Quantum chemical investigation of the antiradical property of avenanthramides, oat phenolics

Avenanthramides (AVs) are polyphenolic components found in oats. The present work is devoted to the exploration of structure-based radical scavenging activity of nine AVs; 2p, 2f, 2c, 1p, 1c, 1f, 1s, 2s, and 3f, using M06-2X functional level of density functional theory with basis set 6-31+G(d, p) b...

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Bibliographic Details
Published in:Heliyon
Main Authors: Sumayya, P.C., Babu, Godsa Merin, Muraleedharan, K.
Format: Artigo
Language:Inglês
Published: Elsevier 2021
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7859309/
https://ncbi.nlm.nih.gov/pubmed/33553778
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2021.e06125
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