Solvolysis Mechanisms of RNA Phosphodiester Analogues Promoted by Mononuclear Zinc(II) Complexes: Mechanisic Determination upon Solvent Medium and Ligand Effects
文献类型：期刊论文
| 作者 | Zhang, Xuepeng1; Zhu, Yajie1; Gao, Hui2; Zhao, Cunyuan1 |
| 刊名 | inorganic chemistry
 |
| 出版日期 | 2014-11-17 |
| 卷号 | 53期号:22页码:11903-11912 |
| 英文摘要 | the solvolysis mechanisms of rna phosphodiester model 2-(hydroxypropyl)-4-nitrophenyl phosphate (hppnp) catalyzed by mononuclear zinc(ii) complexes are investigated in the paper via a theoretical approach. the general-base-catalyzed (gbc) and specific-base-catalyzed (sbc) mechanisms are thoroughly discussed in the paper, and the calculations indicate a sbc mechanism (also named as the direct nucleophilic attack mechanism) when the cyclization of hppnp is promoted by the zn:[12]anen(3) complex ([12]anen(3) = 1,5,9-triazacyclododecane). the ligand effect is considered by involving two different catalysts, and the results show that the increasing size catalyst provides a lower energy barrier and a significant mechanistic preference to the sbc mechanism. the solvent medium effect is also explored, and reduced polarity/dielectric constant solvents, such as light alcohols methanol and ethanol, are more favorable. ethanol is proven to be a good solvent medium because of its low dielectric constant. the computational results are indicative of concerted pathways. our theoretical results are consistent with and well interpret the experimental observations and, more importantly, provide practical suggestions on the catalyst design and selection of reaction conditions. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, inorganic & nuclear |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | dinuclear zn(ii) complex ; activated phosphate diester ; metal-ions ; artificial metallonucleases ; cobalt(iii) complex ; functional-groups ; dna hydrolysis ; cleavage ; model ; reactivity |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000345264100010 |
| 源URL | [http://ir.giec.ac.cn/handle/344007/10774]  |
| 专题 | 中国科学院广州能源研究所 |
| 作者单位 | 1.Sun Yat Sen Univ, Sch Chem & Chem Engn, MOE Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China 2.Chinese Acad Sci, Guangzhou Inst Energy Convers, Key Lab Renewable Energy & Gas Hydrate, Guangzhou 510640, Guangdong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Xuepeng,Zhu, Yajie,Gao, Hui,et al. Solvolysis Mechanisms of RNA Phosphodiester Analogues Promoted by Mononuclear Zinc(II) Complexes: Mechanisic Determination upon Solvent Medium and Ligand Effects[J]. inorganic chemistry,2014,53(22):11903-11912. |
| APA | Zhang, Xuepeng,Zhu, Yajie,Gao, Hui,&Zhao, Cunyuan.(2014).Solvolysis Mechanisms of RNA Phosphodiester Analogues Promoted by Mononuclear Zinc(II) Complexes: Mechanisic Determination upon Solvent Medium and Ligand Effects.inorganic chemistry,53(22),11903-11912. |
| MLA | Zhang, Xuepeng,et al."Solvolysis Mechanisms of RNA Phosphodiester Analogues Promoted by Mononuclear Zinc(II) Complexes: Mechanisic Determination upon Solvent Medium and Ligand Effects".inorganic chemistry 53.22(2014):11903-11912. |
入库方式： OAI收割
来源：广州能源研究所
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