Effect of Hydroxylation on Structures and Proton Transfer of A-T Base Pairs

NWIPB OpenIR

	Effect of Hydroxylation on Structures and Proton Transfer of A-T Base Pairs
	Shi Jun-You 1,2; Dong Li-Hua 1,2; Liu Yong-Jun 1
	2010-12-01
发表期刊	ACTA PHYSICO-CHIMICA SINICA
ISSN	1000-6818
卷号	26 期号:12 页码:3329-3336
文章类型	Article
摘要	The structures and proton transfer processes of hydroxylated A-T base pairs were theoretically studied at the B3LYP/6-31++G(d,p)//B3LYP/6-31G(d,p) level. Our calculations revealed that hydroxyl radical could react with A-T at different positions to form eight stable adducts. The order of these adducts in energy is (8OH)A-T
关键词	Density Functional Theory Base Pair Hydroxylation Proton Transfer Singly Occupied Molecular Orbital
WOS标题词	Science & Technology ; Physical Sciences
关键词[WOS]	ADENINE-THYMINE ; TRANSFORMATION REACTIONS ; CYTOSINE ; INITIO ; DENSITY ; DNA ; NUCLEOTIDES ; NUCLEOSIDES ; MECHANISM ; ADDUCTS
收录类别	SCI
语种	英语
WOS研究方向	Chemistry
WOS类目	Chemistry, Physical
WOS记录号	WOS:000284912800031
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://210.75.249.4/handle/363003/1622
专题	中国科学院西北高原生物研究所
作者单位	1.Chinese Acad Sci, NW Inst Plateau Biol, Xining 810001, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Shi Jun-You,Dong Li-Hua,Liu Yong-Jun. Effect of Hydroxylation on Structures and Proton Transfer of A-T Base Pairs[J]. ACTA PHYSICO-CHIMICA SINICA,2010,26(12):3329-3336.
APA	Shi Jun-You,Dong Li-Hua,&Liu Yong-Jun.(2010).Effect of Hydroxylation on Structures and Proton Transfer of A-T Base Pairs.ACTA PHYSICO-CHIMICA SINICA,26(12),3329-3336.
MLA	Shi Jun-You,et al."Effect of Hydroxylation on Structures and Proton Transfer of A-T Base Pairs".ACTA PHYSICO-CHIMICA SINICA 26.12(2010):3329-3336.