FEMTOSECOND INFRARED MEASUREMENTS OF PROTEIN DYNAMICS & SPECTRAL DIFFUSION

蛋白质动力学的飞秒红外测量

• 批准号: 6480820
• 负责人: ROBIN Main HOCHSTRASSER
• 金额: $ 15.58万
• 依托单位: UNIVERSITY OF PENNSYLVANIA
• 依托单位国家: 美国
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-08-01 至 2002-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6480820
• 关键词: biomedical equipment development; biomedical resource; cardiovascular system; proteins; respiratory system; technology /technique

Infrared methods with appropriate time resolution have been developed to measure (i) The overall protein rotation, based on intrinsic probes; (ii) the motion of the chromophore as a whole relative to the protein; (iii) the orientational motion of the particular IR active bond; (iv) both the order parameters and time constants for these motions; (v) correlations between infrared absorptions and chromophore absorptions; (vi) correlations between different IR transitions of the same species (e.g. amino acid); (vii) probing the Amide-I substructure by dynamic holeburning and (viii) infrared photon echo measurements. The RLBL has proved the principle of an important experiment aimed at using molecular vibrational transitions to study molecular reorientation. The basic idea is to excite a bond vibration with a polarized IR pulse and probe it with another polarized IR pulse at a later time. The ensemble average of the projection of the initial dipole onto itself at later time is the orientational correlation function of the bond. A principal result of molecular dynamics simulations are these functions. The experimental plan involves the construction of an IR pump/IR probe device capable of accessing vibrations of the protein backbone and the residues. We are perfecting this technique which will have significant implications on understanding the detailed vibrational spectra of proteins and enlarging the time range within which molecular dynamics and environmental fluctuations can be evaluated.

具有适当时间分辨率的红外方法已被 开发用于测量（i）总体蛋白质旋转，基于 内在探针;（ii）作为一个整体的发色团的运动 （iii）相对于蛋白质的定向运动; 特定的IR活性键;（iv）顺序参数和时间 这些运动的常数;（五）红外之间的相关性 （vi）与非离子表面活性剂的相互关系; 相同物质（例如氨基酸）的不同IR跃迁;（vii） 通过动态烧孔探测酰胺-I亚结构，以及（viii） 红外光子回波测量。 RLBL已经证明了这个原理 一个重要的实验旨在利用分子振动 来研究分子的重新定向。 其基本思想是 用偏振IR脉冲激发键振动，并用 另一个偏振红外脉冲。 的总体平均 初始偶极子在稍后的时间在其自身上的投影是 键的取向相关函数。 的主要结果 分子动力学模拟就是这些功能。 实验 该计划涉及建造一个红外泵/红外探头设备， 蛋白质骨架和残基的振动。 我们 正在完善这项技术， 了解蛋白质的详细振动光谱， 扩大了分子动力学和 可以评估环境波动。