DFT Study of the Direct Radical Scavenging Potency of Two Natural Catecholic Compounds

DFT Study of the Direct Radical Scavenging Potency of Two Natural Catecholic Compounds

To ascertain quercetin’s and rooperol’s potency of H-atom donation to CH<sub>3</sub>OO<sup>•</sup> and HOO<sup>•</sup>, thermodynamics, kinetics and tunnelling, three forms of chemical reaction control, were theoretically examined. In lipid media, H-atom donation...

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Bibliographic Details
Main Authors: Ana Amić, Denisa Mastiľák Cagardová
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:International Journal of Molecular Sciences
Subjects:
quercetin
rooperol
peroxyl radicals
density functional theory
kinetics
tunnelling
Online Access:https://www.mdpi.com/1422-0067/23/22/14497

Internet

https://www.mdpi.com/1422-0067/23/22/14497

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