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Theoretical Investigation on the Absence of Spore Photoproduct Analogue at Cytosine-Thymine Site
Du, Qian; Zhao, Hong-mei; Su, Hong-mei
关键词Dna Photolesion Cytosine Phosphate Thymine (Cpt) Sp Photoproduct Analogue Density Functional Theory
刊名CHINESE JOURNAL OF CHEMICAL PHYSICS
2013-12-01
DOI10.1063/1674-0068/26/06/661-668
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
关键词[WOS]ULTRAVIOLET-RADIATION ; CHEMICAL-REACTIVITY ; REACTION-MECHANISM ; CELLULAR-DNA ; ELUCIDATION ; DIMERS ; LESION ; DAMAGE ; LIGHT ; DFT
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
WOS记录号WOS:000330591600008
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被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/137962
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, BNLMS, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
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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.
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