CRIF:MU Establishment of a Cyber-Enabled Teaching/Research X-ray Diffraction Facility at The University of Texas at Austin

凭借化学研究仪器和设施：多用户计划（CRIF：MU）的这一奖项，德克萨斯大学奥斯汀分校（UTA）的化学和生物化学系将为分布在德克萨斯州，俄亥俄州和佛罗里达的七个机构的联盟购买一台主要用于教育/研究的标准CCD-X射线衍射仪和一台主要用于本科教育的微型衍射仪。网络使能将为不同的机构提供访问，因为这些仪器将被安置在德克萨斯大学奥斯汀分校。 衍射仪将用于各种研究项目，如1）合成和天然受体和催化剂的物理和生物有机化学，2）氧化物的电子和离子性质，3）配位和有机金属配合物及其相应配体的表征，4）抗体和酶工程，重点是开发更好的重组抗体或酶克隆和定向进化方法，5）d-和f-嵌段以及s-和p-嵌段元素的有机金属和配位化学中的结构和键合，6）阐明新的酶促反应的机制并设计控制和/或调节其功能的方法，7）天然产物，包括类黄酮、萜类化合物、甜菜色素、生物碱、植物抗毒素、植物雌激素、神经毒性非蛋白质氨基酸和抗病毒蛋白质，7）控制酸性气体、二氧化碳和空气毒物造成的空气污染，二氧化碳捕获，烟道气脱硫，酸性气体处理，化学反应的二氧化碳传质，电解质热力学和水溶液中的反应动力学，8）生物相关目标分子的有机多步合成，9）集中于Ruddlesden-Poper相合成的研究，10）聚合物，用于微电子学、光敏电阻器、液晶、计算机模拟、质量传输研究、动力学、接枝聚合、生物传感器阵列、用于生产纳米尺度结构的新工艺的材料和工艺。单晶X射线晶体学技术允许准确和精确地确定分子的完整三维结构，包括键距和角度，并且它提供了关于分子相对于相邻分子的空间排列的精确信息。这些研究将对从合成化学到生物系统和环境清洁等许多领域产生影响。

With this award from the Chemistry Research Instrumentation and Facilities: Multi User program (CRIF:MU), the Department of Chemistry and Biochemistry at the University of Texas-Austin (UTA) will acquire a standard CCD-X-ray diffractometers to be used primarily for education/research and a minidiffractometer primarily for undergraduate education for a consortium of seven institutions distributed over Texas, Ohio and Florida. Cyber enabling will provide access by the diverse institutions as the instruments will be housed at the University of Texas-Austin. The diffractometers will be utilized in various research projects such as 1) physical and bioorganic chemistry of synthetic and natural receptors and catalysts, 2) electronic and ionic properties of oxides, 3) characterization of coordination and organometallic complexes and corresponding ligands, 4) antibody and enzyme engineering with an emphasis on developing better methods for recombinant antibody or enzyme cloning and directed evolution, 5) structure and bonding in the organometallic and coordination chemistry of both d- and f-block and s- and p block elements, 6) elucidation of the mechanisms of novel enzymatic reactions and the design of methods to control and/or regulate their functions, 7) natural products including flavonoids, terpenoids, betalains, alkaloids, phytoalexins, phytoestrogens, neurotoxic nonprotein amino acids, and antiviral proteins, 7) control of air pollution by acid gases, carbon dioxide, and air toxics, carbon dioxide capture, flue gas desulfurization, acid gas treating, carbon dioxide mass transfer with chemical reaction, electrolyte thermodynamics, and reaction kinetics in aqueous solutions, 8) organic multistep synthesis of biologically relevant target molecules, 9) research concentrated on the synthesis of Ruddlesden-Poper phases, 10) polymers, materials, and processes for microelectronics, photoresistors, liquid crystals, computer simulation, mass transport studies, kinetics, graft polymerization, biosensor arrays, novel processes for producing nanometer scale structures.The technique of single-crystal X-ray crystallography allows accurate and precise determination of the full three dimensional structure of a molecule, including bond distances and angles, and it provides accurate information about the spatial arrangement of molecules relative to the neighboring molecules. These studies will have an impact in a number of areas ranging from synthetic chemistry to systems of biological interest and cleaning of the environment.