Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/10702
Title: Do Equol's C-ring hydrogens contribute to free radical scavenging?
Authors: Amić A.
Milenkovic, Dejan
Dimitrić Marković J.
Marković, Zoran
Journal: Journal of the Serbian Society for Computational Mechanics
Issue Date: 1-Jan-2020
Abstract: © 2020, Serbian Society of Computational Mechanics. Free radical scavenging potency of physiologically active equol molecule, derived by gut microbiota from soy isoflavone daidzein, was investigated by using M06-2X/6-311++G(d, p) level of theory, accompanied with the TST and Eckart tunneling corrections for the estimation of rate constants. Phenolic hydrogens of equol are recognized as much more abstractable than C-ring hydrogens. This finding is opposite to the one very recently suggested, but in accordance with well-known facts related to the flavonoid chemistry and phenolic O-H vs C-H reactivity.
URI: https://scidar.kg.ac.rs/handle/123456789/10702
Type: Article
DOI: 10.24874/jsscm.2020.01.05
ISSN: 18206530
SCOPUS: 85089280159
Appears in Collections:Institute for Information Technologies, Kragujevac
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