{"title":"没食子酸电子传递机理的研究","authors":"Jelena R. Dorovic, D. Milenkovic, Z. Marković","doi":"10.1109/BIBE.2015.7367649","DOIUrl":null,"url":null,"abstract":"Free radical scavenging of gallic acid was studied through electron transfer mechanism (ET) in water and pentylethanoate solutions. Examination was performed using density functional theory (DFT) and Marcus theory. Three particular free radicals were selected for analysis of mechanistic pathway of the second step of sequential proton loss electron transfer (SPLET). Based on the thermochemical and kinetic data, it is presumed which hydroxyl group of gallic acid is more suitable for reaction through mentioned antioxidant mechanism. Obtained results are in line with our previous reports.","PeriodicalId":422807,"journal":{"name":"2015 IEEE 15th International Conference on Bioinformatics and Bioengineering (BIBE)","volume":"6 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2015-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Study of electron transfer mechanism of gallic acid\",\"authors\":\"Jelena R. Dorovic, D. Milenkovic, Z. Marković\",\"doi\":\"10.1109/BIBE.2015.7367649\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Free radical scavenging of gallic acid was studied through electron transfer mechanism (ET) in water and pentylethanoate solutions. Examination was performed using density functional theory (DFT) and Marcus theory. Three particular free radicals were selected for analysis of mechanistic pathway of the second step of sequential proton loss electron transfer (SPLET). Based on the thermochemical and kinetic data, it is presumed which hydroxyl group of gallic acid is more suitable for reaction through mentioned antioxidant mechanism. Obtained results are in line with our previous reports.\",\"PeriodicalId\":422807,\"journal\":{\"name\":\"2015 IEEE 15th International Conference on Bioinformatics and Bioengineering (BIBE)\",\"volume\":\"6 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.2015.7367649\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2015 IEEE 15th International Conference on Bioinformatics and Bioengineering (BIBE)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/BIBE.2015.7367649","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Study of electron transfer mechanism of gallic acid
Free radical scavenging of gallic acid was studied through electron transfer mechanism (ET) in water and pentylethanoate solutions. Examination was performed using density functional theory (DFT) and Marcus theory. Three particular free radicals were selected for analysis of mechanistic pathway of the second step of sequential proton loss electron transfer (SPLET). Based on the thermochemical and kinetic data, it is presumed which hydroxyl group of gallic acid is more suitable for reaction through mentioned antioxidant mechanism. Obtained results are in line with our previous reports.
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