Title :
Mechanisms of scavenging reactions of alizarin with hydroperoxyl and methylperoxyl radicals
Author :
Svetlana R. Jeremi?;Ana D. Ami?;Zoran S. Markovi?
Author_Institution :
State University of Novi Pazar, Department of Chemical-Technological Sciences, Vuka Karad?i?a bb, 36300 Novi Pazar, Serbia
Abstract :
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.
Keywords :
"Atomic measurements","Hydrogen","Protons","Mathematical model","Entropy","Geometry"
Conference_Titel :
Bioinformatics and Bioengineering (BIBE), 2015 IEEE 15th International Conference on
DOI :
10.1109/BIBE.2015.7367659
