Acquisition of a 600 MHz NMR Spectrometer and Upgrade of Existing NMR Facilities at Rutgers University and at the University of Medicine and Dentistry of New Jersey

罗格斯大学和医学与牙科大学 (UMDNJ) 购置 600 MHz NMR 波谱仪，将现有瓦里安 VXR-500 升级为 UNITY Plus 500，将 XL-400 升级为 UNITY Plus 400，并为 UNITY 500 MHz NMR 波谱仪添加附件，对于这些地区的结构生物学界研究项目的成功执行至关重要。大学。 NMR 设备的主要用户是：罗格斯大学化学系的 Jean Baum 教授； Gaetano Montelione 教授，MBB，罗格斯大学，CABM； Roger Jones 教授，罗格斯大学化学系；以及史蒂芬·安德森 (Stephen Anderson) 教授，MBB、罗格斯大学和 CABM。此外，罗格斯大学和 UMDNJ 的许多教员正在或计划在其研究中独立或通过与主要用户合作使用高场 NMR。 博士的招聘。罗格斯大学的 Montelione 和 Baum 将多维核磁共振确定为校园的主要优先事项。两所大学的许多研究人员目前正在与这两个小组合作。此外，博士。 安德森和琼斯一直在利用高场核磁共振扩大他们自己的研究工作。因此，所有现有的 NMR 仪器都在持续使用（每天 24 小时，每周 7 天），并且由于仪器时间不足，其他研究人员无法开发独立的 NMR 程序。校园内缺乏 600 MHz 光谱仪以及现有设备的缺陷严重限制了较大（10 - 30 kD）蛋白质和复合物的研究工作。此外，用于招募鲍姆和蒙特利奥内的核磁共振仪器现已过时。化学系的 500 和 400 MHz 光谱仪缺乏三重共振和 PFG 功能，而这对于大分子的异核 NMR 至关重要。这些仪器均不具备利用随机氘化技术克服较大蛋白质中遇到的短 13C 弛豫率所需的氘解偶功能。 四大用户的 NMR 研究和研究培训需要约 40 名研究人员直接使用 NMR 仪器。此外，上面提到的独立用户还有大约 40 名研究生和博士后，他们正在做“动手”核磁共振实验。 NMR 设施还将通过合作者的研究项目，对罗格斯大学和 UMDNJ 的另外 40 名教师、学生和博士后的研究和教学产生重大影响。总共约 120 名科学家将受到拟议的 NMR 硬件升级和购买新 600 MHz NMR 波谱仪的影响。 NMR 设备的主要用户的研究活动是结构生物学，重点是以下领域。 1) 开发新的核磁共振实验，促进和自动化蛋白质结构测定过程； 2) 生物医学上重要的小蛋白质（大小范围从 7 到 30 kD）的结构测定； 3）变性或部分变性蛋白质的构象研究，以了解蛋白质折叠的机制； 4）原子细节和分子识别动力学； 5）核酸结构和相互作用的研究。此外，许多独立用户对有机和无机化合物的分析感兴趣。购买 600 MHz NMR 并对现有设施进行升级将极大改善罗格斯大学和 UMDNJ 的科学和工程基础设施。为了保持结构生物学领域不断发展的动态科学界的势头，核磁共振设施必须达到该领域的最前沿。

The acquisition of a 600 MHz NMR spectrometer, and the upgrade of the existing Varian VXR-500 to UNITY Plus 500, XL-400 to UNITY Plus 400 and the addition of accessories to the UNITY 500 MHz NMR spectrometers at Rutgers University, and at the University of Medicine and Dentistry (UMDNJ), are crucial for the successful execution of the research projects of the Structural Biology community at these universities. The major users of the NMR facility are: Prof. Jean Baum, Chemistry, Rutgers; Prof. Gaetano Montelione, MBB, Rutgers, and CABM; Prof. Roger Jones, Chemistry, Rutgers; and Prof. Stephen Anderson, MBB, Rutgers, and CABM. In addition, there are many Rutgers and UMDNJ faculty who are using, or planning on using, high field NMR in their research, either independently or via collaborations with the major users. The recruitment of Drs. Montelione and Baum to Rutgers University established multidimensional NMR as a major priority on campus. Numerous investigators at both universities are currently collaborating with these two groups. In addition, Drs. Anderson and Jones have been expanding their own research efforts using high field NMR. As a result, all of the existing NMR instruments are in constant use (24 hrs/day, 7 days/week), and the development of independent NMR programs by other investigators has been prevented because of insufficient instrument time. The lack of a 600 MHz spectrometer on the campus and deficiencies in the existing equipment severely limit research efforts with larger (10 - 30 kD) proteins and complexes. In addition, the NMR instruments used to recruit Baum and Montelione are now out of date. The 500 and 400 MHz spectrometers in the Chemistry Department lack triple-resonance and PFG capabilities which are essential for heteronuclear NMR of macromolecules. None of the instruments are equipped with deuterium decoupling capabilities required to exploit random deuteration techniques for overcoming short 13C relaxation rates encountered in larger proteins. The NMR research and research training of the four major users require direct access to NMR instrumentation for about 40 researchers. In addition, the independent users, mentioned above, have on the order of 40 graduate students and postdoctorals doing 'hands on' NMR experiments. The NMR facilities will also have a significant impact on research and teaching for some additional 40 faculty, students, and postdoctorals at Rutgers and UMDNJ through the research programs of collaborators. In total, approximately 120 scientists will be affected by the proposed NMR hardware upgrades and acquisition of a new 600 MHz NMR spectrometer. The research activities of the major users of the NMR facility are in structural biology with emphasis in the following areas. 1) development of new NMR experiments which facilitate and automate the protein structure determination process; 2) structure determination of small biomedically important proteins (sizes range from 7 to 30 kD); 3) conformational studies of denatured or partially denatured proteins to understand the mechanism of protein folding; 4) atomic details and dynamics of molecular recognition; 5) studies of nucleic acid structure and interactions. In addition, a number of independent users are interested in the analysis of organic and inorganic compounds. The acquisition of a 600 MHz NMR and the upgrades of the existing facility will greatly improve the scientific and engineering infrastructure of Rutgers and UMDNJ. In order to maintain the momentum of this developing dynamic scientific community in structural biology, the NMR facilities must be brought up to the cutting edge of the field.