Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes

Ultrasounds are considered an emerging technology in the wine industry. Concretely, in 2019, the International Organization of Vine and Wine (OIV) officially approved their use for the treatment of crushed grapes to increase the level of phenolic compound extraction. The main objective of this study...

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Autores: Martínez-Moreno, Alejandro, Pérez-Porras, Paula, Bautista-Ortín, Ana Belén, Gómez-Plaza, Encarna, Vallejo, Fernando
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/394502
Acesso em linha:http://hdl.handle.net/10261/394502
https://api.elsevier.com/content/abstract/scopus_id/85195868153
Access Level:acceso abierto
Palavra-chave:LC-MS
bioactive compounds
sonication
untargeted metabolomics
wines
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spelling Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated GrapesMartínez-Moreno, AlejandroPérez-Porras, PaulaBautista-Ortín, Ana BelénGómez-Plaza, EncarnaVallejo, FernandoLC-MSbioactive compoundssonicationuntargeted metabolomicswinesUltrasounds are considered an emerging technology in the wine industry. Concretely, in 2019, the International Organization of Vine and Wine (OIV) officially approved their use for the treatment of crushed grapes to increase the level of phenolic compound extraction. The main objective of this study was to validate an untargeted metabolomics approach as an analytical tool for identifying novel markers associated with sonication. To do so, the influence of a sonication treatment on the metabolic profile was studied in four typically commercial varietal wines, i.e., two red wines from 'Syrah' and 'Cabernet Sauvignon' grapes and two white wines from 'Macabeo' and 'Airén' grapes. A robust classification and prediction model was created employing supervised techniques such as partial least-squares discriminant analysis (PLS-DA). The findings indicated that the grapes subjected to high-power ultrasound conditions experienced cell wall disruption due to the cavitation phenomenon, resulting in significant changes in various phenolic compounds (including hydroxycinnamic acids and flavonoids) present in these wines compared to wines from non-sonicated grapes. Additionally, new metabolites were tentatively identified through untargeted metabolomics techniques. This study represents the successful application of the untargeted metabolomics approach employing a UHPLC-QTOF system to discern how grape sonication affects bioactive secondary metabolites in wines.This research was funded by the Ministerio de Ciencia, Innovación y Universidades of the Spanish Government and Feder Funds, grant number RTI2018-093869-B-C21Peer reviewedMultidisciplinary Digital Publishing InstituteMinisterio de Ciencia, Innovación y Universidades (España)Agencia Estatal de Investigación (España)European CommissionConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252024info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/394502https://api.elsevier.com/content/abstract/scopus_id/85195868153reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)#PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-093869-B-C21Foods (Basel, Switzerland)https://doi.org/10.3390/foods13111761Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3945022026-05-22T06:33:51Z
dc.title.none.fl_str_mv Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes
title Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes
spellingShingle Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes
Martínez-Moreno, Alejandro
LC-MS
bioactive compounds
sonication
untargeted metabolomics
wines
title_short Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes
title_full Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes
title_fullStr Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes
title_full_unstemmed Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes
title_sort Untargeted Metabolomics Analysis Based on LC-QTOF-MS to Investigate the Phenolic Composition of Red and White Wines Elaborated from Sonicated Grapes
dc.creator.none.fl_str_mv Martínez-Moreno, Alejandro
Pérez-Porras, Paula
Bautista-Ortín, Ana Belén
Gómez-Plaza, Encarna
Vallejo, Fernando
author Martínez-Moreno, Alejandro
author_facet Martínez-Moreno, Alejandro
Pérez-Porras, Paula
Bautista-Ortín, Ana Belén
Gómez-Plaza, Encarna
Vallejo, Fernando
author_role author
author2 Pérez-Porras, Paula
Bautista-Ortín, Ana Belén
Gómez-Plaza, Encarna
Vallejo, Fernando
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia, Innovación y Universidades (España)
Agencia Estatal de Investigación (España)
European Commission
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv LC-MS
bioactive compounds
sonication
untargeted metabolomics
wines
topic LC-MS
bioactive compounds
sonication
untargeted metabolomics
wines
description Ultrasounds are considered an emerging technology in the wine industry. Concretely, in 2019, the International Organization of Vine and Wine (OIV) officially approved their use for the treatment of crushed grapes to increase the level of phenolic compound extraction. The main objective of this study was to validate an untargeted metabolomics approach as an analytical tool for identifying novel markers associated with sonication. To do so, the influence of a sonication treatment on the metabolic profile was studied in four typically commercial varietal wines, i.e., two red wines from 'Syrah' and 'Cabernet Sauvignon' grapes and two white wines from 'Macabeo' and 'Airén' grapes. A robust classification and prediction model was created employing supervised techniques such as partial least-squares discriminant analysis (PLS-DA). The findings indicated that the grapes subjected to high-power ultrasound conditions experienced cell wall disruption due to the cavitation phenomenon, resulting in significant changes in various phenolic compounds (including hydroxycinnamic acids and flavonoids) present in these wines compared to wines from non-sonicated grapes. Additionally, new metabolites were tentatively identified through untargeted metabolomics techniques. This study represents the successful application of the untargeted metabolomics approach employing a UHPLC-QTOF system to discern how grape sonication affects bioactive secondary metabolites in wines.
publishDate 2024
dc.date.none.fl_str_mv 2024
2025
2025
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/394502
https://api.elsevier.com/content/abstract/scopus_id/85195868153
url http://hdl.handle.net/10261/394502
https://api.elsevier.com/content/abstract/scopus_id/85195868153
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-093869-B-C21
Foods (Basel, Switzerland)
https://doi.org/10.3390/foods13111761
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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