Vibrational Spectral Studies

范德比尔特大学的普拉萨德·波拉瓦拉普得到了 实验物理化学计划和办公室 多学科活动，以（一）开发步进扫描偏振 双偏振调制数字分割干涉仪 信号处理能力，以及（ii）使用该仪器 研究蛋白质-麻醉剂相互作用和主-客体相互作用 包封在环糊精空腔中的致癌物质。 对映体 手性分子在它们作为麻醉剂的有效性方面显示出差异。 为了更好地理解分子中的立体特异性相互作用， 水平，PI将研究手性化合物的绝对构型。 对映异构体和麻醉剂分子 存在. 为了阐明宾主互动，一系列替代的 环氧乙烷将作为捕获在环糊精空腔中的客体分子。 同位素替代将被用来隔离光谱带， 对客体分子，并确定所施加的扰动， 主持人 PI将探测手性分子的振动跃迁 使用圆偏振光。 这些研究在以下领域具有极其重要的意义： 药物设计，其中对映体的有效性差异可以 相当戏剧化。 例如，一种臭名昭著的药物的对映体， 沙利度胺，已知是一种镇静剂，而另一种引起严重的 出生缺陷 为什么两个结构几乎相同的分子 对人体有如此完全不同的影响， 清楚 这是基础化学，其结果将有一个 在生物技术领域产生重大影响。

Prasad Polavarapu of Vanderbilt University is supported by the Experimental Physical Chemistry Program and the Office of Multidisciplinary Activities to (i) develop a step-scan polarization division interferometer with double polarization modulation and digital signal processing capabilities, and (ii) use this instrument to investigate protein-anesthetic interactions and host-guest interactions for carcinogens encapsulated in cyclodextrin cavities. Enantiomers of chiral molecules show differences in their effectiveness as anesthetics. To better understand the stereospecific interactions at the molecular level, the PI will study the absolute configurations of chiral enantiomers and the conformations in which the anesthetic molecules exist. For elucidating guest-host interactions, a series of substituted oxiranes will serve as guest molecules trapped in cyclodextrin cavities. Isotopic substitution will be exploited to isolate the spectral bands due to the guest molecule, and to determine the perturbations imposed by the host. The PI will probe the vibrational transitions of chiral molecules using circularly polarized light. These studies have tremendously important implications in the area of drug design, where differences in the effectiveness of enantiomers can be quite dramatic. For example, one enantiomer of the infamous drug, thalidomide, is known to be a sedative while the other causes severe birth defects. Why two molecules of `nearly` identical structure could have such completely different effects on the human body is not at all clear. This is fundamental chemistry, the results of which will have a significant impact in the area of biotechnology.