GIEC OpenIR  > 中国科学院广州能源研究所
Solvolysis Mechanisms of RNA Phosphodiester Analogues Promoted by Mononuclear Zinc(II) Complexes: Mechanisic Determination upon Solvent Medium and Ligand Effects
Zhang, Xuepeng1; Zhu, Yajie1; Gao, Hui2; Zhao, Cunyuan1
2014-11-17
Source PublicationINORGANIC CHEMISTRY
Volume53Issue:22Pages:11903-11912
AbstractThe 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.
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1021/ic501084a
WOS Subject ExtendedChemistry
WOS KeywordDINUCLEAR ZN(II) COMPLEX ; ACTIVATED PHOSPHATE DIESTER ; METAL-IONS ; ARTIFICIAL METALLONUCLEASES ; COBALT(III) COMPLEX ; FUNCTIONAL-GROUPS ; DNA HYDROLYSIS ; CLEAVAGE ; MODEL ; REACTIVITY
Indexed BySCI
Language英语
WOS SubjectChemistry, Inorganic & Nuclear
WOS IDWOS:000345264100010
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/10774
Collection中国科学院广州能源研究所
Affiliation1.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
Recommended Citation
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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, Xuepeng]'s Articles
[Zhu, Yajie]'s Articles
[Gao, Hui]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, Xuepeng]'s Articles
[Zhu, Yajie]'s Articles
[Gao, Hui]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, Xuepeng]'s Articles
[Zhu, Yajie]'s Articles
[Gao, Hui]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.