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

购置600兆赫核磁共振仪，将现有的瓦里安VXR-500升级到unity Plus 500，将XL-400升级到unity Plus 400，并在罗格斯大学和医学与牙科大学(UMDNJ)的unity 500 MHz核磁共振仪上增加附件，对于这些大学结构生物学研究项目的成功实施至关重要。核磁共振设施的主要用户是：罗格斯大学化学学院的Jean Baum教授；罗格斯大学化学学院的Gaetano Montelione教授；罗格斯大学化学学院的罗杰·琼斯教授；以及罗格斯大学化学学院的斯蒂芬·安德森教授。此外，许多罗格斯大学和UMDNJ大学的教职员工正在或计划在他们的研究中使用高场核磁共振，要么独立使用，要么通过与主要用户的合作。蒙泰龙博士和鲍姆博士被罗格斯大学录取，使多维核磁共振成为校园里的主要优先事项。这两所大学的许多研究人员目前都在与这两个小组合作。此外，安德森博士和琼斯博士一直在利用高场核磁共振扩大他们自己的研究努力。因此，所有现有的核磁共振仪器都在持续使用(24小时/天，7天/周)，由于仪器时间不足，其他研究人员开发独立的核磁共振程序受到了阻碍。校园里缺乏一台600兆赫的光谱仪，现有设备的不足严重限制了对更大(10-30 kD)蛋白质和复合体的研究努力。此外，用于招募Baum和Montelione的核磁共振仪器现在已经过时。化学系的500 MHz和400 MHz光谱仪缺乏三重共振和PFG能力，这是大分子异核核磁共振所必需的。这些仪器中没有一台配备了利用随机氚技术来克服较大蛋白质中遇到的较短的13C驰豫速率所需的去氚能力。四个主要用户的核磁共振研究和研究培训需要约40名研究人员直接接触核磁共振仪器。此外，上面提到的独立用户大约有40名研究生和博士后在做‘动手’核磁共振实验。核磁共振设施还将通过合作者的研究计划对罗格斯大学和UMDNJ大学约40名教职员工、学生和博士后的研究和教学产生重大影响。总体而言，大约120名科学家将受到拟议的核磁共振硬件升级和购买新的600 MHz核磁共振光谱仪的影响。核磁共振设施的主要用户的研究活动是结构生物学，重点是以下领域。1)发展新的核磁共振实验，以方便和自动化蛋白质结构确定过程；2)对具有生物医学意义的小蛋白质(大小从7到30 kD)进行结构测定；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)分子识别的原子细节和动力学；5)核酸结构和相互作用的研究。此外，一些独立用户对有机和无机化合物的分析感兴趣。购买600兆赫核磁共振和升级现有设施将极大地改善罗格斯大学和UMDNJ的科学和工程基础设施。为了保持这一发展中充满活力的结构生物学科学界的势头，核磁共振设备必须走在该领域的前沿。

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.