Chiral NMR Shift Reagents

该项目由托马斯J. Wenzel博士和贝茨学院的本科生进行，得到了分析和表面化学课程的支持。该研究是NSF本科院校研究（RUI）计划的一部分，开发并利用手性NMR位移试剂的组合来解析对映体底物的混合物。 移位试剂的手性组分包括杯芳烃、杯间苯二酚、冠醚、环糊精和氨基酸衍生物。顺磁性镧系元素离子与手性溶剂化剂偶联以在NMR应用中实现改进的对映体拆分。 来自2D NMR、计算、X射线晶体学和镧系元素位移和弛豫研究的信息用于确定导致对映体区分的机制是否足够具体以允许分配绝对构型。 随着新药物的快速开发，用于光学异构体的区分的改进技术变得越来越重要。这项研究开发了改善这种分化的技术。 因此，它将有助于确保许多新药的有效性和安全性。

This project, conducted by Dr. Thomas J. Wenzel and undergraduate students at Bates College, is supported in the Analytical and Surface Chemistry program. The research, which is a part of NSF's Research in Undergraduate Institutions (RUI) initiative, develops and utilizes combinations of chiral NMR shift reagents to resolve mixtures of enantiomeric substrates. The chiral component of the shift reagents includes calixarenes, calixresorcarenes, crown ethers, cyclodexrins and amino acid derivatives. Paramagnetic lanthanide ions are coupled to the chiral solvating agents to achieve improved enantiomeric resolution in NMR applications. Information from 2D NMR, computational, x-ray crystallographic, and lanthanide shift and relaxation studies are used to determine if the mechanism that leads to enantiodistinction is specific enough to allow absolute configurations to be assigned. As new pharmaceuticals are being more quickly developed, improved techniques for differentiation of optical isomers become increasingly important . This research develops techniques to improve such differentiation. As a result it will help assure the efficacy and safety of many new pharmaceuticals.