CCD DETECTOR TO UPGRADE AN X-RAY DIFFRACTOMETER

要求拨款用新一代CCD探测器升级现有的单晶P4 x射线衍射仪。该仪器将通过促进抗病毒药物开发、放射性药物开发、有机金属试剂药物合成、环境良性催化和加工以及晶体工程等项目的关键分子或材料的表征，直接影响NIH资助的几个项目。具有有效抗病毒活性（艾滋病毒、乙型肝炎、呼吸道合胞病毒和流感）的大型复杂簇状化合物（多金属氧酸盐）和“绿色”处理的关键结构信息只能通过这种仪器获得。最近引入晶体学的一项新技术是将CCD探测器与调谐到钼和铜辐射的荧光粉耦合，提供的数据质量远远优于我们目前使用的20世纪70年代的技术。它将使我们能够通过可靠的密封管源获得更高质量的数据。钼辐射对于分析高吸收金属团簇和化合物至关重要，这些金属团簇和化合物在埃默里大学化学系和放射学系进行的许多合成化学研究中都很普遍。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精确的结构工具。聘请了一名工作人员晶体学家，利用内部资源管理该设施，并为合成无机、有机金属、有机和药物化学家提供结构数据。总之，所要求的升级不仅将大大提高埃默里大学化学系和医学院不同研究人员的生产力，而且还将大大提高科学质量。

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.