This proposal outlines investigation of proteins and model systems with three innovative magnetic resonance techniques: high frequency dynamic nuclear polarization (DNP), time domain 140 GHz electron paramagnetic resonance (EPR), and electron nuclear double resonance (ENDOR). The research plan is divided into four Specific Aims: (1) Development of CW and Pulsed DNP methods involving high Ble fields, the CROSS-effect, and electron-nuclear cross polarization. (2) Applications of DNP to biological problems include studies of alpha-spectrin SH3 crystals, oriented bacteriorhodopsin and Pfl bacteriophage, amyloid fibrils, and O-17 MQMAS. Each of these projects involves an area of magnetic resonance where the enhanced signal intensities available with DNP could have a significant impact. (3) Investigations of pulsed EPR and ENDOR investigations for four different systems: (a) the """"""""3- minute"""""""" radical observed in the E441Q mutant of ribonucleotide reductase (RNR); (b) a model for the X-intermediate formed on combining Fe and apoRNR, and the X-intermediate in the protein itself; (c) the tyrosyl radical in RNR from yeast; (d) study of a difluorinated inhibitor of RNR, gemcitabine, with both Class I and Class II RNR's. (4) Development of advanced pulsed EPR/ENDOR at 140 GHz. These include TRIPLE, TRAPS, DEER and MQENDOR with the goal of enhancing the versatility and resolution of methods available to examine protein free radicals.
| Ji, X; Can, T V; Mentink-Vigier, F et al. (2018) Overhauser effects in non-conducting solids at 1.2?K. J Magn Reson 286:138-142 |
| Wittmann, J J; Can, T V; Eckardt, M et al. (2018) High-precision measurement of the electron spin g factor of trapped atomic nitrogen in the endohedral fullerene N@C60. J Magn Reson 290:12-17 |
| Frederick, Kendra K; Michaelis, Vladimir K; Caporini, Marc A et al. (2017) Combining DNP NMR with segmental and specific labeling to study a yeast prion protein strain that is not parallel in-register. Proc Natl Acad Sci U S A 114:3642-3647 |
| Can, Thach V; Weber, Ralph T; Walish, Joseph J et al. (2017) Frequency-Swept Integrated Solid Effect. Angew Chem Int Ed Engl 56:6744-6748 |
| Jain, Sheetal K; Mathies, Guinevere; Griffin, Robert G (2017) Off-resonance NOVEL. J Chem Phys 147:164201 |
| Ni, Qing Zhe; Yang, Fengyuan; Can, Thach V et al. (2017) In Situ Characterization of Pharmaceutical Formulations by Dynamic Nuclear Polarization Enhanced MAS NMR. J Phys Chem B 121:8132-8141 |
| Ni, Qing Zhe; Markhasin, Evgeny; Can, Thach V et al. (2017) Peptide and Protein Dynamics and Low-Temperature/DNP Magic Angle Spinning NMR. J Phys Chem B 121:4997-5006 |
| Kaushik, Monu; Bahrenberg, Thorsten; Can, Thach V et al. (2016) Gd(iii) and Mn(ii) complexes for dynamic nuclear polarization: small molecular chelate polarizing agents and applications with site-directed spin labeling of proteins. Phys Chem Chem Phys 18:27205-27218 |
| Mathies, Guinevere; Jain, Sheetal; Reese, Marcel et al. (2016) Pulsed Dynamic Nuclear Polarization with Trityl Radicals. J Phys Chem Lett 7:111-6 |
| Colvin, Michael T; Silvers, Robert; Ni, Qing Zhe et al. (2016) Atomic Resolution Structure of Monomorphic A?42 Amyloid Fibrils. J Am Chem Soc 138:9663-74 |
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