DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides
文献类型：期刊论文
| 作者 | Bao, XG; Wang, J; Gu, JD ; Leszczynski, J
|
| 刊名 | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
 |
| 出版日期 | 2006-04-11 |
| 卷号 | 103期号:15页码:5658-5663 |
| 关键词 | low-energy electrons attachment |
| ISSN号 | 0027-8424 |
| DOI | 10.1073/pnas.0510406103 |
| 文献子类 | Article |
| 英文摘要 | To elucidate the mechanism of DNA strand breaks by low-energy electrons (LEE), theoretical investigations of the LEE attachmen-induced C-5'-O-5', or bond breaking of pyrimidine nucleciticles (5'-dCMPH and 5'-dTMPH) were performed by using the B3LYP/ DZP++ approach. The results indicate that the pyrimidine nucleciticles are able to capture electrons characterized by near-0-eV energy to form electronically stable radical anions in both the gas phase and aqueous solution. The mechanism of the LEE-induced single-strand bond breaking in DNA might involve the attachment of an electron to the bases of DNA and the formation of base-centered radical anions in the first step. Subsequently, these radical anions undergo either C-O or glycosidic bond breaking, yielding neutral ribose radical fragments and the corresponding phosphoric anions or base anions. The C-O bond cleavage is expected to dominate because of its low activation energy. In aqueous solutions, the significant increases in the electron affinities of pyrimidine nucleotides ensure the formation of electronically more stable radical anions of the nucleciticles. The low activation energy barriers for the C-5'-O-5', bond breaking predicted in this work are relevant when the counterions are close enough to the phosphate moiety of DNA. |
| WOS关键词 | GLYCOSIDIC BOND-CLEAVAGE ; LOW-ENERGY ELECTRONS ; AFFINITIES ; THYMINE ; DAMAGE ; MODEL ; NUCLEOSIDES ; FRAGMENTS ; CYTOSINE ; DENSITY |
| 资助项目 | NCRR NIH HHS[G1 2RR13459-21] |
| WOS研究方向 | Science & Technology - Other Topics |
| 语种 | 英语 |
| WOS记录号 | WOS:000236896200007 |
| 出版者 | NATL ACAD SCIENCES |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/273619]  |
| 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 | Leszczynski, J |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, State Key Lab Drug Res,Drug Design & Discovery Ct, Shanghai 201203, Peoples R China 2.Jackson State Univ, Dept Chem, Computat Ctr Mol Struct & Interact, Jackson, MS 39217 USA |
| 推荐引用方式 GB/T 7714 | Bao, XG,Wang, J,Gu, JD,et al. DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2006,103(15):5658-5663. |
| APA | Bao, XG,Wang, J,Gu, JD,&Leszczynski, J.(2006).DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,103(15),5658-5663. |
| MLA | Bao, XG,et al."DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides".PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 103.15(2006):5658-5663. |
入库方式： OAI收割
来源：上海药物研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。