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  1. RePhyChem
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  3. Journal Article
Please use this identifier to cite or link to this item: https://dspace.ffh.bg.ac.rs/handle/123456789/1011
DC FieldValueLanguage
dc.contributor.authorAmić, Anaen_US
dc.contributor.authorMilenković, Dejanen_US
dc.contributor.authorDimitrić Marković, Jasminaen_US
dc.contributor.authorMarković, Zoranen_US
dc.date.accessioned2022-12-16T17:14:12Z-
dc.date.available2022-12-16T17:14:12Z-
dc.date.issued2020-01-01-
dc.identifier.issn1820-6530-
dc.identifier.urihttps://dspace.ffh.bg.ac.rs/handle/123456789/1011-
dc.description.abstractFree 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.en_US
dc.relation.ispartofJournal of the Serbian Society for Computational Mechanicsen_US
dc.subjectEquolen_US
dc.subjectFHAT mechanismen_US
dc.subjectFree radical scavengingen_US
dc.subjectTunnelingen_US
dc.titleDo Equol's C-ring hydrogens contribute to free radical scavenging?en_US
dc.typeArticleen_US
dc.identifier.doi10.24874/jsscm.2020.01.05-
dc.identifier.scopus2-s2.0-85089280159-
dc.identifier.urlhttps://api.elsevier.com/content/abstract/scopus_id/85089280159-
dc.relation.firstpage45en_US
dc.relation.lastpage58en_US
dc.relation.issueSpecialIssueen_US
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextNo Fulltext-
item.openairetypeArticle-
item.cerifentitytypePublications-
item.grantfulltextnone-
crisitem.author.orcid0000-0003-4796-6251-
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University of Belgrade
Faculty of Physical Chemistry
Studentski trg 12-16
11158 Belgrade 118
PAC 105305
SERBIA
University of Belgrade Faculty of Physical Chemistry