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题名: Formation and dissociation of protonated cytosine-cytosine base pairs in i-motifs by ab initio quantum chemical calculations
作者: Zhang, XH ;  Li, M ;  Wang, YT ;  Ouyang, ZC
刊名: CHINESE PHYSICS B
出版日期: 2014
卷号: 23, 期号:2, 页码:20702
关键词: CRYSTAL-STRUCTURE ;  GAS-PHASE ;  DNA ;  DYNAMICS ;  TELOMERE ;  STRAND
学科分类: Physics
DOI: 10.1088/1674-1056/23/2/020702
通讯作者: Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
部门归属: [Zhang Xiao-Hu; Wang Yan-Ting; Ouyang Zhong-Can] Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China; [Li Ming] Univ Chinese Acad Sci, Dept Phys Sci, Beijing 100190, Peoples R China
英文摘要: Formation and dissociation mechanisms of C-C+ base pairs in acidic and alkaline environments are investigated, employing ab initio quantum chemical calculations. Our calculations suggest that, in an acidic environment, a cytosine monomer is first protonated and then dimerized with an unprotonated cytosine monomer to form a C-C+ base pair; in an alkaline environment, a protonated cytosine dimer is first unprotonated and then dissociated into two cytosine monomers. In addition, the force for detaching a C-C+ base pair was found to be inversely proportional to the distance between the two cytosine monomers. These results provide a microscopic mechanism to qualitatively explain the experimentally observed reversible formation and dissociation of i-motifs.
资助者: National Basic Research Program of China (973 Program) [2013CB932804]; National Natural Science Foundation of China [91227115, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS)
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000332104800026
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/15483
Appears in Collections:理论物理所2014年知识产出 _期刊论文

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Recommended Citation:
Zhang, XH,Li, M,Wang, YT,et al. Formation and dissociation of protonated cytosine-cytosine base pairs in i-motifs by ab initio quantum chemical calculations[J]. CHINESE PHYSICS B,2014,23(2):20702.
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