Semi-Empirical Study of a pH-Switchable Rotaxane

机译：pH可转换轮烷的半实证研究

获取原文

获取原文并翻译 | 示例

页面导航

摘要
著录项
相似文献
相关主题

摘要

Semi-empirical (AM1) electronic structure calculations are reported on a pH-switchable rotaxane whose synthesis was reported in [Angew. Chem. Int. Ed., 36 (1997) 1904]. The rotaxane possesses two cationic binding sites, with different affinities toward dibenzo crown-8 (the ring component of the rotaxane) depending upon the pH of the system. The computational results capture this pH-sensitive bistability, the key device-like characteristic of the rotaxane.

机译：半经验（AM1）电子结构计算是在pH可切换轮烷中进行的，其合成在[Angew。化学诠释Ed。，36（1997）1904]。轮烷具有两个阳离子结合位点，根据系统的pH值，它们对二苯并冠8（轮烷的环组分）具有不同的亲和力。计算结果捕获了这种对pH敏感的双稳态性，这是轮烷的关键装置样特征。

著录项

来源
《Nano- and Microelectromechanical Systems (NEMS and MEMS) and Molecular Machines》|2002年|p.191-196|共6页
会议地点 Boston MA(US);Boston MA(US)
作者
Laura Frankfort; Karl Sohlberg;
展开▼
作者单位

Department of Chemistry, Drexel University 3141 Chestnut Street, Philadelphia, PA, 19104;

展开▼
会议组织
原文格式 PDF
正文语种 eng
中图分类无线电电子学、电信技术;
关键词

相似文献

外文文献
中文文献
专利

1. Semi-empirical Study of a pH-switchable [2] rotaxane [J] . Laura Frankfort, Karl Sohlberg Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2003,第3期

机译：pH可转换[2]轮烷的半实证研究
2. Thermal analysis and theoretical study of α-cyclodextrin azomethine [2]-rotaxane formation by semi-empirical method PM3 [J] . Farcas A., Fifere A., Stoica I., Chemical Physics Letters . 2011,第1a3期

机译：半经验方法PM3形成α-环糊精偶氮甲碱[2]-轮烷的热分析和理论研究
3. Semi-empirical study of a prototype rotaxane-based molecular shuttle [J] . Sohlberg K., Sumpter B.G. Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 1999,第1期

机译：基于轮烷的分子穿梭原型的半实证研究
4. Semi-empirical study of a pH-switchable 2 rotaxane [C] . Laura Frankfort, Karl Sohlberg Materials Research Society Symposium . 2003

机译：pH可切换的半实证研究2旋刀
5. Benzimidazole Based Anion Transporters: Incorporation of [2]Rotaxanes into Membrane Transport Studies. [D] . Anderi, Emilyn Rose. 2017

机译：苯并咪唑基阴离子转运蛋白：将[2]轮烷与膜转运研究结合起来。
6. Morphological and Semi-empirical Study of the Pluronic F68/Imogolite/SudanIII Intersurfaces Composite for the Controlled Temperature Releaseof Hydrophobic Drugs [O] . Vicente D. Samith, Sebastián Navarro, Reza Dabirian 2020

机译：Pluronic F68 / IMoGolite /苏丹的形态学和半实证研究III间隙复合用于受控温度释放疏水性药物
7. Optomagnetic studies of ph-switchable nanoparticle agglutination via triplex dna formation [O] . Minero Gabriel Khose Antonio, Fock Jeppe, McCaskill J.S., 2016

机译：通过三链体dna形成的ph-可切换纳米颗粒凝集的光磁研究

Semi-Empirical Study of a pH-Switchable Rotaxane

摘要

著录项

相似文献

相关主题

期刊订阅