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dc.contributor.author
Uranga, Jorge Gustavo
dc.contributor.author
Podio, Natalia Soledad
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Wunderlin, Daniel Alberto
dc.contributor.author
Santiago, Ana Noemi
dc.date.available
2018-06-18T14:11:06Z
dc.date.issued
2016-08
dc.identifier.citation
Uranga, Jorge Gustavo; Podio, Natalia Soledad; Wunderlin, Daniel Alberto; Santiago, Ana Noemi; Theoretical and experimental study of the antioxidant behaviors of 5-O-Caffeoylquinic, quinic and caffeic acids based on electronic and structural properties; Wiley-Blackwell; ChemistrySelect; 1; 13; 8-2016; 4113-4120
dc.identifier.issn
2365-6549
dc.identifier.uri
http://hdl.handle.net/11336/48946
dc.description.abstract
The aim of this study was to elucidate the structural and electronic factors that determine the antioxidant capacity of 5-O-caffeoylquinic, caffeic and quinic acids under different experimental conditions. Antioxidant capacity was measured using different in vitro assays, involving diverse mechanisms of antioxidant action, namely, radical scavenging or reduction. The mechanisms of these reactions were analyzed by a theoretical study using the Density Functional Theory. Results allow relating in vitro antioxidant capacity of these three compounds with their chemical structures. The antioxidant capacity experimentally observed for these three acids was interpreted considering the reaction mechanism involved, the nature and stability of the intermediate formed, the formation and reaction of secondary compounds, and the effect of the reaction medium. The main goal of this report is presenting a theoretical analysis of reactions implicated in the antioxidant capacity, identifying the causes that increase or decrease such property. Thus, we present a quantum mechanical description of the antioxidant properties involved with these three compounds, considering equilibria and secondary oxidations involved.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Wiley-Blackwell
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Antioxidant Capacity
dc.subject
Dft
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Intermediates
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Mechanism
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Secondary Oxidations
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Otras Ciencias Químicas
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Theoretical and experimental study of the antioxidant behaviors of 5-O-Caffeoylquinic, quinic and caffeic acids based on electronic and structural properties
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-06-12T18:41:00Z
dc.journal.volume
1
dc.journal.number
13
dc.journal.pagination
4113-4120
dc.journal.pais
Alemania
dc.journal.ciudad
Weinheim
dc.description.fil
Fil: Uranga, Jorge Gustavo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.description.fil
Fil: Podio, Natalia Soledad. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Ciencia y Tecnología de Alimentos Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Ciencia y Tecnología de Alimentos Córdoba; Argentina
dc.description.fil
Fil: Wunderlin, Daniel Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.description.fil
Fil: Santiago, Ana Noemi. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Ciencia y Tecnología de Alimentos Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Ciencia y Tecnología de Alimentos Córdoba; Argentina
dc.journal.title
ChemistrySelect
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/slct.201600582
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1002/slct.201600582
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