This subproject is one of many research subprojects utilizing theresources provided by a Center grant funded by NIH/NCRR. The subproject andinvestigator (PI) may have received primary funding from another NIH source,and thus could be represented in other CRISP entries. The institution listed isfor the Center, which is not necessarily the institution for the investigator.High resolution tissue and tumor images of molecular oxygenation arerelevant to understanding a variety of important, clinical problemsincluding stroke, heart attack, peripheral vascular disease, and cancer.Such images can provide crucial guides to the delivery and monitoring ofappropriate therapy. Imaging requires design, synthesis, andcharacterization of paramagnetic probes. We need to compute hyperfine couplings of the paramagnetic probes we study in order to improve thedesign of new probes. 'One of the most challenging tasks incomputational chemistry is the accurate calculation of the isotropichyperfine components' Mattar and Stephens (2000). To use large basissets, and to include solvent interactions with the radicals, requirescomputational capabilities that we do not have locally. This work issupported in part by NIH grant P41 EB002034, Howard Halpern, Universityof Chicago, PI, Gareth Eaton, University of Denver, Co-PI.
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