PM6 study of free radical scavenging mechanisms of flavonoids: Why does O-H bond dissociation enthalpy effectively represent free radical scavenging activity?

Journal of Molecular Modeling

Volumn 19, Issue 6, 2013, Pages 2593-2603

  Amić, Dragan ^a   Stepanić, Višnja ^b   Lučić, Bono ^b   Marković, Zoran ^c   Dimitrić Marković, Jasmina M ^d  

^a JOSIP JURAJ STROSSMAYER UNIVERSITY OF OSIJEK   (Croatia)

^b RUDER BO KOVI INSTITUTE   (Croatia)

^c STATE UNIVERSITY OF NOVI PAZAR   (Serbia)

^d UNIVERSITY OF BELGRADE   (Serbia)

Author keywords

Bond dissociation enthalpy; Flavonoids; Hydrogen atom transfer; Radical scavenging; Sequential proton loss electron transfer; Single electron transfer followed by proton transfer

Indexed keywords

3 OH FLAVONE; 5 OH FLAVONE; 7 OH FLAVONE; ANTIOXIDANT; APIGENIN; AURANTIIN; CHRYSIN; FISETIN; FLAVONOID; FUSTIN; GALANGIN; HESPERETIN; KAEMPFEROL; KAEMPFEROL 3,7 DIRHAMNOSIDE; LARICYTRIN; LARICYTRIN 3' GLUCOSIDE; LUTEOLIN 7 GLUCOSIDE; MORIN; MYRICETIN; NARINGENIN; POLYPHENOL; QUERCETIN; QUERCETIN 3 GLUCO 7 RHAMNOSIDE; ROBINETIN; SCAVENGER; SOLVENT; TAXIFOLIN; UNCLASSIFIED DRUG; VITEXIN;

ANTIOXIDANT ACTIVITY; ARTICLE; ATOM TRANSFER RADICAL POLYMERIZATION; BOND DISSOCIATION ENTHALPY; ELECTRON TRANSPORT; ENTHALPY; HYDROGEN BOND; PARTICULATE MATTER; PRIORITY JOURNAL; PROTON TRANSPORT; THERMODYNAMICS;

FLAVONOIDS; FREE RADICAL SCAVENGERS; FREE RADICALS; HYDROGEN; HYDROGEN BONDING; MODELS, CHEMICAL; OXIDATION-REDUCTION; QUERCETIN; SOLVENTS;

EID: 84878762098     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1800-5     Document Type: Article

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