title: A cryo-generated ferrous-superoxo porphyrin: EPR, resonance Raman and DFT studies.
abstract: The resonance Raman analysis of cryo-generated ferrous-superoxy heme has been performed for the first time, and its structure and the reaction mechanism are rationalized by DFT calculations. The presence of another electronic tautomer of ferrous-superoxy heme is predicted computationally.
authors.affiliation: Picobiology Institute, Graduate School of Life Science, University of Hyogo, Hyogo 679-5148, Japan. takehiro@sci.u-hyogo.ac.jp.
authors.forename: Takehiro
authors.initials: T
authors.lastname: Ohta
authors.forename: Jin-Gang
authors.initials: JG
authors.lastname: Liu
authors.forename: Perumandla
authors.initials: P
authors.lastname: Nagaraju
authors.forename: Takashi
authors.initials: T
authors.lastname: Ogura
authors.forename: Yoshinori
authors.initials: Y
authors.lastname: Naruta
mesh_terms: D004578:Electron Spin Resonance Spectroscopy; D005290:Ferric Compounds / Q000737:chemistry / Q000528:radiation effects; D005720:Gamma Rays; D008665:Metalloporphyrins / Q000737:chemistry*; D010084:Oxidation-Reduction; D013059:Spectrum Analysis, Raman
chemical_list: D005290:Ferric Compounds; D008665:Metalloporphyrins; C035807:ferroporphyrin