Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers
文献类型：期刊论文
| 作者 | Cao Guo-Jin1,2; Zheng Wei-Jun3 |
| 刊名 | acta physico-chimica sinica
 |
| 出版日期 | 2013-10-01 |
| 卷号 | 29期号:10页码:2135-2147 |
| 关键词 | Nucleobase Tautomer Density functional calculation Electron affinity Ionization potential Proton affinity |
| 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. |
| 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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000324861700011 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/137973]  |
| 专题 | 大连化学物理研究所_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 |
| 推荐引用方式 GB/T 7714 | 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. |
入库方式： OAI收割
来源：大连化学物理研究所
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