Methylation reaction for four DNA base molecules by methanediazonium ions |
| |
Authors: | Lan Li ZhiHao Qu Hong Wang ZongHe Li |
| |
Institution: | (1) Shanghai Institute of Technology, Shanghai, 200235, China;(2) College of Chemistry, Beijing Normal University, Beijing, 100875, China |
| |
Abstract: | The methylation reactions at ten nucleophilic sites in four DNA base molecules with methanediazonium ions (CH3N2
+) have been theoretically investigated including solvent effects at the B3LYP/6-31G** and MP2/6-31G** levels. The results show that all the methylation reactions have relatively small activation energy (<33.5 kJ/mol), and the
methylation process is exothermic reaction and easy to occur. This study shows that the ultimate carcinogen CH3N2
+ by NDMA can easily methylate DNA base molecules and form carcinogenic products.
Supported by the Shanghai Municipal Education Commission (Grant No. YYY-07015) and Shanghai Institute of Technology (Grant
No. YJ2007-36) |
| |
Keywords: | CH3N2 + DNA methylation |
本文献已被 CNKI SpringerLink 等数据库收录! |
|