JOINT PROJECT ON DEVELOPING 95GHZ PULSED-KW ESR

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 圣安德鲁斯大学在高场EPR方面有一个强大的仪器项目，最近的重点是开发一个具有极低死区时间的94 GHz高功率kW脉冲系统，这肯定部分受到ACERT以前大部分工作的启发。 仪器是在英国一项主要的基础技术计划资助下开发的（260万英镑），该计划还包括一个主要的方法/应用程序，重点是现场定向自旋标记，也使用商业X和Q波段仪器。94 GHz脉冲频谱仪现在已经有大约15个博士后的硬件和软件开发年，是一个灵活的和相对容易使用的仪器。 康奈尔大学和圣安德鲁斯大学是目前世界上仅有的两个拥有脉冲EPR仪器的研究小组，这些仪器在高磁场下以高功率（kW）运行。而且，这些都是昂贵的计划，需要主要的技术和开发工作，以开发灵活的仪器，其中小的设计决策或方法的变化可能会对实际使用和性能产生重大影响。康奈尔大学和圣安德鲁斯大学之间的博士后交流项目即将启动。这种交流将侧重于以下主题： 1)不同光谱仪、不同频率和不同脉冲EPR方法之间的比较灵敏度测量，例如，用于长距离测量的双量子和PELDOR测量的比较 2)交流关于高场仪器开发和 针对不同应用优化谐振器和样品架 3)评估和优化样品制备的最佳实践，例如通过TM对蛋白质氘化的显著影响  与溶剂氘化相反 4)评估新的脉冲方法，例如使用复合脉冲或绝热脉冲  我们最近取得了一些成功。 5)使用和开发计算机建模软件包，例如用于定向选择PELDOR或运动研究。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. St Andrews has a strong instrumentation program in high field EPR, where much of the recent emphasis has been on the development of a high power kW pulse system at 94 GHz with very low deadtime, that was certainly partly inspired by much of the previous work at ACERT. Instrumentation was developed under a major UK Basic Technology program grant (¿2.6M) that also incorporated a major methodology/applications program with a focus on site-directed spin labelling that also used commercial X and Q-band instrumentation. The 94 GHz pulse spectrometer has now had circa 15 postdoc man years of hardware and software development and is a flexible and relatively easy to use instrument. Cornell and St Andrews are currently the only two groups in the world with pulse EPR instrumentation that operates at high (kW) powers at high fields. And, these are expensive programs, requiring major technical and developmental effort to develop flexible instrumentation, where small design decisions or changes in methodology can have major effects on practical usage and performance. A postdoctoral exchange program between Cornell and St Andrews is to be initiated. Such an exchange will focus on the following themes: 1) Comparative sensitivity measurements across different spectrometers, different frequencies and different pulse EPR methodologies e.g. comparison of double quantum and PELDOR measurements for long-range distance measurements 2) Exchange of ideas regarding high field instrument development and optimization of resonators and sample holders for different applications 3) Evaluation and optimization of best practice of sample preparation e.g. via the dramatic effect on TM on protein deuteration  as opposed to solvent deuteration 4) Evaluation of new pulse methodologies e.g. using composite pulses or adiabatic pulses  for which we have had some recent success. 5) Use and development of computer modelling packages e.g. for orientation selective PELDOR or motional studies.