The aim of this grant application is to purchase a state-of-the-art 600 MHz NMR system equipped with a shielded magnet. It will greatly expand and modernize the campus Nuclear Magnetic Resonance (NMR) Laboratory housed in the Department of Chemistry and Biochemistry. Currently, the department has two NMR spectrometers - a 500 MHz instrument (NSF/NIH funded, 1995) and a 250 MHz instrument (FIMA funded, 1990). Obtaining high quality NMR data is a daily exercise in the research programs of the seven NIH grantees involved in this application. Their programs are investigating research topics that are of tremendous biomedical significance. The current and future initiatives will play a pivotal role in new discoveries that have many broader implications. We believe that the equipment proposed herein will also be an important tool for enhancing our teaching and research. There will be five major and four minor users of the proposed equipment. Two major users (Millhauser and Rohl) are probing the role of protein signaling and folding, which depend on proposed instrument. Three other major users (Crews, Konopelski, and Lokey) depend on the rapid characterization of complex bioorganic compound mixtures. The research of four other minor users involves: radical reagents (Braslau), new chiral synthesis tools (Singaram), metal ions in metalloenzymes and therapeutics (Mascharak), dynamics of active site iron in lipoxygenases (Holman). We propose to obtain a 600 MHz narrow bore NMR spectrometer and there are three companies manufacturing NMR systems operating at 14.1 T including the Bruker ADVANCE-ICE with an Ultrashield 600 Magnet, the JEOL ECA-600, and the Varian Unity Inova 600.These include (a) Magnet, (b) Console, (c) Pulse filed gradients, (d) Wave Form Generators, (e) Probes (with four probes as follows: (i) 1H{13C/X} PFG Tunable Triple Resonance with capabilities for single irradiation of 13C and X frequencies tunable from 15N to 31P; (ii) 1H{15N-31P} PFG indirect detect, the probe of choice for indirect detection of small and large biomolecules; (iii) 1H-19F/15N-31P 3mm PFG Dual Broadband, a probe useful for single resonance studies of sample limited compounds. (iv) A cryo cooled triple resonance probe for maximum sensitivity will be the 1H{13C/15N} 5mm PFG Triple), and (f) a Protasis Corporation CapNMR micro flow probe. The addition of a state-of-the-art 600 MHz instrument will greatly expand the range of experiments including essential capabilities such as those outlined in the research descriptions presented in the proposal. The instrument and its complement of probes will be essential for maintaining modern research with competitive throughput and the training of our students in a modern research environment.
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