Small Achiral Ligands as Vibrational Circular Dichroism Probes of Active Sites in Metalloproteins

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Dr. Laurence A. Nafie of Syracuse University is funded for his research on small achiral ligands as vibrational circular dichroism (VCD) probes of active sites in metalloproteins by the Physical Chemistry Program of the Chemistry Division. Improved experimental measurements and theoretical calculations will be used to complete the developement of VCD as a sensitive probe of metal-ligand active-sites in metalloproteins. New information about the solution-state structure and conformaton of metalloprotein complexes will be generated, and new insight into the (1) low-lying electronic structure of associated metal centers, (2) protein pocket environments in metalloproteins, and (3) coupling of these structural elements to the vibrational modes observed in VCD spectra will be obtained. Such studies will positively impact associated vibrational measurement techniques such as IR absorption and resonance Raman scattering in metalloprotein complexes.The use of various spectroscopies to better understand protein structure and function is a long-standing goal of experimental physical chemistry. The vibrational circular dichroism studies of metalloproteins and associated complexes at Syracuse University will extend our structure-function understanding of metalloproteins, so important to energy metabolism in biological systems.