信阳师范学院学报（自然科学版）Issue(3)：341-343,3.DOI:10.3969/j.issn.1003-0972.2014.03.008
5-甲基胞嘧啶水解反应机理的理论研究
Theoretical Study on the Hydrolysis Reaction Mechanism of 5-methylcytosine
摘要
Abstract
The hydrolysis reaction mechanism and potential energy surface of 5-methylcytosine ( m5 C) were inves-tigated using density functional theory (DFT) at the B3LYP/6-31G**level.The results show that the hydrolysis reac-tion of m5 C includes two pathways:( A) With the water attacking at m 5 C, thymine is formed;( B) This pathway is as-sociated with a tetracoordinated intermediate formed and decomposed .Because the hydrolysis reaction of m 5 C has a higher barrier , the hydrolysis reaction of m 5 C does not take place for the opening system , which is agreement with the experimental result .The present calculations have rationalized and verified all the possible reaction channels .关键词
5-甲基胞嘧啶/水解反应/胸腺嘧啶Key words
5-methylcytosine/the hydrolysis reaction/thymine分类
化学化工引用本文复制引用
张爱华,杨宝华,李琳..5-甲基胞嘧啶水解反应机理的理论研究[J].信阳师范学院学报（自然科学版）,2014,(3):341-343,3.基金项目
首都医科大学科研启动基金项目 （）
