How Does the O-6-Methylation Regulate the Excited-State Decay of Guanine Monomers
文献类型：期刊论文
| 作者 | Zhou, Panwang1 ; Zhao, Li2
|
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2019-01-10 |
| 卷号 | 123期号:1页码:201-206 |
| ISSN号 | 1520-6106 |
| DOI | 10.1021/acs.jpcb.8b08606 |
| 通讯作者 | Zhou, Panwang(pwzhou@dicp.ac.cn) |
| 英文摘要 | In this study, the photoinduced ultrafast deactivations of O-6-methylguanosine in aqueous solution are mapped by employing multireference methods with implicit solvation model on a reduced model compound 9-methyl-O-6-methylguanine (9Me-6MeGua). Although four S-1/S-0 minimal energy conical intersections (MECIs) are located, energy profiles indicated that only two of them are involved in excited-state decay processes and account for the C2 and C6 reaction coordinates, respectively. To reach both the involved MECIs, 9Me-6MeGua needs to surmount an energy barrier. The computed energy barrier of the C6 reaction coordinate is extremely low and should be responsible for the experimentally observed fast internal conversion (IC) process (similar to 0.95 ps), whereas the C2 reaction coordinate accounts for the slow IC process (similar to 41 ps). Eventually, we deliver a detailed mechanism for ultrafast deactivations of 6MeGuo, which explains well the recent experimental results [Ashwood, B.; et al. J. Phys. Chem. Lett. 2017, 8, 4380-4385] and revises the proposed mechanism. |
| WOS关键词 | INTRINSIC REACTION COORDINATE ; TIME-RESOLVED FLUORESCENCE ; O-6-METHYLGUANINE-DNA METHYLTRANSFERASE ; PROMOTER HYPERMETHYLATION ; NONRADIATIVE DECAY ; DYNAMICS ; CYTOSINE ; DNA ; 5-METHYLCYTOSINE ; MECHANISMS |
| 资助项目 | National Natural Science Foundation of China[21773238] ; National Natural Science Foundation of China[21503224] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000455560800027 |
| 出版者 | AMER CHEMICAL SOC |
| 资助机构 | National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/166230]  |
| 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 |
| 通讯作者 | Zhou, Panwang |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China 2.China Univ Petr, Sch Sci, Qingdao 266580, Shandong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhou, Panwang,Zhao, Li. How Does the O-6-Methylation Regulate the Excited-State Decay of Guanine Monomers[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2019,123(1):201-206. |
| APA | Zhou, Panwang,&Zhao, Li.(2019).How Does the O-6-Methylation Regulate the Excited-State Decay of Guanine Monomers.JOURNAL OF PHYSICAL CHEMISTRY B,123(1),201-206. |
| MLA | Zhou, Panwang,et al."How Does the O-6-Methylation Regulate the Excited-State Decay of Guanine Monomers".JOURNAL OF PHYSICAL CHEMISTRY B 123.1(2019):201-206. |
入库方式： OAI收割
来源：大连化学物理研究所
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