Experimental and Theoretical Study of Deprotonation of DNA Adenine Cation Radical
文献类型：期刊论文
| 作者 | Jie, Jia-long1,3; Wang, Chen2; Zhao, Hong-mei1; Song, Di1; Su, Hong-mei1,2 |
| 刊名 | CHINESE JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2017-12-01 |
| 卷号 | 30期号:6页码:664-670 |
| 关键词 | Dna Adenine Deprotonation Rate Constant Activation Energy Barrier Density Functional Theory Calculation |
| ISSN号 | 1674-0068 |
| DOI | 10.1063/1674-0068/30/cjcp1710198 |
| 英文摘要 | Among all the DNA components, extremely redox-active guanine (G) and adenine (A) bases are subject to facile loss of an electron and form cation radicals (G(+) and A(+)) when exposed to irradiation or radical oxidants. The subsequent deprotonation of G(+) and A(+) can invoke DNA damage or interrupt hole transfer in DNA. However, compared with intensive reports for G+, studies on the deprotonation of A(+) are still limited at present. Herein, we investigate the deprotonation behavior of A(+) by time-resolved laser flash photolysis. The deprotonation product of A(N-6-H) is observed and the deprotonation rate constant, (2.0 +/- 0.1) x10(7) s(-1), is obtained at room temperature. Further, the deprotonation rate constants of A(+) are measured at temperatures varying from 280 K to 300 K, from which the activation energy for the N-6-H deprotonation is determined to be (17.1 +/- 1.0) kJ/mol by Arrhenius equation. In addition, by incorporating the aqueous solvent effect, we perform density functional theory calculations for A(+) deprotonation in free base and in duplex DNA. Together with experimental results, the deprotonation mechanisms of A(+) in free base and in duplex DNA are revealed, which are of fundamental importance for understanding the oxidative DNA damage and designing DNA-based electrochemical devices. |
| 语种 | 英语 |
| WOS记录号 | WOS:000423287900010 |
| 出版者 | CHINESE PHYSICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/45463]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Song, Di; Su, Hong-mei |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China 2.Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Jie, Jia-long,Wang, Chen,Zhao, Hong-mei,et al. Experimental and Theoretical Study of Deprotonation of DNA Adenine Cation Radical[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2017,30(6):664-670. |
| APA | Jie, Jia-long,Wang, Chen,Zhao, Hong-mei,Song, Di,&Su, Hong-mei.(2017).Experimental and Theoretical Study of Deprotonation of DNA Adenine Cation Radical.CHINESE JOURNAL OF CHEMICAL PHYSICS,30(6),664-670. |
| MLA | Jie, Jia-long,et al."Experimental and Theoretical Study of Deprotonation of DNA Adenine Cation Radical".CHINESE JOURNAL OF CHEMICAL PHYSICS 30.6(2017):664-670. |
入库方式： OAI收割
来源：化学研究所
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