The switch of the binding behaviours between Xe and pi system induced by the change of oxidation state of Cu
文献类型：期刊论文
| 作者 | Miao, JJ; Gao, Y |
| 刊名 | MOLECULAR SIMULATION
 |
| 出版日期 | 2017 |
| 卷号 | 43期号:13-16页码:1256-1259 |
| 关键词 | Aromatic Rings Noncovalent Interactions Biological Recognition Hydrogen-bonds Xenon Complexes Mechanism Energies Strength Noble |
| ISSN号 | 0892-7022 |
| DOI | 10.1080/08927022.2017.1334884 |
| 文献子类 | 期刊论文 |
| 英文摘要 | The interaction between a xenon atom and aromatic pi electron system is generally of van der Waals force with a specifically weak strength. In this work, we suggest the introduction of Cu ion will highly affect the binding behaviour between the xenon and p systems. Once Cu2+ ion locates above the benzene ring, the binding is surprisingly strengthened to 11.98 kcal mol(-1) at CCSD(T)/CBS level, which is significantly stronger than average strength of the H-bonds in Watson-Crick guanine-cytosine base pair. If the Cu2+ is reduced to Cu+, the interaction of interest returns to the weak van der Waals interaction again. This phenomenon indicates the oxidation state shift of Cu ion could regulate the binding strength of Xe with p systems, which would be important for their potential biological functions. This study may provide a plausible understanding of the recent experimental observations of xenon anaesthesia. |
| WOS关键词 | AROMATIC RINGS ; NONCOVALENT INTERACTIONS ; BIOLOGICAL RECOGNITION ; HYDROGEN-BONDS ; XENON ; COMPLEXES ; MECHANISM ; ENERGIES ; STRENGTH ; NOBLE |
| 语种 | 英语 |
| WOS记录号 | WOS:000416672600035 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/28872]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Miao, JJ,Gao, Y. The switch of the binding behaviours between Xe and pi system induced by the change of oxidation state of Cu[J]. MOLECULAR SIMULATION,2017,43(13-16):1256-1259. |
| APA | Miao, JJ,&Gao, Y.(2017).The switch of the binding behaviours between Xe and pi system induced by the change of oxidation state of Cu.MOLECULAR SIMULATION,43(13-16),1256-1259. |
| MLA | Miao, JJ,et al."The switch of the binding behaviours between Xe and pi system induced by the change of oxidation state of Cu".MOLECULAR SIMULATION 43.13-16(2017):1256-1259. |
入库方式： OAI收割
来源：上海应用物理研究所
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