Cyclophanes to Study Principles of Molecular Recognition in Aqueous Solutions

在有机动力学计划的这个项目中，Francois N. Diederich教授将在加州大学洛杉矶分校（UCLA）化学系研究“环烷研究水溶液中的分子识别原理”。分子识别是研究在两种或多种化学物质之间形成的设计的多分子实体和组合，并通过分子间的力（非共价键）结合在一起。这个迷人而充满活力的研究领域被世界公认为化学领域重要的知识和技术前沿。这些研究将为新宿主的设计提供指导，并对生物分子的工作原理产生新的见解。这一信息对于那些有意设计新的受体来选择性地去除废水或人体体液中的有毒分子的科学家来说尤其有价值。本研究涉及综合合成、物理有机和计算方法来解释水溶液中的极性络合。水的作用将在水和有机溶液的比较研究中定义。对于这些研究，具有极性结合腔的独特环烷受体系列已经可用，其他的将准备达到特定的目标。滴定微量热法被用于精确测定水和有机溶液中极性络合过程的一整套热力学量。氢-氘同位素、盐和对极性缔合的缓冲作用也在研究中。

In this project in the Organic Dynamics Program, Professor Francois N. Diederich will investigate "Cyclophanes to Study Principles of Molecular Recognition in Aqueous Solutions" in the Chemistry Department at the University of California, Los Angeles (UCLA). Molecular recognition is the study of designed polymolecular entities and assemblies formed between two or more chemical species and held together by intermolecular forces, the noncovalent bond. This fascinating and dynamic research area is recognized worldwide as an important intellectual and technological frontier in chemistry. These studies will lead to guidelines for the design of new hosts and to new insight into the workings of biological molecules. This information is especially valuable for those scientists interested in designing new receptors to selectively remove toxic molecules from waste waters or bodily fluids in humans. This study involves a comprehensive synthetic, physical organic, and computational approach to explain apolar complexation in aqueous solutions. The role of water will be defined in comparative investigations in aqueous and organic solutions. For these studies, a unique series of cyclophane receptors with apolar binding cavities is already available, and others will be prepared to reach specific objectives. Titration microcalorimetry is being used for accurate determination of the complete set of thermodynamic quantities for apolar complexation processes in aqueous and organic solutions. Hydrogen-deuterium isotope, salt, and buffer effects on apolar association are also being studied.