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题名: Theoretical Investigation on the Absence of Spore Photoproduct Analogue at Cytosine-Thymine Site
作者: Du, Qian1;  Zhao, Hong-mei1;  Su, Hong-mei1
关键词: DNA photolesion ;  Cytosine phosphate thymine (CpT) ;  SP photoproduct analogue ;  Density functional theory
刊名: CHINESE JOURNAL OF CHEMICAL PHYSICS
发表日期: 2013-12-01
DOI: 10.1063/1674-0068/26/06/661-668
卷: 26, 期:6, 页:661-668
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
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.
关键词[WOS]: ULTRAVIOLET-RADIATION ;  CHEMICAL-REACTIVITY ;  REACTION-MECHANISM ;  CELLULAR-DNA ;  ELUCIDATION ;  DIMERS ;  LESION ;  DAMAGE ;  LIGHT ;  DFT
语种: 英语
WOS记录号: WOS:000330591600008
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/137962
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, BNLMS, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China

Recommended Citation:
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.
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