Antioxidant Motifs in Flavonoids: O-H versus C-H Bond Dissociation.
Journal
ACS omega
ISSN: 2470-1343
Titre abrégé: ACS Omega
Pays: United States
ID NLM: 101691658
Informations de publication
Date de publication:
31 May 2019
31 May 2019
Historique:
received:
11
03
2019
accepted:
09
05
2019
entrez:
29
8
2019
pubmed:
29
8
2019
medline:
29
8
2019
Statut:
epublish
Résumé
Flavonoids provide potential health benefits due to their antioxidant properties. The antioxidant activity of natural flavonoids is primarily exerted by phenolic hydroxyl groups; however, C-H bonds also contribute to these properties. In this study, the contributions of phenolic groups and C-H bonds to the antioxidant properties of 13 flavonoids were investigated by using the (RO)B3LYP/6-311++G(2df,2p)//B3LYP/6-311G(d,p) model chemistry in the gas phase and water and ethanol solvents. It was found that the C-H bonds have lower bond dissociation energies than O-H bonds in the 4-carbonyl and/or 3-hydroxyl group containing flavonoids and hence define antioxidant activity. The HOO
Identifiants
pubmed: 31459981
doi: 10.1021/acsomega.9b00677
pmc: PMC6648838
doi:
Types de publication
Journal Article
Langues
eng
Pagination
8935-8942Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
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