VIBRATIONS, STRUCTURE AND DYNAMICS OF BIOMACROMOLECULES

这个项目的总体长期目标是开发新的方法 用于分析生物大分子的结构和动力学 系统并使用这些方法提供对分子的洞察 这些系统的生物相关特性。这个 使用的主要技术是振动光谱学，而 要研究的主要系统是脂质双分子层和脂质相关的 模型系统。一种模拟红外和红外辐射的计算方法 一组无序链分子的拉曼光谱，如 存在于碳氢化合物中的一种脂质双层，会被 发展起来的。这种方法是最近开发的方法的扩展 在我们实验室对液态正构烷烃进行检测后，观察到 频谱，将大大扩展目前的适用范围 振动光谱学在诊断脂质双层结构中的应用。 另一种将被开发的新方法被设计用于研究 混合脂质双层凝胶中各组分的微聚集性 州政府。这种方法利用了红外晶体的能带分裂 并已在我们实验室用于研究 二元正构烷烃混合物中的微相分离可用于 测量1-100个分子的脂类结构域，其大小比IS小得多 任何当前可用的方法都可以访问。光谱模拟 方法和微聚集法将与 理论和其他实验技术相结合，研究分子 磷脂双层膜的结构和分子运动及其与脂质的关系 系统。

The general long-term goals of this project are to develop new methods for the analysis of the structure and dynamics of biomacromolecular systems and to use these methods to provide insight at the molecular level into biologically relevant properties of these systems. The principal technique to be used is vibrational spectroscopy, and the principal systems to be studied are lipid bilayers and lipid-related model systems. A computational method for simulating the infrared and Raman spectra of an assembly of disordered chain-molecules, such as exists in the hydrocarbon component of a lipid bilayer, will be developed. This method, which is an extension of that recently developed in our laboratory for liquid n-alkanes, after testing with observed spectra, will significantly extend the current range of applicability of vibrational spectroscopy to the diagnosis of lipid bilayer structure. Another new method to be developed is designed for the study of the microaggregation of the components in a mixed-lipid bilayer in its gel state. This method, which exploits crystal band-splitting in infrared spectra and which has already been used in our laboratory to study microphase segregation in binary n-alkane mixtures, can be used to measure lipid domains of 1-100 molecules, sizes much smaller than is accessible to any method currently available. The spectral simulation method and the microaggregation method will be used, in conjunction with theory and with other experimental techniques, to study molecular structure and molecular motion in phospholipid bilayers and lipid-related systems.