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Zhang, XH; Li, M; Wang, YT; Ouyang, ZC; Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
Formation and dissociation of protonated cytosine-cytosine base pairs in i-motifs by ab initio quantum chemical calculations
Source PublicationCHINESE PHYSICS B
Language英语
KeywordCrystal-structure Gas-phase Dna Dynamics Telomere Strand
AbstractFormation 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.
2014
ISSN1674-1056
Volume23Issue:2Pages:20702
Subject AreaPhysics
DOI10.1088/1674-1056/23/2/020702
Indexed BySCI
Funding OrganizationNational 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) ; 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) ; 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) ; 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)
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Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/15483
Collection理论物理所科研产出_SCI论文
Corresponding AuthorWang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
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.
APA Zhang, XH,Li, M,Wang, YT,Ouyang, ZC,&Wang, YT .(2014).Formation and dissociation of protonated cytosine-cytosine base pairs in i-motifs by ab initio quantum chemical calculations.CHINESE PHYSICS B,23(2),20702.
MLA Zhang, XH,et al."Formation and dissociation of protonated cytosine-cytosine base pairs in i-motifs by ab initio quantum chemical calculations".CHINESE PHYSICS B 23.2(2014):20702.
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