CCD DETECTOR TO UPGRADE AN X-RAY DIFFRACTOMETER

请求提供资金，用新一代电荷耦合器件探测器升级现有的P4单晶X射线衍射仪。该仪器将直接和立即影响几个NIH资助的项目，通过促进抗病毒药物开发，放射性药物开发，通过有机金属试剂的药物合成，环境友好的催化和加工以及晶体工程的关键分子或材料的表征。具有强效抗病毒活性（HIV、乙型肝炎B、呼吸道合胞病毒和流感病毒）和“绿色”处理的大型复杂簇合物（聚氧乙烯酸盐）的关键结构信息只能通过此类仪器获得。最近引入晶体学的新技术将CCD检测器与调谐到钼和铜辐射的荧光粉耦合，提供的数据质量远优于我们目前使用的20世纪70年代技术的上级。 它将使我们能够获得更好的质量数据与可靠的密封管源。钼辐射对于分析在埃默里大学化学系和放射学系进行的大部分合成化学研究中普遍存在的高吸收金属簇和化合物至关重要。CCD探测器将使数据收集更加迅速，使我们能够将晶体学作为合成化学家的常规但高度准确的结构工具。已聘请了一名员工晶体学家使用内部资源来管理该设施，并为合成无机，有机金属，有机和药物化学家的不同群体提供结构数据。总之，所要求的升级不仅将大大提高生产力，而且将大大提高埃默里大学化学系和医学院各种研究人员的科学质量。

Funds are requested to upgrade an existing single crystal P4 X-ray diffractometer with a new generation CCD detector. This instrument will directly and immediately impact several NIH funded programs by facilitating characterization of key molecules or materials central to programs in antiviral agent development, radiopharmaceutical agent development, pharmaceutical synthesis via organometallic reagents, environmentally benign catalysis and processing, and crystal engineering. Critical structural information on large complex cluster compounds (polyoxometalates) with potent antivira1 activity (HIV, hepatitis B, respiratory syncytial virus, and influenza) and "green" processing can only be acquired through such instrumentation. The new technology recently introduced to crystallography by the coupling of a CCD detector to phosphors tuned to molybdenum and copper radiation affords data of quality far superior to the 1970's technology that we currently use. It will allow us to obtain better quality data with a reliable sealed tube source. Molybdenum radiation is essential for analysis of highly absorbing metal clusters and compounds that are prevalent in much of the synthetic chemical research conducted in the Chemistry Department and Department of Radiology at Emory University. The CCD detector will make data collection more rapid, allowing us to trot crystallography as a routine, but highly accurate, structural tool for synthetic chemists. A Staff Crystallographer has been hired using internal resources to manage the facility and provide structural data for a diverse group of synthetic inorganic, organometallic, organic, and pharmaceutical chemists. In summary- the requested upgrade will greatly enhance not only the productivity but also the quality of science of a diverse group of researchers in the Chemistry Department and School of Medicine at Emory University.