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Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers
Cao Guo-Jin1,2; Zheng Wei-Jun3
关键词Nucleobase Tautomer Density Functional Calculation Electron Affinity Ionization Potential Proton Affinity
刊名ACTA PHYSICO-CHIMICA SINICA
2013-10-01
DOI10.3866/PKU.WHXB201308011
29期:10页:2135-2147
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical
研究领域[WOS]Chemistry
关键词[WOS]NUCLEIC-ACID BASES ; DENSITY-FUNCTIONAL THEORY ; EXPERIMENTAL-MATRIX-ISOLATION ; PROTON-TRANSFER REACTION ; AB-INITIO CALCULATIONS ; POST-HARTREE-FOCK ; GAS-PHASE ; RELATIVE STABILITIES ; ELECTRON CORRELATION ; CYTOSINE TAUTOMERS
英文摘要Nucleobases in DNA and RNA are important building blocks of the genetic codes and are critical in transferring genetic information. In general, nucleobases have many tautomers; but in DNA and RNA molecules they are mainly presented in the most stable forms. Uncommon tautomers can cause mispairing of base pairs to form irregular structures of DNA and RNA that lead to spontaneous mutations during replication. Thus, systematic studies of nucleobase tautomers are very important in understanding the structures and the characteristics of DNA and RNA. This review summarizes the experimental and theoretical studies in the literature and our density functional calculations on all the nucleobase tautomers. The relative energies of nucleobase tautomers and the structures of their lowest-energy tautomers from our calculations are in good agreement with the experimental values in the literature. In addition, we also summarize the information of electron affinities, ionization potentials, and proton affinities of nucleobases reported in the literature.
语种英语
WOS记录号WOS:000324861700011
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被引频次:5[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/321008/137973
专题中国科学院大连化学物理研究所
作者单位1.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China
2.Tsinghua Univ, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China
3.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
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Cao Guo-Jin,Zheng Wei-Jun. Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers[J]. ACTA PHYSICO-CHIMICA SINICA,2013,29(10):2135-2147.
APA Cao Guo-Jin,&Zheng Wei-Jun.(2013).Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers.ACTA PHYSICO-CHIMICA SINICA,29(10),2135-2147.
MLA Cao Guo-Jin,et al."Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers".ACTA PHYSICO-CHIMICA SINICA 29.10(2013):2135-2147.
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