Hydrogen Bonding, Ionic Solvation, and Conformational Effects

通过这一续展奖项，有机和高分子化学项目继续支持加州大学圣地亚哥分校化学系查尔斯·L·佩林教授的工作。这项研究将继续PI对有机分子中氢键、酸度和溶剂化的研究。氢键是化学和生物化学中的一个主要主题，其中一个氢在两个电负性原子之间共享。拟议研究的一个主要目标是确定各种氢键的对称性。尽管对称氢键被认为参与了酶催化的反应，但很少有实验证据证明这一点。一种复杂的核磁共振技术，即同位素平衡微扰方法，将被用来寻找对称的氢键。核磁共振研究还将用于探索由于电子对相互作用和溶剂的能量学而产生的分子稳定性。这些研究有望对生物科学产生广泛的影响。特别是，它们将有助于我们了解影响DNA和蛋白质三维结构的因素。此外，这些实验将在分子间非共价相互作用这一日益重要的领域提供重要的基础知识。这项研究也将为学生提供有价值的培训。

With this renewal award, the Organic and Macromolecular Chemistry Program continues its support for the work of Professor Charles L. Perrin of the Department of Chemistry at the University of California at San Diego. The research will continue the PI's investigations of hydrogen bonding, acidity, and solvation in organic molecules. The hydrogen bond, in which a hydrogen is shared between two electronegative atoms, is a dominant motif in chemistry and biochemistry. A major objective of the proposed research is to determine the symmetry of a variety of hydrogen bonds. Although symmetric hydrogen bonds have been proposed to be involved in enzyme-catalyzed reactions, there is little experimental evidence for them. A sophisticated nuclear magnetic resonance (NMR) technique, the method of isotopic perturbation of equilibrium, will be used to search for symmetric hydrogen bonds. NMR investigations will also be used to probe molecular stabilizations resulting from the interactions of electron pairs and the energetics of solvation.These studies are expected to have broad impact upon the biological sciences. In particular, they will contribute to our knowledge of factors responsible for DNA and protein three-dimensional structure. In addition these experiments will provide significant basic knowledge in the increasingly important area of non-covalent interactions between molecules. The research will also provide valuable training for students.