CHEMICAL EXCHANGE BETWEEN CONFORMERS

符合者之间的化学交换

• 批准号: 8363965
• 负责人: ZHICHUN LIANG
• 金额: $ 1.42万
• 依托单位: CORNELL UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-09-01 至 2012-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8363965
• 关键词: Chemicals; Computer software; Frequencies; Funding; Grant; Modeling; Muramidase; National Center for Research Resources; Population; Positioning Attribute; Principal Investigator; Process; Research; Research Infrastructure; Resources; Site; Source; Spin Labels; Structure; Technology; Time; United States National Institutes of Health; conformer; cost; experience

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Dynamic exchange is being incorporated into the software for the Slowly Relaxing Local Structure (SRLS) model. This new dynamic process allows the nitroxide spin label to exchange positions between two or more sites where the spin label experiences different rotational rates and orderings. This project is motivated by our recent multifrequency study of T4 lysozyme dynamics where we have clearly differentiated two distinct conformers of the nitroxide tether. However, we previously were limited to considering the exchange to be static on the ESR time scale. Under this assumption it was found that different populations have to be employed to achieve acceptable spectral fits at different frequencies. We believe that this is a result of the different effective timescales of ESR at the different frequencies. Our new software will enable us to clarify these matters, and to obtain rates of conformational exchange.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的首席研究员可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 动态交换正在被纳入缓慢松弛局部结构 (SRLS) 模型的软件中。这种新的动态过程允许硝基氧自旋标签在两个或多个位点之间交换位置，其中自旋标签经历不同的旋转速率和排序。该项目的动机是我们最近对 T4 溶菌酶动力学进行的多频率研究，其中我们清楚地区分了硝基氧系链的两种不同的构象异构体。然而，我们之前仅限于将交换视为 ESR 时间尺度上的静态。在这种假设下，我们发现必须采用不同的群体才能在不同频率下实现可接受的频谱拟合。我们认为这是不同频率下 ESR 有效时间尺度不同的结果。 我们的新软件将使我们能够澄清这些问题，并获得构象交换率。