Theoretical Investigation on the Absence of Spore Photoproduct Analogue at Cytosine-Thymine Site

doi:10.1063/1674-0068/26/06/661-668

CORC > 化学研究所 > 中国科学院化学研究所

	Theoretical Investigation on the Absence of Spore Photoproduct Analogue at Cytosine-Thymine Site
	Du, Qian; Zhao, Hong-mei; Su, Hong-mei
刊名	CHINESE JOURNAL OF CHEMICAL PHYSICS
	2013-12-01
卷号	26 期号:6 页码:661-668
关键词	Dna Photolesion Cytosine Phosphate Thymine (Cpt) Sp Photoproduct Analogue Density Functional Theory
ISSN号	1674-0068
DOI	10.1063/1674-0068/26/06/661-668
英文摘要	As a well known DNA photolesion product, the special UV induced pyrimidine dimmer called spore photoproduct (SP), has aroused strong research interests. The SP formation was reported solely between two adjacent thymidine residues. It remains unclear in pervious experimental observations why there is an absence of the cytosine-derived SP-like photoproduct formation at the cytosine containing DNA strand, although the cytosine residue holds great similarity to thymine in terms of molecular structure. From a theoretical perspective, we have explored this issue in this work by means of density functional theory at the B3LYP/6-311++G(d,p)//B3LYP/6-31G(d,p) level for the DNA dinucleotide fragment, cytosine phosphate thymine (CpT). Key factors blocking the formation of the SP-like product between two adjacent cytosine and thymidine residues are revealed. Instead of undergoing photochemical SP reaction, a photophysical deactivation pathway back to the ground state turns out to be favorable for the CpT dinucleotide fragment.
语种	英语
出版者	CHINESE PHYSICAL SOC
WOS记录号	WOS:000330591600008
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/54099]
专题	中国科学院化学研究所
通讯作者	Su, Hong-mei
作者单位	Chinese Acad Sci, BNLMS, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Du, Qian,Zhao, Hong-mei,Su, Hong-mei. Theoretical Investigation on the Absence of Spore Photoproduct Analogue at Cytosine-Thymine Site[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2013,26(6):661-668.
APA	Du, Qian,Zhao, Hong-mei,&Su, Hong-mei.(2013).Theoretical Investigation on the Absence of Spore Photoproduct Analogue at Cytosine-Thymine Site.CHINESE JOURNAL OF CHEMICAL PHYSICS,26(6),661-668.
MLA	Du, Qian,et al."Theoretical Investigation on the Absence of Spore Photoproduct Analogue at Cytosine-Thymine Site".CHINESE JOURNAL OF CHEMICAL PHYSICS 26.6(2013):661-668.