Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics

Autores
Montemerlo, Antonella Evelin; Azcarate, Silvana Mariela; Camiña, José Manuel; Messina, Germán Alejandro
Año de publicación
2024
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This article explores the application of multivariate curve resolution with alternating least squares for the simultaneous determination of gallic acid and caffeic acid on the surface of a glassy carbon electrode without additional modification. Gallic acid and caffeic acid are primary polyphenols in red wine, and their electrochemical signals overlap significantly, making simultaneous quantification challenging without additional experiments like electrode modification or alternative analytical techniques beyond differential pulse voltammetry. The study successfully quantified these compounds in complex mixtures by generating second-order data from differential pulse voltammetry experiments conducted at various potential steps and subsequently applying multivariate curve resolution with alternating least squares. The use of constraints during optimization prevented rotational ambiguities common in this modeling, leading to unique results in validation samples. The limits of detection found for gallic acid (LOD 1.6) and caffeic acid (LOD 7.6) are in excellent agreement with the expected concentrations of these compounds in red wines. Advantages such as simplicity, low cost, and speed, as no electrode modification is required, coupled with excellent results obtained for real samples, represent a promising alternative for polyphenol analysis in the wine industry.
Fil: Montemerlo, Antonella Evelin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Química de San Luis. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Química de San Luis; Argentina
Fil: Azcarate, Silvana Mariela. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Ciencias de la Tierra y Ambientales de La Pampa. Universidad Nacional de La Pampa. Facultad de Ciencias Exactas y Naturales. Instituto de Ciencias de la Tierra y Ambientales de La Pampa; Argentina
Fil: Camiña, José Manuel. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnologico Conicet - Patagonia Confluencia. Instituto de Ciencias de la Tierra y Ambientales de la Pampa. Grupo Vinculado Fundacion Centro de Salud E Investigaciones Medicas | Universidad Nacional de la Pampa. Facultad de Ciencias Exactas y Naturales. Instituto de Ciencias de la Tierra y Ambientales de la Pampa. Grupo Vinculado Fundacion Centro de Salud E Investigaciones Medicas.; Argentina
Fil: Messina, Germán Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Química de San Luis. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Química de San Luis; Argentina
Materia
Gallic and Caffeic Acid
Red Wine
Differential Pulse Voltammetry
Chemometrics
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/261530
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/261530
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by ChemometricsMontemerlo, Antonella EvelinAzcarate, Silvana MarielaCamiña, José ManuelMessina, Germán AlejandroGallic and Caffeic AcidRed WineDifferential Pulse VoltammetryChemometricshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1This article explores the application of multivariate curve resolution with alternating least squares for the simultaneous determination of gallic acid and caffeic acid on the surface of a glassy carbon electrode without additional modification. Gallic acid and caffeic acid are primary polyphenols in red wine, and their electrochemical signals overlap significantly, making simultaneous quantification challenging without additional experiments like electrode modification or alternative analytical techniques beyond differential pulse voltammetry. The study successfully quantified these compounds in complex mixtures by generating second-order data from differential pulse voltammetry experiments conducted at various potential steps and subsequently applying multivariate curve resolution with alternating least squares. The use of constraints during optimization prevented rotational ambiguities common in this modeling, leading to unique results in validation samples. The limits of detection found for gallic acid (LOD 1.6) and caffeic acid (LOD 7.6) are in excellent agreement with the expected concentrations of these compounds in red wines. Advantages such as simplicity, low cost, and speed, as no electrode modification is required, coupled with excellent results obtained for real samples, represent a promising alternative for polyphenol analysis in the wine industry.Fil: Montemerlo, Antonella Evelin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Química de San Luis. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Química de San Luis; ArgentinaFil: Azcarate, Silvana Mariela. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Ciencias de la Tierra y Ambientales de La Pampa. Universidad Nacional de La Pampa. Facultad de Ciencias Exactas y Naturales. Instituto de Ciencias de la Tierra y Ambientales de La Pampa; ArgentinaFil: Camiña, José Manuel. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnologico Conicet - Patagonia Confluencia. Instituto de Ciencias de la Tierra y Ambientales de la Pampa. Grupo Vinculado Fundacion Centro de Salud E Investigaciones Medicas | Universidad Nacional de la Pampa. Facultad de Ciencias Exactas y Naturales. Instituto de Ciencias de la Tierra y Ambientales de la Pampa. Grupo Vinculado Fundacion Centro de Salud E Investigaciones Medicas.; ArgentinaFil: Messina, Germán Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Química de San Luis. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Química de San Luis; ArgentinaElsevier2024-06-30info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/261530Montemerlo, Antonella Evelin; Azcarate, Silvana Mariela; Camiña, José Manuel; Messina, Germán Alejandro; Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics; Elsevier; SSRN; 30-6-2024; 1-301556-5068CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://papers.ssrn.com/sol3/papers.cfm?abstract_id=4712211info:eu-repo/semantics/altIdentifier/doi/10.2139/ssrn.4712211info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:14:19Zoai:ri.conicet.gov.ar:11336/261530instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 12:14:20.164CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics
title Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics
spellingShingle Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics
Montemerlo, Antonella Evelin
Gallic and Caffeic Acid
Red Wine
Differential Pulse Voltammetry
Chemometrics
title_short Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics
title_full Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics
title_fullStr Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics
title_full_unstemmed Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics
title_sort Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics
dc.creator.none.fl_str_mv Montemerlo, Antonella Evelin
Azcarate, Silvana Mariela
Camiña, José Manuel
Messina, Germán Alejandro
author Montemerlo, Antonella Evelin
author_facet Montemerlo, Antonella Evelin
Azcarate, Silvana Mariela
Camiña, José Manuel
Messina, Germán Alejandro
author_role author
author2 Azcarate, Silvana Mariela
Camiña, José Manuel
Messina, Germán Alejandro
author2_role author
author
author
dc.subject.none.fl_str_mv Gallic and Caffeic Acid
Red Wine
Differential Pulse Voltammetry
Chemometrics
topic Gallic and Caffeic Acid
Red Wine
Differential Pulse Voltammetry
Chemometrics
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv This article explores the application of multivariate curve resolution with alternating least squares for the simultaneous determination of gallic acid and caffeic acid on the surface of a glassy carbon electrode without additional modification. Gallic acid and caffeic acid are primary polyphenols in red wine, and their electrochemical signals overlap significantly, making simultaneous quantification challenging without additional experiments like electrode modification or alternative analytical techniques beyond differential pulse voltammetry. The study successfully quantified these compounds in complex mixtures by generating second-order data from differential pulse voltammetry experiments conducted at various potential steps and subsequently applying multivariate curve resolution with alternating least squares. The use of constraints during optimization prevented rotational ambiguities common in this modeling, leading to unique results in validation samples. The limits of detection found for gallic acid (LOD 1.6) and caffeic acid (LOD 7.6) are in excellent agreement with the expected concentrations of these compounds in red wines. Advantages such as simplicity, low cost, and speed, as no electrode modification is required, coupled with excellent results obtained for real samples, represent a promising alternative for polyphenol analysis in the wine industry.
Fil: Montemerlo, Antonella Evelin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Química de San Luis. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Química de San Luis; Argentina
Fil: Azcarate, Silvana Mariela. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Ciencias de la Tierra y Ambientales de La Pampa. Universidad Nacional de La Pampa. Facultad de Ciencias Exactas y Naturales. Instituto de Ciencias de la Tierra y Ambientales de La Pampa; Argentina
Fil: Camiña, José Manuel. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnologico Conicet - Patagonia Confluencia. Instituto de Ciencias de la Tierra y Ambientales de la Pampa. Grupo Vinculado Fundacion Centro de Salud E Investigaciones Medicas | Universidad Nacional de la Pampa. Facultad de Ciencias Exactas y Naturales. Instituto de Ciencias de la Tierra y Ambientales de la Pampa. Grupo Vinculado Fundacion Centro de Salud E Investigaciones Medicas.; Argentina
Fil: Messina, Germán Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Química de San Luis. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Química de San Luis; Argentina
description This article explores the application of multivariate curve resolution with alternating least squares for the simultaneous determination of gallic acid and caffeic acid on the surface of a glassy carbon electrode without additional modification. Gallic acid and caffeic acid are primary polyphenols in red wine, and their electrochemical signals overlap significantly, making simultaneous quantification challenging without additional experiments like electrode modification or alternative analytical techniques beyond differential pulse voltammetry. The study successfully quantified these compounds in complex mixtures by generating second-order data from differential pulse voltammetry experiments conducted at various potential steps and subsequently applying multivariate curve resolution with alternating least squares. The use of constraints during optimization prevented rotational ambiguities common in this modeling, leading to unique results in validation samples. The limits of detection found for gallic acid (LOD 1.6) and caffeic acid (LOD 7.6) are in excellent agreement with the expected concentrations of these compounds in red wines. Advantages such as simplicity, low cost, and speed, as no electrode modification is required, coupled with excellent results obtained for real samples, represent a promising alternative for polyphenol analysis in the wine industry.
publishDate 2024
dc.date.none.fl_str_mv 2024-06-30
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/261530
Montemerlo, Antonella Evelin; Azcarate, Silvana Mariela; Camiña, José Manuel; Messina, Germán Alejandro; Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics; Elsevier; SSRN; 30-6-2024; 1-30
1556-5068
CONICET Digital
CONICET
url http://hdl.handle.net/11336/261530
identifier_str_mv Montemerlo, Antonella Evelin; Azcarate, Silvana Mariela; Camiña, José Manuel; Messina, Germán Alejandro; Simultaneous Quantification of Gallic and Caffeic Acid in Red Wine Using Differential Pulse Voltammetry Assisted by Chemometrics; Elsevier; SSRN; 30-6-2024; 1-30
1556-5068
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://papers.ssrn.com/sol3/papers.cfm?abstract_id=4712211
info:eu-repo/semantics/altIdentifier/doi/10.2139/ssrn.4712211
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
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:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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