DFT Studies on the Antioxidant Activity of Naringenin and Its Derivatives: Effects of the Substituents at C3

DFT Studies on the Antioxidant Activity of Naringenin and Its Derivatives: Effects of the Substituents at C3

The radical scavenging activity of a flavonoid is largely influenced by its structure. The effects of the substituents at C3 position on the antioxidant activity of naringenin were carried out using the density functional theory (DFT) method. The reaction enthalpies related with the three well-estab...

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Bibliographic Details
Main Authors: Yan-Zhen Zheng, Geng Deng, Rui Guo, Da-Fu Chen, Zhong-Min Fu
Format: Article
Language:English
Published: MDPI AG 2019-03-01
Series:International Journal of Molecular Sciences
Subjects:
naringenin
substituent effect
structure-antioxidant activity relationship
Hammett sigma constants
density functional theory
Online Access:https://www.mdpi.com/1422-0067/20/6/1450

Internet

https://www.mdpi.com/1422-0067/20/6/1450

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