Anthocyanins as markers for the classification of Argentinean wines according to botanical and geographical origin. Chemometric modeling of liquid chromatography-mass spectrometry data

Food Chemistry

Volumn 175, Issue , 2015, Pages 174-180

  Pisano, Pablo L ^a   Silva, María F ^b   Olivieri, Alejandro C ^a  

^a Universidad Nacional de Rosario   (Argentina)

^b Inst de Biologia Agricola de Mendoza Consejo Nacional de Investigaciones Cientificas y Tecnicas   (Argentina)

Author keywords

Discriminant partial least squares; Liquid chromatography mass spectrometry; Multivariate curve resolution; Wine discrimination

Indexed keywords

ANTHOCYANINS; COLUMN CHROMATOGRAPHY; DATA HANDLING; DIRECT INJECTION; LEAST SQUARES APPROXIMATIONS; LIQUIDS; MASS SPECTROMETRY; WINE;

ALTERNATING LEAST SQUARES; CHEMOMETRIC MODELING; CHEMOMETRIC RESOLUTION; DISCRIMINANT PARTIAL LEAST SQUARES; GEOGRAPHICAL ORIGINS; LIQUID CHROMATOGRAPHY - MASS SPECTROMETRIES; MULTIVARIATE CURVE RESOLUTION; PARTIAL LEAST SQUARE (PLS);

HIGH PRESSURE LIQUID CHROMATOGRAPHY;

ANTHOCYANIN; BIOLOGICAL MARKER;

ARGENTINA; ARTICLE; CHEMOMETRICS; GEOGRAPHIC ORIGIN; GRAPE; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; RED WINE; VARIETAS; ANALYSIS; CLASSIFICATION; DISCRIMINANT ANALYSIS; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; PROCEDURES; REGRESSION ANALYSIS; WINE;

ANTHOCYANINS; ARGENTINA; BIOLOGICAL MARKERS; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; DISCRIMINANT ANALYSIS; LEAST-SQUARES ANALYSIS; MASS SPECTROMETRY; WINE;

EID: 84915827538     PISSN: 03088146     EISSN: 18737072     Source Type: Journal    
DOI: 10.1016/j.foodchem.2014.11.124     Document Type: Article

References (32)

1. B. Abad-García, L.A. Berrueta, S. Garmón-Lobato, B. Gallo, and F. Vicente A general analytical strategy for the characterization of phenolic compounds in fruit juices by high-performance liquid chromatography with diode array detection coupled to electrospray ionization and triple quadrupole mass spectrometry Journal of Chromatography A 1216 28 2009 5398 5415
2. P. Alberts, M.A. Stander, and A. de Villiers Advanced ultra high pressure liquid chromatography-tandem mass spectrometric methods for the screening of red wine anthocyanins and derived pigments Journal of Chromatography A 1235 2012 92 102
3. R.F. Alves, A.M.D. Nascimento, and J.M.F. Nogueira Characterization of the aroma profile of Madeira wine by sorptive extraction techniques Analytica Chimica Acta 546 1 2005 11 21
4. J.A. Arancibia, C.E. Boschetti, A.C. Olivieri, and G.M. Escandar Screening of oil samples on the basis of excitation-emission room-temperature phosphorescence data and multiway chemometric techniques. Introducing the second-order advantage in a classification study Analytical Chemistry 80 8 2008 2789 2798
5. D. Ballabio, T. Skov, R. Leardi, and R. Bro Classification of GC-MS measurements of wines by combining data dimension reduction and variable selection techniques Journal of Chemometrics 22 8 2008 457 463
6. J. Bertoncelj, T. Polak, U. Kropf, M. Korošec, and T. Golob LC-DAD-ESI/MS analysis of flavonoids and abscisic acid with chemometric approach for the classification of Slovenian honey Food Chemistry 127 1 2011 296 302
7. D. Blanco-Vega, S. Gómez-Alonso, and I. Hermosín-Gutiérrez Identification, content and distribution of anthocyanins and low molecular weight anthocyanin-derived pigments in Spanish commercial red wines Food Chemistry 158 2014 449 458
8. A. Cuadros-Inostroza, P. Giavalisco, J. Hummel, A. Eckardt, L. Willmitzer, and H. Peña-Cortés Discrimination of wine attributes by metabolome analysis Analytical Chemistry 82 9 2010 3573 3580
9. A. de Villiers, G. Vanhoenacker, P. Majek, and P. Sandra Determination of anthocyanins in wine by direct injection liquid chromatography-diode array detection-mass spectrometry and classification of wines using discriminant analysis Journal of Chromatography A 1054 1-2 2004 195 204
10. G.M. Escandar, A.C. Olivieri, N.M. Faber, H.C. Goicoechea, A. Muñoz de la Peña, and R.J. Poppi Second- and third-order multivariate calibration: Data, algorithms and applications TrAC Trends in Analytical Chemistry 26 7 2007 752 765
11. M. Fanzone, Á. Peña-Neira, V. Jofré, M. Assof, and F. Zamora Phenolic characterization of Malbec wines from Mendoza province (Argentina) Journal of Agricultural and Food Chemistry 58 2010 2388 2397
12. Flamini, R., & Traldi, P. (2010). Grape and wine polyphenols. In: Mass spectrometry in grape and wine chemistry (pp. 163-225). John Wiley & Sons Inc.
13. K. Fraige, E.R. Pereira-Filho, and E. Carrilho Fingerprinting of anthocyanins from grapes produced in Brazil using HPLC-DAD-MS and exploratory analysis by principal component analysis Food Chemistry 145 2014 395 403
14. R. Garrido-Delgado, S. López-Vidal, L. Arce, and M. Valcárcel Differentiation and identification of white wine varieties by using electropherogram fingerprints obtained with CE Journal of Separation Science 32 21 2009 3809 3816
15. H.-W. Gu, H.-L. Wu, X.-L. Yin, Y. Li, Y.-J. Liu, and H. Xia Multi-targeted interference-free determination of ten β-blockers in human urine and plasma samples by alternating trilinear decomposition algorithm-assisted liquid chromatography-mass spectrometry in full scan mode: Comparison with multiple reaction monitoring Analytica Chimica Acta 848 2014 10 24
16. L. Jaitz, K. Siegl, R. Eder, G. Rak, L. Abranko, and G. Koellensperger LC-MS/MS analysis of phenols for classification of red wine according to geographic origin, grape variety and vintage Food Chemistry 122 1 2010 366 372
17. J. Jaumot, R. Gargallo, A. de Juan, and R. Tauler A graphical user-friendly interface for MCR-ALS: A new tool for multivariate curve resolution in MATLAB Chemometrics and Intelligent Laboratory Systems 76 1 2005 101 110
18. I.T. Jolliffe Principal component analysis 2nd ed. 2002 Springer New York
19. D.M. Kulakowski, S.-B. Wu, M.J. Balick, and E.J. Kennelly Merging bioactivity with liquid chromatography-mass spectrometry-based chemometrics to identify minor immunomodulatory compounds from a Micronesian adaptogen, Phaleria nisidai Journal of Chromatography A 1364 2014 74 82
20. T. Mehmood, K.H. Liland, L. Snipen, and S. Sæbø A review of variable selection methods in Partial Least Squares Regression Chemometrics and Intelligent Laboratory Systems 118 2012 62 69
21. S.H. Nile, and S.W. Park Edible berries: Bioactive components and their effect on human health Nutrition 30 2 2014 134 144
22. A.C. Olivieri, and G.M. Escandar Practical three-way calibration 2014 Elsevier Amsterdam
23. A.C. Olivieri, H.-L. Wu, and R.-Q. Yu MVC2: A MATLAB graphical interface toolbox for second-order multivariate calibration Chemometrics and Intelligent Laboratory Systems 96 2 2009 246 251
24. J. Pazourek, D. Gajdošová, M. Spanilá, M. Farková, K. Novotná, and J. Havel Analysis of polyphenols in wines: Correlation between total polyphenolic content and antioxidant potential from photometric measurements: Prediction of cultivars and vintage from capillary zone electrophoresis fingerprints using artificial neural network Journal of Chromatography A 1081 1 2005 48 54
25. P.L. Pisano, M.F. Silva, and A.C. Olivieri Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution Chemometrics and Intelligent Laboratory Systems 132 2014 1 7
26. Ribéreau-Gayon, P., Glories, Y., Maujean, A., & Dubourdieu, D. (2006). Phenolic compounds. In: Handbook of Enology (pp. 141-203). John Wiley & Sons Ltd.
27. A. Taamalli, D. Arráez Román, M. Zarrouk, A. Segura-Carretero, and A. Fernández-Gutiérrez Classification of 'Chemlali' accessions according to the geographical area using chemometric methods of phenolic profiles analysed by HPLC-ESI-TOF-MS Food Chemistry 132 1 2012 561 566
28. R. Tauler Multivariate curve resolution applied to second order data Chemometrics and Intelligent Laboratory Systems 30 1 1995 133 146
29. A. Tredoux, A. de Villiers, P. Májek, F.d.r. Lynen, A. Crouch, and P. Sandra Stir bar sorptive extraction combined with GC-MS analysis and chemometric methods for the classification of South African wines according to the volatile composition Journal of Agricultural and Food Chemistry 56 12 2008 4286 4296
30. L. Vaclavik, O. Lacina, J. Hajslova, and J. Zweigenbaum The use of high performance liquid chromatography-quadrupole time-of-flight mass spectrometry coupled to advanced data mining and chemometric tools for discrimination and classification of red wines according to their variety Analytica Chimica Acta 685 1 2011 45 51
31. S. Wold, P. Geladi, K. Esbensen, and J. Öhman Multi-way principal components-and PLS-analysis Journal of Chemometrics 1 1 1987 41 56
32. B. Xia, Y. Zhou, H.S. Tan, L.S. Ding, and H.X. Xu Advanced ultra-performance liquid chromatography-photodiode array-quadrupole time-of-flight mass spectrometric methods for simultaneous screening and quantification of triterpenoids in Poria cocos Food Chemistry 152 2014 237 244