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Mechanisms of scavenging reactions of alizarin with hydroperoxyl and methylperoxyl radicals (CROSBI ID 629434)

Prilog sa skupa u zborniku | izvorni znanstveni rad | međunarodna recenzija

Jeremić, Svetlana ; Amić, Ana ; Marković, Zoran Mechanisms of scavenging reactions of alizarin with hydroperoxyl and methylperoxyl radicals // Bioinformatics and Bioengineering (BIBE), 2015 IEEE 15th International Conference on. 2015. doi: 10.1109/BIBE.2015.7367659

Podaci o odgovornosti

Jeremić, Svetlana ; Amić, Ana ; Marković, Zoran

engleski

Mechanisms of scavenging reactions of alizarin with hydroperoxyl and methylperoxyl radicals

Alizarin is anthraquinone with moderate antioxidative capacity. In this work mechanisms of antioxidative activity of alizarin with hydroperoxy and methylperoxy radicals are investigated. All calculations are carried out using B3LYP-D2 method and 6-311+G(d, p) basis set. It is affirmed based on several parameters that hydroxyl group at position 2 is predominant for antiradical activity. PCET mechanism is estimated as favorable mechanism for scavenging activity of alizarin with two selected radicals.

alizarin ; antioxidative activity ; free radicals ; B3LYP-D2 method ; PCET

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Podaci o prilogu

15687529

2015.

objavljeno

10.1109/BIBE.2015.7367659

Podaci o matičnoj publikaciji

Bioinformatics and Bioengineering (BIBE), 2015 IEEE 15th International Conference on

Podaci o skupu

15th IEEE International Conference on BioInformatics and BioEngineering

predavanje

02.11.2015-04.11.2015

Beograd, Srbija

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