Isoguanine complexes: Quintet versus tetrad | |
Gu, JD![]() | |
刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
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2003-07-10 | |
卷号 | 107期号:27页码:6609-6613 |
ISSN号 | 1520-6106 |
DOI | 10.1021/jp022620n |
文献子类 | Article |
英文摘要 | Isoguanine (2-oxo-6-aminoguanine, isoG) quintet and its cation (Na+ and K+) complexes have been investigated by density functional theory (DFT) in order to understand the formation and stability of the high-order self-pairing of isoG systems. The comparison of the relative stability of the quintet with that of the tetrad indicates preferential formation of the isoG tetrad in the absence of metal ions. This preference is governed by the entropy of the system as revealed in this study. The large interaction energy evaluated for complexes of cations with the isoG quintet suggests that metal ions are crucial for regulating the strand association. This study also provides direct evidence for the orbital interaction between K+ and the surrounding oxygen atoms in the tetrad and quintet complexes. |
WOS关键词 | SELF-ASSEMBLED IONOPHORES ; DENSITY ; QUARTETS ; GUANINE ; OLIGONUCLEOTIDES ; ISOGUANOSINE ; ENERGIES ; DFT ; HF |
WOS研究方向 | Chemistry |
语种 | 英语 |
出版者 | AMER CHEMICAL SOC |
WOS记录号 | WOS:000183921300019 |
内容类型 | 期刊论文 |
源URL | [http://119.78.100.183/handle/2S10ELR8/274210] ![]() |
专题 | 新药研究国家重点实验室 中科院受体结构与功能重点实验室 |
通讯作者 | Leszczynski, J |
作者单位 | 1.Jackson State Univ, Dept Chem, Computat Ctr Mol Struct & Interact, Jackson, MS 39217 USA 2.Chinese Acad Sci, Drug Design & Discovery Ctr, State Key Lab Drug Res, Shanghai Inst Biol Sci, Shanghai 200031, Peoples R China |
推荐引用方式 GB/T 7714 | Gu, JD,Leszczynski, J. Isoguanine complexes: Quintet versus tetrad[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2003,107(27):6609-6613. |
APA | Gu, JD,&Leszczynski, J.(2003).Isoguanine complexes: Quintet versus tetrad.JOURNAL OF PHYSICAL CHEMISTRY B,107(27),6609-6613. |
MLA | Gu, JD,et al."Isoguanine complexes: Quintet versus tetrad".JOURNAL OF PHYSICAL CHEMISTRY B 107.27(2003):6609-6613. |
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