Acquisition of a 500 MHz NMR Spectrometer and Establishment of the Mississippi Resonance Facility

学术研究基础设施项目的这一奖项将帮助密西西比州立大学化学系获得一台500 MHz光谱仪，用于研究。将得到支持的研究活动包括对维生素B12的衍生物在溶液中的构象的核磁共振研究，结合到维生素B12结合蛋白，以及结合到需要酶的辅酶B12。此外，谷氨酰胺环化转移酶催化活性片段(5-10 kDa)在有无酶抑制剂存在时的溶液构象、叶绿体水分的分布以及环境参数对叶绿体渗透调节的影响也有待研究；用~1H、~(13)C、~(17)O和~(19)F核磁共振谱研究了羧酸、氨基甲酸锡、N-烷基甲酰胺、烷基硫代甲酸酯、N-叔丁基硝胺和N-叔丁基甲酰胺、氯代七氟二氮杂二阴离子、顺式和反式环癸烯的构象和互变异构平衡；苯胺吖啶类化合物可逆结合的几何构型和动力学以及光亲和探针的共价结合几何构型；49个氨基酸残基神经肽促肾上腺皮质激素释放因子的溶液结构及其构象变化。核磁共振波谱是化学家用来解释分子结构的最有力的工具。它被用来识别未知物质，表征分子内原子的特定排列，并研究溶液中分子之间相互作用的动力学。对于正在进行前沿研究的化学家来说，获得最先进的核磁共振光谱是必不可少的。这些核磁共振研究的结果在聚合物和催化等领域以及生物学中都是有用的。

This award from the Academic Research Infrastructure Program will help the Department of Chemistry at Mississippi State University acquire a 500 MHz spectrometer which will be used in research. The research activity to be supported includes NMR studies of the conformation of derivatives of vitamin B12 in solution, bound to a vitamin B12 binding protein, and bound to a coenzyme B12 requiring enzyme. Also to be studied are the solution conformation of catalytically active fragments (5-10 kDa) of the enzyme glutamine cyclotransferase in the presence and absence of enzyme inhibitors; the distribution of leaf chloroplast water and the effects of environmental parameters on leaf chloroplast osmoregulation; conformation and tautomeric equilibria in carboxylic acids, tin carbamates, N-alkyl formamides, alkyl thioformates, alkyl thionitriles, N-tert-butylnitramine and N-tert-butylformamide; chloroheptafluorodirhenium dianion; cis-and trans-cyclodecene by 1H, 13C, 17O, and 19F NMR spectroscopy; the geometry and dynamics of the reversible binding of anilinoacridines and the geometry of the covalent binding of photo affinity probes; and the solution structure of the 49 amino acid residue neuropeptide, corticotropin-releasing factor and the conformational changes thereof. %%% Nuclear Magnetic Resonance (NMR) spectroscopy is the most powerful tool available to chemists for the elucidation of the structure of molecules. It is used to identify unknown substances, characterize specific arrangements of atoms within molecules, and to study the dynamics of interactions between molecules in solution. Access to state-of-the-art NMR spectrometry is essential to chemists who are carrying out frontier research. The results from these NMR studies are useful in areas such as polymers and catalysis, and in biology.