title: The effects of atropisomerism and porphyrin deformation on 57Fe shieldings in superstructured hemoprotein models.
abstract: 57Fe NMR chemical shifts of superstructured heme model compounds have been found to be extremely sensitive to atropisomerism and deformation (ruffling) of the porphyrin geometry.
authors.affiliation: Section of Organic Chemistry and Biochemistry, University of Ioannina, Ioannina, GR-451 10, Greece. igeroth@cc.uoi.gr
authors.forename: I P
authors.initials: IP
authors.lastname: Gerothanassis
authors.forename: C G
authors.initials: CG
authors.lastname: Kalodimos
authors.forename: G E
authors.initials: GE
authors.lastname: Hawkes
authors.forename: P
authors.initials: P
authors.lastname: Haycock
mesh_terms: D002247:Carbon Isotopes; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D005290:Ferric Compounds / Q000737:chemistry; D006418:Heme / Q000737:chemistry*; D006427:Hemin / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D007503:Iron Isotopes; D007536:Isomerism; D008956:Models, Chemical; D019906:Nuclear Magnetic Resonance, Biomolecular; D010103:Oxygen Isotopes; D011166:Porphyrins / Q000737:chemistry*
chemical_list: D002247:Carbon Isotopes; D005290:Ferric Compounds; D007503:Iron Isotopes; D010103:Oxygen Isotopes; D011166:Porphyrins; D006418:Heme; D006427:Hemin; D007501:Iron