1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage

Autores
Alonso Salces, Rosa Maria; Gallo, Blanca; Collado, María Isabel; Sasía Arriba, Andrea; Viacava, Gabriela Elena; García González, Diego Luis; Gallina Toschi, Tullia; Servili, Maurizio; Berrueta, Luis Ángel
Año de publicación
2021
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Metabolomic fingerprinting of virgin olive oil (VOO) by 1H NMR spectroscopy was used to study its stability during storage simulating normal shelf life conditions during its commercialization. A representative set of VOOs covering the full range of possible chemical compositions were exposed to light (500 lux for 12 h/day) at 25 °C for 12 months or stored in the dark at 25 °C, 30 °C and 35 °C for 24 months. Multivariate data analysis of the 1H NMR spectra of the oil samples provided classification models to evaluate VOO freshness and to verify the light exposure of the VOO during storage, as well as regression models to determine VOO storage time and tentatively the best before date of a fresh VOO. These predictive models disclosed the chemical compounds responsible for the compositional changes in VOO due to hydrolytic and oxidative degradation taking place during its storage, and confirmed that light and increasing temperature enhance these processes. The presence of characteristic resonances of hydroperoxides (primary oxidation products) and the decrease of 1H signals assigned to phenolic compounds, mainly secoiridoid derivatives, and other minor compounds such as fatty acids, squalene and native (E)-2-hexenal present in fresh VOO revealed its oxidative degradation. Further, the emergence of low intensity 1H signals of saturated aldehydes meant that the secondary oxidation process has started at a low rate and yield. Moreover, the decrease of the 1H signals of triacylglycerides and sn-1,2-diacylglycerides, and the increase of sn-1,3-diacylglycerides indicated that hydrolytic degradation of VOO and diacylglyceride isomerisation was occurring. 1H NMR fingerprint of VOO together with pattern recognition techniques afford relevant information to assess the quality of VOOs taking into consideration legal, sensory and health-promoting aspects.
Fil: Alonso Salces, Rosa Maria. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Biología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata; Argentina
Fil: Gallo, Blanca. Universidad del País Vasco; España
Fil: Collado, María Isabel. Universidad del País Vasco; España
Fil: Sasía Arriba, Andrea. Universidad del País Vasco; España
Fil: Viacava, Gabriela Elena. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Departamento de Ingeniería Química. Grupo de Investigación en Ingeniería en Alimentos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata; Argentina
Fil: García González, Diego Luis. Universidad Pablo de Olavide; España
Fil: Gallina Toschi, Tullia. Universidad de Bologna; Italia
Fil: Servili, Maurizio. Università di Perugia; Italia
Fil: Berrueta, Luis Ángel. Universidad del País Vasco; España
Materia
CHEMOMETRICS
HYDROLYTIC DEGRADATION
NUCLEAR MAGNETIC RESONANCE
OLIVE OIL
OXIDATIVE DEGRADATION
STABILITY
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/153515
Acceder
id CONICETDig_acc8ecb0bfebe98e33026209d5195599
oai_identifier_str oai:ri.conicet.gov.ar:11336/153515
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storageAlonso Salces, Rosa MariaGallo, BlancaCollado, María IsabelSasía Arriba, AndreaViacava, Gabriela ElenaGarcía González, Diego LuisGallina Toschi, TulliaServili, MaurizioBerrueta, Luis ÁngelCHEMOMETRICSHYDROLYTIC DEGRADATIONNUCLEAR MAGNETIC RESONANCEOLIVE OILOXIDATIVE DEGRADATIONSTABILITYhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Metabolomic fingerprinting of virgin olive oil (VOO) by 1H NMR spectroscopy was used to study its stability during storage simulating normal shelf life conditions during its commercialization. A representative set of VOOs covering the full range of possible chemical compositions were exposed to light (500 lux for 12 h/day) at 25 °C for 12 months or stored in the dark at 25 °C, 30 °C and 35 °C for 24 months. Multivariate data analysis of the 1H NMR spectra of the oil samples provided classification models to evaluate VOO freshness and to verify the light exposure of the VOO during storage, as well as regression models to determine VOO storage time and tentatively the best before date of a fresh VOO. These predictive models disclosed the chemical compounds responsible for the compositional changes in VOO due to hydrolytic and oxidative degradation taking place during its storage, and confirmed that light and increasing temperature enhance these processes. The presence of characteristic resonances of hydroperoxides (primary oxidation products) and the decrease of 1H signals assigned to phenolic compounds, mainly secoiridoid derivatives, and other minor compounds such as fatty acids, squalene and native (E)-2-hexenal present in fresh VOO revealed its oxidative degradation. Further, the emergence of low intensity 1H signals of saturated aldehydes meant that the secondary oxidation process has started at a low rate and yield. Moreover, the decrease of the 1H signals of triacylglycerides and sn-1,2-diacylglycerides, and the increase of sn-1,3-diacylglycerides indicated that hydrolytic degradation of VOO and diacylglyceride isomerisation was occurring. 1H NMR fingerprint of VOO together with pattern recognition techniques afford relevant information to assess the quality of VOOs taking into consideration legal, sensory and health-promoting aspects.Fil: Alonso Salces, Rosa Maria. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Biología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata; ArgentinaFil: Gallo, Blanca. Universidad del País Vasco; EspañaFil: Collado, María Isabel. Universidad del País Vasco; EspañaFil: Sasía Arriba, Andrea. Universidad del País Vasco; EspañaFil: Viacava, Gabriela Elena. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Departamento de Ingeniería Química. Grupo de Investigación en Ingeniería en Alimentos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata; ArgentinaFil: García González, Diego Luis. Universidad Pablo de Olavide; EspañaFil: Gallina Toschi, Tullia. Universidad de Bologna; ItaliaFil: Servili, Maurizio. Università di Perugia; ItaliaFil: Berrueta, Luis Ángel. Universidad del País Vasco; EspañaElsevier2021-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/153515Alonso Salces, Rosa Maria; Gallo, Blanca; Collado, María Isabel; Sasía Arriba, Andrea; Viacava, Gabriela Elena; et al.; 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage; Elsevier; Food Control; 123; 5-2021; 1-130956-7135CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0956713520307477info:eu-repo/semantics/altIdentifier/doi/10.1016/j.foodcont.2020.107831info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:27:18Zoai:ri.conicet.gov.ar:11336/153515instacron: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:34982025-10-15 14:27:19.149CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage
title 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage
spellingShingle 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage
Alonso Salces, Rosa Maria
CHEMOMETRICS
HYDROLYTIC DEGRADATION
NUCLEAR MAGNETIC RESONANCE
OLIVE OIL
OXIDATIVE DEGRADATION
STABILITY
title_short 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage
title_full 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage
title_fullStr 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage
title_full_unstemmed 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage
title_sort 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage
dc.creator.none.fl_str_mv Alonso Salces, Rosa Maria
Gallo, Blanca
Collado, María Isabel
Sasía Arriba, Andrea
Viacava, Gabriela Elena
García González, Diego Luis
Gallina Toschi, Tullia
Servili, Maurizio
Berrueta, Luis Ángel
author Alonso Salces, Rosa Maria
author_facet Alonso Salces, Rosa Maria
Gallo, Blanca
Collado, María Isabel
Sasía Arriba, Andrea
Viacava, Gabriela Elena
García González, Diego Luis
Gallina Toschi, Tullia
Servili, Maurizio
Berrueta, Luis Ángel
author_role author
author2 Gallo, Blanca
Collado, María Isabel
Sasía Arriba, Andrea
Viacava, Gabriela Elena
García González, Diego Luis
Gallina Toschi, Tullia
Servili, Maurizio
Berrueta, Luis Ángel
author2_role author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv CHEMOMETRICS
HYDROLYTIC DEGRADATION
NUCLEAR MAGNETIC RESONANCE
OLIVE OIL
OXIDATIVE DEGRADATION
STABILITY
topic CHEMOMETRICS
HYDROLYTIC DEGRADATION
NUCLEAR MAGNETIC RESONANCE
OLIVE OIL
OXIDATIVE DEGRADATION
STABILITY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Metabolomic fingerprinting of virgin olive oil (VOO) by 1H NMR spectroscopy was used to study its stability during storage simulating normal shelf life conditions during its commercialization. A representative set of VOOs covering the full range of possible chemical compositions were exposed to light (500 lux for 12 h/day) at 25 °C for 12 months or stored in the dark at 25 °C, 30 °C and 35 °C for 24 months. Multivariate data analysis of the 1H NMR spectra of the oil samples provided classification models to evaluate VOO freshness and to verify the light exposure of the VOO during storage, as well as regression models to determine VOO storage time and tentatively the best before date of a fresh VOO. These predictive models disclosed the chemical compounds responsible for the compositional changes in VOO due to hydrolytic and oxidative degradation taking place during its storage, and confirmed that light and increasing temperature enhance these processes. The presence of characteristic resonances of hydroperoxides (primary oxidation products) and the decrease of 1H signals assigned to phenolic compounds, mainly secoiridoid derivatives, and other minor compounds such as fatty acids, squalene and native (E)-2-hexenal present in fresh VOO revealed its oxidative degradation. Further, the emergence of low intensity 1H signals of saturated aldehydes meant that the secondary oxidation process has started at a low rate and yield. Moreover, the decrease of the 1H signals of triacylglycerides and sn-1,2-diacylglycerides, and the increase of sn-1,3-diacylglycerides indicated that hydrolytic degradation of VOO and diacylglyceride isomerisation was occurring. 1H NMR fingerprint of VOO together with pattern recognition techniques afford relevant information to assess the quality of VOOs taking into consideration legal, sensory and health-promoting aspects.
Fil: Alonso Salces, Rosa Maria. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Biología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata; Argentina
Fil: Gallo, Blanca. Universidad del País Vasco; España
Fil: Collado, María Isabel. Universidad del País Vasco; España
Fil: Sasía Arriba, Andrea. Universidad del País Vasco; España
Fil: Viacava, Gabriela Elena. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Departamento de Ingeniería Química. Grupo de Investigación en Ingeniería en Alimentos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata; Argentina
Fil: García González, Diego Luis. Universidad Pablo de Olavide; España
Fil: Gallina Toschi, Tullia. Universidad de Bologna; Italia
Fil: Servili, Maurizio. Università di Perugia; Italia
Fil: Berrueta, Luis Ángel. Universidad del País Vasco; España
description Metabolomic fingerprinting of virgin olive oil (VOO) by 1H NMR spectroscopy was used to study its stability during storage simulating normal shelf life conditions during its commercialization. A representative set of VOOs covering the full range of possible chemical compositions were exposed to light (500 lux for 12 h/day) at 25 °C for 12 months or stored in the dark at 25 °C, 30 °C and 35 °C for 24 months. Multivariate data analysis of the 1H NMR spectra of the oil samples provided classification models to evaluate VOO freshness and to verify the light exposure of the VOO during storage, as well as regression models to determine VOO storage time and tentatively the best before date of a fresh VOO. These predictive models disclosed the chemical compounds responsible for the compositional changes in VOO due to hydrolytic and oxidative degradation taking place during its storage, and confirmed that light and increasing temperature enhance these processes. The presence of characteristic resonances of hydroperoxides (primary oxidation products) and the decrease of 1H signals assigned to phenolic compounds, mainly secoiridoid derivatives, and other minor compounds such as fatty acids, squalene and native (E)-2-hexenal present in fresh VOO revealed its oxidative degradation. Further, the emergence of low intensity 1H signals of saturated aldehydes meant that the secondary oxidation process has started at a low rate and yield. Moreover, the decrease of the 1H signals of triacylglycerides and sn-1,2-diacylglycerides, and the increase of sn-1,3-diacylglycerides indicated that hydrolytic degradation of VOO and diacylglyceride isomerisation was occurring. 1H NMR fingerprint of VOO together with pattern recognition techniques afford relevant information to assess the quality of VOOs taking into consideration legal, sensory and health-promoting aspects.
publishDate 2021
dc.date.none.fl_str_mv 2021-05
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/11336/153515
Alonso Salces, Rosa Maria; Gallo, Blanca; Collado, María Isabel; Sasía Arriba, Andrea; Viacava, Gabriela Elena; et al.; 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage; Elsevier; Food Control; 123; 5-2021; 1-13
0956-7135
CONICET Digital
CONICET
url http://hdl.handle.net/11336/153515
identifier_str_mv Alonso Salces, Rosa Maria; Gallo, Blanca; Collado, María Isabel; Sasía Arriba, Andrea; Viacava, Gabriela Elena; et al.; 1H–NMR fingerprinting and supervised pattern recognition to evaluate the stability of virgin olive oil during storage; Elsevier; Food Control; 123; 5-2021; 1-13
0956-7135
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://www.sciencedirect.com/science/article/pii/S0956713520307477
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.foodcont.2020.107831
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
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 13.22299

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