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- W2951380441 abstract "Isoflavonoids and isoflavonoid glycosides have drawn much attention because of their antioxidant radical-scavenging capacity. Based on computational methods, we now present the antioxidant potential results of genistein ( 1 ), biochanin A ( 2 ), ambocin ( 3 ), and tectorigenin 7- O -[ β -D-apiofuranosyl-(1-6)- β -D-glucopyranoside] ( 4 ). The optimized structures of the neutral and radical forms have been determined by the DFT-B3LYP method with the 6-311G(d) basis set. From the findings and thermodynamic point of view, the ring B system of isoflavones is considered as an active center in facilitating antioxidant reactions. Antioxidant activities are mostly driven by O-H bond dissociation enthalpy (BDE) following hydrogen atom transfer (HAT) mechanism. Antioxidant ability can be arranged in the following order: compounds ( 4 ) > ( 3 ) > ( 2 ) > ( 1 ). Of comprehensive structural analysis, flavonoids with 4′-methylation and 6-methoxylation, especially 7-glycosylation would claim responsibility for antioxidant enhancement." @default.
- W2951380441 created "2019-06-27" @default.
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- W2951380441 date "2019-06-24" @default.
- W2951380441 modified "2023-09-25" @default.
- W2951380441 title "Isoflavones and Isoflavone Glycosides: Structural-Electronic Properties and Antioxidant Relations—A Case of DFT Study" @default.
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- W2951380441 doi "https://doi.org/10.1155/2019/4360175" @default.
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