SOLUTION CONFORMATION VIA VIBRATIONAL OPTICAL ACTIVITY

以下拨款申请中建议的研究目的是 在建立新的光谱技术来探测溶液方面 具有生物学意义的分子结构。《光谱》 要开发的方法是振动光学活性(VOA)，一种 相对较新发现的光谱技术，它 结合振动光谱学和光学原理 活动。 用于观察两种实验方法的仪器 到VOA、红外振动圆二色谱(VCD)和拉曼光谱 光学活动(ROA)，已在申请人的 上一次资助期间的实验室。意想不到的困难 用ROA仪器已经克服了和ROA数据 现已成为常规服务。 光谱方面的努力已经集中，并将继续 中心，围绕着模拟生物分子的小分子 利息，以及其他系统的设计，使美国之音的起源 可以通过详细的振动分析来理解。 因此，合成和拆分小手性的努力 物种将会扩大。美国之音关于这些分子的数据将是 根据模型计算获得并解释，其中 目前正在进行中。 生物分子的模型，如肽片段和小分子 核苷酸聚合物，将被合成成构象 美国之音的敏感度可以建立起来。为了确定 某些振动的同一性，合成可能涉及 结合特定探针，其振动可 很容易观察到。 因此，拟议的研究代表了一种综合方法， 涉及仪器开发、光谱、合成和 理论上的努力，以增强现有的技术，以 推断生物大分子的溶液构象。

The research proposed in the following grant application is aimed at establishing novel spectroscopic techniques to probe solution structures of molecules of biological interest. The spectroscopic method to be exploited is Vibrational Optical Activity (VOA), a relatively recently discovered technique of spectroscopy, which combines principles of vibrational spectroscopy and optical activity. Instrumentation for the observation of both experimental approaches to VOA, infrared Vibrational Circular Dichroism (VCD) and Raman Optical Activity (ROA), has been constructed in the applicant's laboratory during the last grant period. Unexpected difficulties with the ROA instrumentation have been overcome and ROA data are now available routinely. The spectroscopic efforts have centered, and will continue to center, around small molecules which model molecules of biological interest, and other systems designed such that the origin of VOA may be understood in terms of a detailed vibrational analysis. Consequently, efforts to synthesize and resolve small chiral species will be expanded. VOA data on these molecules will be obtained and interpreted in terms of model calculations, which are presently underway. Models of biological molecules, such as peptide fragments and small nucleotide polymers, will be synthesized such that conformational sensitivity of VOA may be established. In order to determine the identity of certain vibrations, the syntheses may involve the incorporation of specific probes the vibrations of which may be observed easily. Thus, the proposed research represents an integrated approach, involving instrument development, spectroscopic, synthetic and theoretical efforts, to augment presently available techniques to deduce solution conformation of biomolecules.