High-valent intermediates of heme proteins and model compounds |
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Authors: | Danni L Harris |
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Institution: | Molecular Research Institute, Mountain View, California 94043, USA. dannil@purisima.molres.org |
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Abstract: | Recent computational and experimental probes of high-valent intermediates in heme proteins and model compounds reveal a rich spectrum of chemical behavior that is dependent on the nature of the proximal ligand, metal center, distal- and proximal-binding site environment, porphyrin macrocycle architecture, and consequent electronic structure. The results of such studies reveal an underlying complexity, which is simply understood once one is cognizant of the 'chameleon'-like behavior of such intermediates is determined by the high-valent intermediate environment. |
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Keywords: | Heme proteins computational chemistry bioinorganic high-valent intermediates P450 peroxidase catalase compound I DFT density functional theory |
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