A comparative investigation on the scavenging of 2,2-diphenyl-1-picrylhydrazyl radical by the natural antioxidants (+) catechin and (-) epicatechin
Journal of Molecular Structure(2021)
摘要
•2,2-diphenyl-1-picrylhydrazyl radical (DPPH•) scavenging capacity of natural antioxidants catechin (CT) and epicatechin (ECT) was investigated experimentally.•Theoretical outcome predicted that interaction between CT/ECT and DPPH• could take place spontaneously with an exothermic process.•The observed red shift in the normal mode of vibration at the active site of CT/ECT mainly ascribed to the hydrogen bond (O-O-H…N) interaction with DPPH•.•Topological and AIM analysis confirms the non-covalent type interaction.
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关键词
(+) Catechin,(-) Epicatechin,DPPH•,Antioxidant activity,Hydrogen bonded interaction,Topological analysis
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