Electron Attachment to Hydrated Oligonucleotide Dimers: Guanylyl-3 ',5 '-Cytidine and Cytidylyl-3 ',5 '-Guanosine
文献类型：期刊论文
| 作者 | Gu, Jiande1 ; Xie, Yaoming2; Schaefer, Henry F., III2
|
| 刊名 | CHEMISTRY-A EUROPEAN JOURNAL
 |
| 出版日期 | 2010 |
| 卷号 | 16期号:17页码:5089-5096 |
| 关键词 | density functional calculations DNA electron affinity oligonucleotides radical ions |
| ISSN号 | 0947-6539 |
| DOI | 10.1002/chem.200902977 |
| 文献子类 | Article |
| 英文摘要 | The dinucleoside phosphate deoxycytidylyl-3',5'-deoxyguanosine (dCpdG) and deoxyguanylyl-3',5'-deoxycytidine (dGpdC) systems are among the largest to be studied by reliable theoretical methods. Exploring electron attachment to these subunits of DNA single strands provides significant progress toward definitive predictions of the electron affinities of DNA single strands. The adiabatic electron affinities of the oligonucleotides are found to be sequence dependent. Deoxycytidine (dC) on the 5' end, dCpdG, has larger adiabatic electron affinity (AEA, 0.90 eV) than dC on the 3' end of the oligomer (dGpdC, 0.66 eV). The geometric features, molecular orbital analyses, and charge distribution studies for the radical anions of the cytidine-containing oligonucleotides demonstrate that the excess electron in these anionic systems is dominantly located on the cytosine nucleobase moiety. The sr-stacking interaction between nucleobases G and C seems unlikely to improve the electron-capturing ability of the oligonucleotide dimers. The influence of the neighbor- ing base on the electron-capturing ability of cytosine should be attributed to the intensified proton accepting donating interaction between the bases. The present investigation demonstrates that the vertical detachment energies (VDEs) of the radical anions of the oligonucleotides dGpdC and dCpdG are significantly larger than those of the corresponding nucleotides. Consequently, reactions with low activation barriers, such as those for O-C sigma bond and N-glycosidic bond breakage, might be expected for the radical anions of the guanosine cytosine mixed oligonucleotides. |
| WOS关键词 | DENSITY-FUNCTIONAL THEORY ; LOW-ENERGY ELECTRONS ; DNA-STRAND BREAKS ; THYMINE BASE-PAIR ; GLYCOSIDIC BOND-CLEAVAGE ; THEORETICAL AB-INITIO ; NUCLEIC-ACID BASES ; AQUEOUS-SOLUTION ; PROTON-TRANSFER ; PYRIMIDINE NUCLEOTIDES |
| 资助项目 | U.S. National Science Foundation[CHE-0749868] ; Chinese Academy of Sciences[00000000] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000277810800018 |
| 出版者 | WILEY-V C H VERLAG GMBH |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/279009]  |
| 专题 | 药物发现与设计中心 中科院受体结构与功能重点实验室 新药研究国家重点实验室 |
| 通讯作者 | Gu, Jiande |
| 作者单位 | 1.Chinese Acad Sci, Drug Design & Discovery Ctr, Shanghai Inst Mat Med, State Key Lab Drug Res,Shanghai Inst Biol Sci, Shanghai 201203, Peoples R China; 2.Univ Georgia, Ctr Computat Quantum Chem, Athens, GA 30602 USA |
| 推荐引用方式 GB/T 7714 | Gu, Jiande,Xie, Yaoming,Schaefer, Henry F., III. Electron Attachment to Hydrated Oligonucleotide Dimers: Guanylyl-3 ',5 '-Cytidine and Cytidylyl-3 ',5 '-Guanosine[J]. CHEMISTRY-A EUROPEAN JOURNAL,2010,16(17):5089-5096. |
| APA | Gu, Jiande,Xie, Yaoming,&Schaefer, Henry F., III.(2010).Electron Attachment to Hydrated Oligonucleotide Dimers: Guanylyl-3 ',5 '-Cytidine and Cytidylyl-3 ',5 '-Guanosine.CHEMISTRY-A EUROPEAN JOURNAL,16(17),5089-5096. |
| MLA | Gu, Jiande,et al."Electron Attachment to Hydrated Oligonucleotide Dimers: Guanylyl-3 ',5 '-Cytidine and Cytidylyl-3 ',5 '-Guanosine".CHEMISTRY-A EUROPEAN JOURNAL 16.17(2010):5089-5096. |
入库方式： OAI收割
来源：上海药物研究所
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