Examining van der Waals Dispersion Forces between Polarisable Functional Groups

检查可极化官能团之间的范德华色散力

• 批准号: 1796296
• 金额: --
• 依托单位: University of Edinburgh
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2016
• 资助国家: 英国
• 起止时间: 2016 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-1796296
• 关键词: Examining; van; der; Waals; Dispersion

The project seeks to understand aromatic stacking interactions that involve molecular contacts between large polarisable groups, and to incorporate their use into molecular machines. The project will use a combination of synthetic chemistry, and a physical organic chemistry approach that compares experimental and computed data to understand the strength of aromatic interactions and their ability to catalyse reactions. The understanding gained will be put into use by covalently modifying transmembrane protein pores with molecular-balance receptors capable of binding substrates and catalysing reactions via stacking interactions as they are translocated across the membrane. The key techniques employed will be organic synthesis, NMR spectroscopy, DFT and energy partitioning methods, bioconjugation reactions.

该项目旨在了解涉及大型可极化基团之间的分子接触的芳香堆积相互作用，并将其应用于分子机器。该项目将使用合成化学和物理有机化学方法的组合，比较实验和计算数据，以了解芳香族相互作用的强度及其催化反应的能力。所获得的理解将投入使用，通过共价修饰跨膜蛋白孔与分子平衡受体能够结合底物和催化反应，通过堆叠的相互作用，因为它们是跨膜易位。所采用的关键技术包括有机合成、核磁共振波谱、密度泛函和能量分配方法、生物共轭反应。

项目成果

The Energetic Significance of Metallophilic Interactions.

• DOI: 10.1002/anie.201904207
• 发表时间: 2019-08
• 期刊: Angewandte Chemie
• 作者: Qingshu Zheng;Stefan Borsley;G. Nichol;F. Duarte;S. Cockroft

An RNA-dependent mechanism for transient expression of bacterial translocation filaments.

• DOI: 10.1093/nar/gky096
• 发表时间: 2018-04-20
• 期刊: Nucleic acids research
• 影响因子: 14.9
• 作者: Wang D;McAteer SP;Wawszczyk AB;Russell CD;Tahoun A;Elmi A;Cockroft SL;Tollervey D;Granneman S;Tree JJ;Gally DL
• 通讯作者: Gally DL