重庆邮电大学学报（自然科学版）2011，Vol.23Issue(6)：780-784,5.DOI:10.3979/j.issn.1673-825X.2011.06.026
胸腺嘧啶紫外损伤与自修复机理的计算机模拟
Computer simulation for photo damage and self-repair of thymine
摘要
Abstract
A semiclassical dynamics simulation study is reported for excitement and deactivation of thymine molecule in order to research photo damage and self-repairs of DNA under UV irradiation. The laser pulse used to simulations is 5.0 eV with fwhm( full width of half maxium) of 50 femtoseconds. The simulation finds that the thymine molecule will be induced to excited state by UV irradiation. The deformations of thymine molecule in excited state maybe result in gene mutation. The non-radiation transition of excited thymine via deformation of C6 atom and H6 atom occurs within ultra-short timescale, lead thymine to its initial planar geometry and avoid UV photo damage. This research will provide theoretical supporting for prevention of skin cancer.关键词
胸腺嘧啶/光损伤/自修复/计算机模拟Key words
thymine/ photo damage/ self-repair/ computer simulation分类
化学化工引用本文复制引用
舒坤贤,马静,袁帅,豆育升..胸腺嘧啶紫外损伤与自修复机理的计算机模拟[J].重庆邮电大学学报（自然科学版）,2011,23(6):780-784,5.基金项目
重庆市自然科学基金项目(CSTC 2009BB5419,CSTC 2011jjA00009) （CSTC 2009BB5419,CSTC 2011jjA00009）
重庆市教委科学技术项目(KJ100507) （KJ100507）
重庆邮电大学博士启动基金(A2007-40,A2009-63) （A2007-40,A2009-63）
