Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy

In recent years, three Spanish wine vinegars have obtained the indication of Protected Denomination of Origin (PDOs) due to their unique characteristics and traditional method of production: “Vinagre de Jerez”, “Vinagre de Condado de Huelva” and “Vinagre de Montilla-Moriles”. These vinegars are expe...

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Autores: Ríos-Reina, Rocío, Azcarate, S. M., Camiña, J., Callejón Fernández, Raquel María, Amigo, J. M.
Tipo de documento: artigo
Estado:Versión aceptada para publicación
Data de publicação:2019
País:España
Recursos:Universidad de Sevilla (US)
Repositório:idUS. Depósito de Investigación de la Universidad de Sevilla
OAI Identifier:oai:dnet:idus________::caf457404f04d0ad6433ac1d6522d303
Acesso em linha:https://hdl.handle.net/11441/185659
https://doi.org/10.1016/j.chemolab.2019.06.001
Access Level:Acceso aberto
Palavra-chave:Wine vinegar
Protected designation of origin
Hierarchical model
SIMCA
PLS-DA
Bootstrap
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spelling Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopyRíos-Reina, RocíoAzcarate, S. M.Camiña, J.Callejón Fernández, Raquel MaríaAmigo, J. M.Wine vinegarProtected designation of originHierarchical modelSIMCAPLS-DABootstrapIn recent years, three Spanish wine vinegars have obtained the indication of Protected Denomination of Origin (PDOs) due to their unique characteristics and traditional method of production: “Vinagre de Jerez”, “Vinagre de Condado de Huelva” and “Vinagre de Montilla-Moriles”. These vinegars are expensive due to their high quality, the long aging time and the high cost of production, reason why the adulteration and unfair competition in the vinegar industry are frequent practices. To avoid these frauds, several analytical techniques have been already studied for the characterization and authentication of these high quality vinegars. Nevertheless, ultraviolet–visible (UV–vis) spectroscopy, especially attractive for its simplicity and low cost, has not been previously used to assess PDO or other qualities as type of production or aging, in wine vinegars. For this reason, the potential of UV–vis spectroscopy was investigated for the first time as a rapid and inexpensive methodology for developing classification models to discriminate wine vinegars according to the production method, the PDO and the aging category. Spectra from 70 wine vinegars -including different categories within the 3 PDOs and also vinegars without PDO as known as rapid vinegars-have been analyzed and compared in the selected region of 280–600 nm. Principal components analysis (PCA) was used as exploratory method, while soft independent modelling-class (SIMCA) and partial least squares-discriminant analysis (PLS-DA) were employed for the development of a hierarchical classification model. Differences between categories and PDOs, as well as between PDO and Non-PDO wine vinegars, were observed according to the spectral regions around 300 nm and the visible regions around 500 nm. Furthermore, bootstrap resampling method was employed to generate distributions of classification results and to obtain confidence intervals in the classification. The hierarchical classification results open up the possibility of developing a tool that provides an easy and fast differentiation for the authentication of wine vinegars from different categories and denomination of origins.ElsevierNutrición y Bromatología, Toxicología y Medicina LegalJunta de Andalucía2019info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfapplication/pdfhttps://hdl.handle.net/11441/185659https://doi.org/10.1016/j.chemolab.2019.06.001reponame:idUS. Depósito de Investigación de la Universidad de Sevillainstname:Universidad de Sevilla (US)InglésChemometrics and Intelligent Laboratory Systems, 191, 42-53. P12-AGR-1601https://doi.org/10.1016/j.chemolab.2019.06.001info:eu-repo/semantics/openAccessoai:dnet:idus________::caf457404f04d0ad6433ac1d6522d3032026-06-17T12:51:07Z
dc.title.none.fl_str_mv Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy
title Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy
spellingShingle Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy
Ríos-Reina, Rocío
Wine vinegar
Protected designation of origin
Hierarchical model
SIMCA
PLS-DA
Bootstrap
title_short Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy
title_full Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy
title_fullStr Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy
title_full_unstemmed Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy
title_sort Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV–vis spectroscopy
dc.creator.none.fl_str_mv Ríos-Reina, Rocío
Azcarate, S. M.
Camiña, J.
Callejón Fernández, Raquel María
Amigo, J. M.
author Ríos-Reina, Rocío
author_facet Ríos-Reina, Rocío
Azcarate, S. M.
Camiña, J.
Callejón Fernández, Raquel María
Amigo, J. M.
author_role author
author2 Azcarate, S. M.
Camiña, J.
Callejón Fernández, Raquel María
Amigo, J. M.
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Nutrición y Bromatología, Toxicología y Medicina Legal
Junta de Andalucía
dc.subject.none.fl_str_mv Wine vinegar
Protected designation of origin
Hierarchical model
SIMCA
PLS-DA
Bootstrap
topic Wine vinegar
Protected designation of origin
Hierarchical model
SIMCA
PLS-DA
Bootstrap
description In recent years, three Spanish wine vinegars have obtained the indication of Protected Denomination of Origin (PDOs) due to their unique characteristics and traditional method of production: “Vinagre de Jerez”, “Vinagre de Condado de Huelva” and “Vinagre de Montilla-Moriles”. These vinegars are expensive due to their high quality, the long aging time and the high cost of production, reason why the adulteration and unfair competition in the vinegar industry are frequent practices. To avoid these frauds, several analytical techniques have been already studied for the characterization and authentication of these high quality vinegars. Nevertheless, ultraviolet–visible (UV–vis) spectroscopy, especially attractive for its simplicity and low cost, has not been previously used to assess PDO or other qualities as type of production or aging, in wine vinegars. For this reason, the potential of UV–vis spectroscopy was investigated for the first time as a rapid and inexpensive methodology for developing classification models to discriminate wine vinegars according to the production method, the PDO and the aging category. Spectra from 70 wine vinegars -including different categories within the 3 PDOs and also vinegars without PDO as known as rapid vinegars-have been analyzed and compared in the selected region of 280–600 nm. Principal components analysis (PCA) was used as exploratory method, while soft independent modelling-class (SIMCA) and partial least squares-discriminant analysis (PLS-DA) were employed for the development of a hierarchical classification model. Differences between categories and PDOs, as well as between PDO and Non-PDO wine vinegars, were observed according to the spectral regions around 300 nm and the visible regions around 500 nm. Furthermore, bootstrap resampling method was employed to generate distributions of classification results and to obtain confidence intervals in the classification. The hierarchical classification results open up the possibility of developing a tool that provides an easy and fast differentiation for the authentication of wine vinegars from different categories and denomination of origins.
publishDate 2019
dc.date.none.fl_str_mv 2019
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/11441/185659
https://doi.org/10.1016/j.chemolab.2019.06.001
url https://hdl.handle.net/11441/185659
https://doi.org/10.1016/j.chemolab.2019.06.001
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Chemometrics and Intelligent Laboratory Systems, 191, 42-53.
P12-AGR-1601
https://doi.org/10.1016/j.chemolab.2019.06.001
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:idUS. Depósito de Investigación de la Universidad de Sevilla
instname:Universidad de Sevilla (US)
instname_str Universidad de Sevilla (US)
reponame_str idUS. Depósito de Investigación de la Universidad de Sevilla
collection idUS. Depósito de Investigación de la Universidad de Sevilla
repository.name.fl_str_mv
repository.mail.fl_str_mv
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