Characterization and authentication of Spanish PDO wine vinegars using multidimensional fluorescence and chemometrics

Rocío Ríos-Reina; Saioa  Elcoroaristizabal; Juan A. Ocaña-Gonzalez; Diego L. García-González; Jose Manuel Amigo Rubio; Raquel M. Callejón

doi:10.1016/j.foodchem.2017.02.118

Characterization and authentication of Spanish PDO wine vinegars using multidimensional fluorescence and chemometrics

Rocío Ríos-Reina, Saioa Elcoroaristizabal, Juan A. Ocaña-Gonzalez, Diego L. García-González, Jose Manuel Amigo Rubio, Raquel M. Callejón^*

^*Corresponding author for this work

Food Analytics and Biotechnology

38 Citations (Scopus)

Abstract

This work assesses the potential of multidimensional fluorescence spectroscopy combined with chemometrics for characterization and authentication of Spanish Protected Designation of Origin (PDO) wine vinegars. Seventy-nine vinegars of different categories (aged and sweet) belonging to the Spanish PDOs “Vinagre de Jerez”, “Vinagre de Montilla-Moriles” and “Vinagre de Condado de Huelva”, were analyzed by excitation-emission fluorescence spectroscopy. A visual assessment of fluorescence landscapes pointed out different trends with vinegar categories. PARAllel FACtor analysis (PARAFAC) extracted the potential fluorophores and their values in the PDO vinegars. This information, coupled with different classification methods (Partial Least Square Discrimination Analysis “PLS-DA” and Support Vectors Machines “SVM”), was able to discriminate the wine vinegar category within each PDO, for which SVM models obtained better results (>92% of classification). In each category, SVM also allows the differentiation between PDOs. The proposed methodology could be used as an analysis method for the authentication of Spanish PDO wine vinegars.

Original language	English
Journal	Food Chemistry
Volume	230
Pages (from-to)	108-116
Number of pages	9
ISSN	0308-8146
DOIs	https://doi.org/10.1016/j.foodchem.2017.02.118
Publication status	Published - 2017

Keywords

Multidimensional fluorescence
PARAFAC
PLS-DA
Wine vinegars

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10.1016/j.foodchem.2017.02.118

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@article{c97f00c1a52c4764897ebc01a5449233,

title = "Characterization and authentication of Spanish PDO wine vinegars using multidimensional fluorescence and chemometrics",

abstract = "This work assesses the potential of multidimensional fluorescence spectroscopy combined with chemometrics for characterization and authentication of Spanish Protected Designation of Origin (PDO) wine vinegars. Seventy-nine vinegars of different categories (aged and sweet) belonging to the Spanish PDOs “Vinagre de Jerez”, “Vinagre de Montilla-Moriles” and “Vinagre de Condado de Huelva”, were analyzed by excitation-emission fluorescence spectroscopy. A visual assessment of fluorescence landscapes pointed out different trends with vinegar categories. PARAllel FACtor analysis (PARAFAC) extracted the potential fluorophores and their values in the PDO vinegars. This information, coupled with different classification methods (Partial Least Square Discrimination Analysis “PLS-DA” and Support Vectors Machines “SVM”), was able to discriminate the wine vinegar category within each PDO, for which SVM models obtained better results (>92% of classification). In each category, SVM also allows the differentiation between PDOs. The proposed methodology could be used as an analysis method for the authentication of Spanish PDO wine vinegars.",

keywords = "Multidimensional fluorescence, PARAFAC, PLS-DA, Wine vinegars",

author = "Roc{\'i}o R{\'i}os-Reina and Saioa Elcoroaristizabal and Oca{\~n}a-Gonzalez, {Juan A.} and Garc{\'i}a-Gonz{\'a}lez, {Diego L.} and {Amigo Rubio}, {Jose Manuel} and Callej{\'o}n, {Raquel M.}",

year = "2017",

doi = "10.1016/j.foodchem.2017.02.118",

language = "English",

volume = "230",

pages = "108--116",

journal = "Food Chemistry",

issn = "0308-8146",

publisher = "Elsevier",

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TY - JOUR

T1 - Characterization and authentication of Spanish PDO wine vinegars using multidimensional fluorescence and chemometrics

AU - Ríos-Reina, Rocío

AU - Elcoroaristizabal, Saioa

AU - Ocaña-Gonzalez, Juan A.

AU - García-González, Diego L.

AU - Amigo Rubio, Jose Manuel

AU - Callejón, Raquel M.

PY - 2017

Y1 - 2017

N2 - This work assesses the potential of multidimensional fluorescence spectroscopy combined with chemometrics for characterization and authentication of Spanish Protected Designation of Origin (PDO) wine vinegars. Seventy-nine vinegars of different categories (aged and sweet) belonging to the Spanish PDOs “Vinagre de Jerez”, “Vinagre de Montilla-Moriles” and “Vinagre de Condado de Huelva”, were analyzed by excitation-emission fluorescence spectroscopy. A visual assessment of fluorescence landscapes pointed out different trends with vinegar categories. PARAllel FACtor analysis (PARAFAC) extracted the potential fluorophores and their values in the PDO vinegars. This information, coupled with different classification methods (Partial Least Square Discrimination Analysis “PLS-DA” and Support Vectors Machines “SVM”), was able to discriminate the wine vinegar category within each PDO, for which SVM models obtained better results (>92% of classification). In each category, SVM also allows the differentiation between PDOs. The proposed methodology could be used as an analysis method for the authentication of Spanish PDO wine vinegars.

AB - This work assesses the potential of multidimensional fluorescence spectroscopy combined with chemometrics for characterization and authentication of Spanish Protected Designation of Origin (PDO) wine vinegars. Seventy-nine vinegars of different categories (aged and sweet) belonging to the Spanish PDOs “Vinagre de Jerez”, “Vinagre de Montilla-Moriles” and “Vinagre de Condado de Huelva”, were analyzed by excitation-emission fluorescence spectroscopy. A visual assessment of fluorescence landscapes pointed out different trends with vinegar categories. PARAllel FACtor analysis (PARAFAC) extracted the potential fluorophores and their values in the PDO vinegars. This information, coupled with different classification methods (Partial Least Square Discrimination Analysis “PLS-DA” and Support Vectors Machines “SVM”), was able to discriminate the wine vinegar category within each PDO, for which SVM models obtained better results (>92% of classification). In each category, SVM also allows the differentiation between PDOs. The proposed methodology could be used as an analysis method for the authentication of Spanish PDO wine vinegars.

KW - Multidimensional fluorescence

KW - PARAFAC

KW - PLS-DA

KW - Wine vinegars

U2 - 10.1016/j.foodchem.2017.02.118

DO - 10.1016/j.foodchem.2017.02.118

M3 - Journal article

C2 - 28407890

AN - SCOPUS:85016240394

SN - 0308-8146

VL - 230

SP - 108

EP - 116

JO - Food Chemistry

JF - Food Chemistry

ER -

Characterization and authentication of Spanish PDO wine vinegars using multidimensional fluorescence and chemometrics

Abstract

Keywords

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