Antioxidant Motifs in Flavonoids: O-H versus C-H Bond Dissociation.

ABSTRACT: 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^· radical scavenging of the selected flavonoids is also investigated in detail through the potential ene

SUBMITTER: Vo QV 

PROVIDER: S-EPMC6648838 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature