 1218, 3146-3152.
62. Shiratsuchi, H., Shimoda, M., Imayoshi, K., Noda, K., & Osajimat, Y. (1994). Volatile flavor compounds in spray-dried skim milk powder. Journal of Agricultural and Food Chemistry, 42, 984-988.
63. Simon, B. F., Esteruelas, E., Munoz, A. M., Cadahia, E., & Sanz, M. (2009). Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage. Journal of Agricultural and Food Chemistry, 57, 3217-3227.
64. Tao, Y., Li, H., Wang, H., & Zhang, L. (2008). Volatile compounds of young Cabernet Sauvignon red wine from Changli County (China). Journal of Food Composition and Analysis, 21, 689-694.
65. Torrens, J., Riu-Aumatell, M., Lopez-Tamames, E., & Buxaderas, S. (2004). Volatile compounds of red and white wines by headspace-solid-phase microextraction using different fibers. Journal of Chromatographic Science, 42, 310-316.
66. Umano, K., Hagi, Y., Nakahara, K., Shoji, A., & Shibamoto, T. (1992). Volatile constituents of green and ripened pineapple (Ananas comosus [L.] Merr.). Journal of Agricultural and Food Chemistry, 40, 599-603.
67. von Muhlen, C., Zini, C. A., Caramao, E. B., & Marriott, P. J. (2008). Comparative study of Eucalyptus dunnii volatile oil composition using retention indices and comprehensive two-dimensional gas chromatography coupled to time-offlight and quadrupole mass spectrometry. Journal of Chromatography A, 1200, 34-42.
68. Watcharananun, W., Cadwallader, K. R., Huangrak, K., Kim, H., & Lorjaroenphon, Y. (2009). Identification of predominant odorants in Thai desserts flavored by smoking with "Tian Op", a traditional Thai scented candle. Journal of Agricultural and Food Chemistry, 57, 996-1005.
69. Weldegergis, B. T., de Villiers, A., McNeish, C., Seethapathy, S., Mostafa, A., Gorecki, T., et al. (2011). Characterization of volatile components of Pinotage wines using comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC GC-TOFMS). Food Chemistry, 129, 188-199.
70. Welke, J. E., Manfroi, V., Zanus, M., Lazarotto, M., & Zini, C. A. (2012a). Characterization of the volatile profile of Brazilian Merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection. Journal of Chromatography A, 1226, 124-139.
71. Welke, J. E., Zanus, M., Lazarotto, M., Schmitt, K. G., & Zini, C. A. (2012b). Volatile characterization by multivariate optimization of headspace-solid phase microextraction and sensorial evaluation of chardonnay base wines. Journal of The Brazilian Chemical Society, 23, 678-687.
72. Welke, J. E., & Zini, C. A. (2011). Comprehensive two-dimensional gas chromatography for analysis of volatile compounds in foods and beverages. Journal of The Brazilian Chemical Society, 22, 609-622.
73. Zhang, J., Li, L., Gao, N., Wang, D., Gao, Q., & Jiang, S. (2010). Feature extraction and selection from volatile compounds for analytical classification of Chinese red wines from different varieties. Analytica Chimica Acta, 662, 137-142.
74. Zhao, Y. P., Wang, L., Li, J. M., Pei, G. R., & Liu, Q. S. (2011). Comparison of volatile compounds in two brandies using HS-SPME coupled with GC-O, GC-MS and sensory evaluation. South African Journal for Enology and Viticulture, 32, 9-20.
75. Zhao, Y., Xu, Y., Li, J., Fan, W., & Jiang, W. (2009). Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry. Journal of Food Science, 74, C90-C99.