{"title":"Mechanisms of scavenging reactions of alizarin with hydroperoxyl and methylperoxyl radicals","authors":"S. Jeremic, Ana D. Amic, Z. Marković","doi":"10.1109/BIBE.2015.7367659","DOIUrl":null,"url":null,"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.","PeriodicalId":422807,"journal":{"name":"2015 IEEE 15th International Conference on Bioinformatics and Bioengineering (BIBE)","volume":"228 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2015-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2015 IEEE 15th International Conference on Bioinformatics and Bioengineering (BIBE)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/BIBE.2015.7367659","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1
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.
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