Theoretical studies of mononuclear non-heme iron active sites (original) (raw)
A Hybrid Density Functional Study of O−O Bond Cleavage and Phenyl Ring Hydroxylation for a Biomimetic Non-Heme Iron Complex
Arianna Bassan
Inorganic Chemistry, 2004
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Modeling the cis-Oxo-Labile Binding Site Motif of Non-Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non-Heme Iron(IV)-Oxo Compound Bearing a Tripodal Tetradentate Ligand
Miquel Costas
Chemistry - A European Journal, 2011
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Theoretical studies of enzyme mechanisms involving high-valent iron intermediates
Arianna Bassan
Journal of Inorganic Biochemistry, 2006
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Thesis: X-ray Absorption Spectroscopy of Heme and Non-Heme Iron: Oxygen Complexes and Enzymatic Intermediates
Samuel Wilson
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High-Valent Nonheme Iron Oxidants in Biology: Lessons from Synthetic Fe(IV)=O Complexes
Lawrence Que
Bulletin of Japan Society of Coordination Chemistry, 2013
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Reactivity of methane mono-oxygenase, insights from quantum mechanic studies on synthetic iron model complexes
William Goddard
Journal of Molecular Catalysis A: Chemical, 2001
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Insight into the mechanism of an iron dioxygenase by resolution of steps following the FeIV═O species
Robert Hausinger
Proceedings of the National Academy of Sciences of the United States of America, 2010
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Experimental and Theoretical Evidence for Nonheme Iron(III) Alkylperoxo Species as Sluggish Oxidants in Oxygenation Reactions
Konrad Seppelt
Angewandte Chemie International Edition, 2007
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Insight into the mechanism of an iron dioxygenase by resolution of steps following the FeIVboxHO species
Robert Hausinger
Proceedings of the National Academy of Sciences, 2010
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High-valent nonheme iron-oxo species in biomimetic oxidations
Lawrence Que
Journal of Inorganic Biochemistry, 2006
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Spectroscopic and Theoretical Description of the Electronic Structure of S = 3/2 Iron-Nitrosyl Complexes and Their Relation to O2 Activation by Non-Heme Iron Enzyme Active Sites
Yan Zhang
Journal of the American Chemical Society, 1995
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Models for .alpha.-Keto Acid-Dependent Non-heme Iron Enzymes: Structures and Reactivity of FeII(L)(O2CCOPh) Complexes
Lawrence Que
Journal of the American Chemical Society, 1995
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Structure and Reactivity of a Mononuclear Non-heme Iron(III)–peroxo Complex
Samuel Wilson
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Explorations of iron-iron hydrogenase active site models by experiment and theory
Jesse Tye
2006
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Shape-Selective Interception by Hydrocarbons of the O2-Derived Oxidant of a Biomimetic Nonheme Iron Complex
Lawrence Que
Angewandte Chemie International Edition, 2009
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Alkane Hydroxylation by a Nonheme Iron Catalyst that Challenges the Heme Paradigm for Oxygenase Action
mireia guell
Journal of the American Chemical Society, 2007
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Reactive Intermediates in Oxygenation Reactions with Mononuclear Nonheme Iron Catalysts
Eunji Kwon
Angewandte Chemie International Edition, 2009
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The Axial Ligand Effect on Aliphatic and Aromatic Hydroxylation by Non-heme Iron(IV)-oxo Biomimetic Complexes
Sam Visser
Chemistry - An Asian Journal, 2011
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Heme Iron Catalysis: Contrast to Non-Heme Iron Enzymes
Kednerlin Dornevil
2017
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Iron(III) Complexes of Tripodal Monophenolate Ligands as Models for Non-Heme Catechol Dioxygenase Enzymes: Correlation of Dioxygenase Activity with Ligand Stereoelectronic Properties
Suresh Eringathodi
Inorganic Chemistry, 2009
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Oxygen Dissociation by Concerted Action of Di-Iron Centers in Metal–Organic Coordination Networks at Surfaces: Modeling Non-Heme Iron Enzymes
Sebastian Stepanow, Jan Honolka
Nano Letters, 2011
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Density Functional Theoretical Study of Oxo(porphyrinato)iron(IV) Complexes, Models of Peroxidase Compounds I and II
Lawrence Que
The Journal of Physical Chemistry, 1994
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Spectroscopic and Computational Evaluation of the Structure of the High-Spin Fe(IV)-Oxo Intermediates in Taurine: α-Ketoglutarate Dioxygenase from Escherichia coli and Its His99Ala Ligand Variant
Frank Neese, Nina Svensen
Journal of the American Chemical Society, 2007
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Dioxygen Activation by a Non-Heme Iron(II) Complex: Theoretical Study toward Understanding Ferric–Superoxo Complexes
Sason Shaik
Journal of Chemical Theory and Computation, 2012
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Two-State Reactivity in Alkane Hydroxylation by Non-Heme Iron−Oxo Complexes
Lawrence Que
Journal of the American Chemical Society, 2006
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Bio‐inspired Nonheme Iron Oxidation Catalysis: Involvement of Oxoiron(V) Oxidants in Cleaving Strong C−H Bonds
Lawrence Que
Angewandte Chemie International Edition, 2019
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End-on and Side-on Peroxo Derivatives of Non-Heme Iron Complexes With Pentadentate Ligands: Models for Putative Intermediates In Biological Iron/Dioxygen Chemistry
Charon Zondervan
Inorg. Chem, 2003
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Mononuclear non-heme iron enzymes with the 2-His-1-carboxylate facial triad: recent developments in enzymology and modeling studies
Robertus J.m. Klein Gebbink
Chemical Society Reviews, 2008
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Models of the Low-Spin Iron(III) Hydroperoxide Intermediate of Heme Oxygenase: Magnetic Resonance Evidence for Thermodynamic Stabilization of the d x y Electronic State at Ambient Temperatures
Mario Rivera
Journal of The American Chemical Society, 2002
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