Biological Inorganic and Inorganic Chemistry
Metalloproteins occur widely in nature and exhbit a diverse range of of biological functions, from metal ion homeostatsis, enzymatic catalysis, drug metabolism and electron transfer. Spectroscopic (EPR and NMR) characterisation of the active sites, enzyme intermediates and product complexes inconjunction with computer simulation studies and computational chemistry can provide detailed information on the metalloezymes catalytic cycle.
Insights from biomimetic systems can also provide valuable insights and lead to the development of commercial catalysts and drugs. Systems of interest include the tetranuclear Mn oxygen evolving complex, enzymes involved in sulfur metabolism, marine cyclic peptides (CO2 fixation) and synthetic analogues, hydrogenases, P450's metallohydrolases and Cu neuropeptides.The research program utilises a vast range of multifrequency variable temperature continuous wave and pulsed (ESEEM, HYSCORE, ENDOR, DEER) spectroscopy to characterise the metal centres. Computer simulation (XSophe-Sophe-Xepr and Molecular Sophe) and computational chemistry are important components in the characterisation of the metal ion active sites and elucidating their catalytic mechanisms.