Inspiration from Nature: Influence of Engineered Ligand Scaffolds and Auxiliary Factors on the Reactivity of Biomimetic Oxidants

Engineering the Oxidative Potency of Non-Heme Iron(IV) Oxo Complexes in Water for C–H Oxidation by a cis Donor and Variation of the Second Coordination Sphere

(2021) Christina Wegeberg et al.   INORGANIC CHEMISTRY

How Do Electrostatic Perturbations of the Protein Affect the Bifurcation Pathways of Substrate Hydroxylation versus Desaturation in the Nonheme Iron-Dependent Viomycin Biosynthesis Enzyme?

(2021) Hafiz Saqib Ali et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid

(2021) Lea R. Rapp et al.   ACS Catalysis

Effect of the Ligand Backbone on the Reactivity and Mechanistic Paradigm of Non‐Heme Iron(IV)‐Oxo during Olefin Epoxidation

(2021) Jyoti Prasad Biswas et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanism of Oxidative Ring‐closure as Part of the Hygromycin Biosynthesis Step by a Nonheme Iron Dioxygenase

(2021) Hafiz Saqib Ali et al.   ChemCatChem

Electrostatic perturbations from the protein affect C‐H bond strengths of the substrate and enable negative catalysis in the TmpA biosynthesis enzyme.

(2021) Yen-Ting Lin et al.   CHEMISTRY-A EUROPEAN JOURNAL

Glutarate Hydroxylation by the Carbon Starvation-Induced Protein D: A Computational Study into the Stereo- and Regioselectivities of the Reaction

(2021) Sungho Bosco Han et al.   INORGANIC CHEMISTRY

Negative catalysis / non-Bell-Evans-Polanyi reactivity by metalloenzymes: Examples from mononuclear heme and non-heme iron oxygenases

(2021) Sam P. de Visser et al.   COORDINATION CHEMISTRY REVIEWS

Electron Transfer in Nitrogenase

(2020) Hannah L. Rutledge et al.   CHEMICAL REVIEWS

Reactivity, Mechanism, and Assembly of the Alternative Nitrogenases

(2020) Andrew J. Jasniewski et al.   CHEMICAL REVIEWS

Effect of Ligand Fields on the Reactivity of O2‐Activating Iron(II)‐Benzilate Complexes of Neutral N5 Donor Ligands

(2020) Shrabanti Bhattacharya et al.   Chemistry-An Asian Journal

Effect of Lewis Acids on the Structure and Reactivity of a Mononuclear Hydroxomanganese(III) Complex

(2020) Derek B. Rice et al.   INORGANIC CHEMISTRY

Electron-Transfer and Redox Reactivity of High-Valent Iron Imido and Oxo Complexes with the Formal Oxidation States of Five and Six

(2020) Xiaoyan Lu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Perchlorate Reduction Using Iron: Mechanistic Insights and Improved Catalyst Turnover

(2020) Michael J. Drummond et al.   ACS Catalysis

Predictable Selectivity in Remote C−H Oxidation of Steroids: Analysis of Substrate Binding Mode

(2020) Giorgio Olivo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Current Understanding of the Mechanism of Water Oxidation in Photosystem II and Its Relation to XFEL Data

(2020) Nicholas Cox et al.   Annual Review of Biochemistry

Reduction of Substrates by Nitrogenases

(2020) Lance C. Seefeldt et al.   CHEMICAL REVIEWS

Tuning Second Coordination Sphere Interactions in Polypyridyl–Iron Complexes to Achieve Selective Electrocatalytic Reduction of Carbon Dioxide to Carbon Monoxide

(2020) David Z. Zee et al.   INORGANIC CHEMISTRY

Model Complexes Elucidate the Role of the Proximal Hydrogen-Bonding Network in Cytochrome P450s

(2020) Andrew P. Hunt et al.   INORGANIC CHEMISTRY

Molecular Identification of a High-Spin Deprotonated Intermediate during the S2 to S3 Transition of Nature’s Water-Oxidizing Complex

(2020) Thomas A. Corry et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How do metal ions modulate the rate‐determining electron transfer step in Cytochrome P450 reactions?

(2020) Vaibhav Dixit et al.   CHEMISTRY-A EUROPEAN JOURNAL

Eccentricities in Spectroscopy and Reactivity of Non‐Heme Metal Intermediates Contained in Bispidine Scaffolds

(2020) Gourab Mukherjee et al.   ISRAEL JOURNAL OF CHEMISTRY

Effects of Noncovalent Interactions on High-Spin Fe(IV)–Oxido Complexes

(2020) Victoria F. Oswald et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rational Design of Bioinspired Catalysts for Selective Oxidations

(2020) Laia Vicens et al.   ACS Catalysis

A Promising Approach for Controlling the 2nd Coordination Sphere of Biomimetic Metal Complexes: Encapsulation in a Dynamic Hydrogen‐Bonded Capsule

(2020) Benoit Colasson et al.   CHEMISTRY-A EUROPEAN JOURNAL

Role of oxidation state, ferryl-oxygen, and ligand architecture on the reactivity of popular high-valent FeIV=O species: A theoretical perspective

(2020) Ravi Kumar et al.   COORDINATION CHEMISTRY REVIEWS

Designer metalloenzymes for synthetic biology: Enzyme hybrids for catalysis

(2020) Amanda G. Jarvis   CURRENT OPINION IN CHEMICAL BIOLOGY

Hydroxyl Transfer to Carbon Radicals by Mn(OH) vs Fe(OH) Corrole Complexes

(2020) Daniel C. Cummins et al.   INORGANIC CHEMISTRY

Temperature-Dependent Reactivity of a Non-heme FeIII(OH)(SR) Complex: Relevance to Isopenicillin N Synthase

(2020) Vishal Yadav et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synergy between metals for small molecule activation: Enzymes and bio-inspired complexes

(2020) Ashta C. Ghosh et al.   COORDINATION CHEMISTRY REVIEWS

Cytochrome P450—The Wonderful Nanomachine Revealed through Dynamic Simulations of the Catalytic Cycle

(2019) Kshatresh Dutta Dubey et al.   ACCOUNTS OF CHEMICAL RESEARCH

Significance of protein-substrate hydrogen bonding for the selectivity of P450 catalysed oxidations

(2019) James Joseph De Voss et al.   CHEMISTRY-A EUROPEAN JOURNAL

A Mononuclear Nonheme Iron(IV)-Oxo Complex of a Substituted N4Py Ligand: Effect of Ligand Field on Oxygen Atom Transfer and C–H Bond Cleavage Reactivity

(2019) Reena Singh et al.   INORGANIC CHEMISTRY

Tuning the Geometric and Electronic Structure of Synthetic High-Valent Heme Iron(IV)-Oxo Models in the Presence of a Lewis Acid and Various Axial Ligands

(2019) Melanie A. Ehudin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Activation of Metal Oxo and Nitrido Complexes by Lewis Acids

(2019) Yingying Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stable Iron Porphyrin Intramolecularly Coordinated by Alcoholate Anion: Synthesis and Evaluation of Axial Ligand Effect of Alcoholate on Spectroscopy and Catalytic Activity

(2019) Yoshinori Shirakawa et al.   INORGANIC CHEMISTRY

Induction of Enzyme-like Peroxidase Activity in an Iron Porphyrin Complex Using Second Sphere Interactions

(2019) Snehadri Bhakta et al.   INORGANIC CHEMISTRY

Second-Sphere Biomimetic Multipoint Hydrogen-Bonding Patterns to Boost CO2 Reduction of Iron Porphyrins

(2019) Philipp Gotico et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Interplay Between Steric and Electronic Effects: A Joint Spectroscopy and Computational Study of Nonheme Iron(IV)‐Oxo Complexes

(2019) Gourab Mukherjee et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Hydrogen Bond and Beyond: Perspectives for Rotational Investigations of Non‐Covalent Interactions

(2019) Marcos Juanes et al.   CHEMISTRY-A EUROPEAN JOURNAL

Experimental and theoretical studies of the porphyrin ligand effect on the electronic structure and reactivity of oxoiron(iv) porphyrin π-cation-radical complexes

(2019) Yuri Ishimizu et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation

(2019) Michael J. Drummond et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Oxidative Activation of Fluorinated Aromatic Compounds by N‐Bridged Diiron‐Phthalocyanine. What determines the reactivity?

(2019) Samuel de Visser et al.   CHEMISTRY-A EUROPEAN JOURNAL

Resonance Raman Spectroscopy and Density Functional Theory Calculations on Ferrous Porphyrin Dioxygen Adducts with Different Axial Ligands: Correlation of Ground State Wave Function and Geometric Parameters with Experimental Vibrational Frequencies

(2019) Asmita Singha et al.   INORGANIC CHEMISTRY

CO2 Reduction on an Iron-Porphyrin Center: A Computational Study

(2019) Paul A. Davethu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dioxygen-Derived Nonheme Mononuclear FeIII(OH) Complex and Its Reactivity with Carbon Radicals

(2019) Vishal Yadav et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O–O Bond Cleavage, and Reactivity

(2019) Penny Chaau Yan Poon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural Origin of the Large Redox-Linked Reorganization in the 2-Oxoglutarate Dependent Oxygenase, TauD

(2019) Christopher W. John et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Characterization of Terminal Iron(III)–Oxo and Iron(III)–Hydroxo Complexes Derived from O2 Activation

(2019) Zachary Gordon et al.   INORGANIC CHEMISTRY

Hydroxylation of Aromatics by H 2 O 2 Catalyzed by Mononuclear Non‐heme Iron Complexes: Role of Triazole Hemilability in Substrate‐Induced Bifurcation of the H 2 O 2 Activation Mechanism

(2019) Jean‐Noël Rebilly et al.   CHEMISTRY-A EUROPEAN JOURNAL

Second‐Coordination Sphere Effects on Selectivity and Specificity of Heme and Nonheme Iron Enzymes

(2019) Sam P. Visser   CHEMISTRY-A EUROPEAN JOURNAL

Hydrogen Atom Abstraction by High-Valent Fe(OH) versus Mn(OH) Porphyrinoid Complexes: Mechanistic Insights from Experimental and Computational Studies

(2019) Jan Paulo T. Zaragoza et al.   INORGANIC CHEMISTRY

Selective Hydrogen Atom Abstraction from Dihydroflavonol by a Nonheme Iron Center Is the Key Step in the Enzymatic Flavonol Synthesis and Avoids Byproducts

(2019) Sidra Ghafoor et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes

(2018) Debasish Mandal et al.   ACCOUNTS OF CHEMICAL RESEARCH

Site- and Enantioselective C−H Oxygenation Catalyzed by a Chiral Manganese Porphyrin Complex with a Remote Binding Site

(2018) Finn Burg et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non-Heme Oxoiron(IV) Complex that Makes it a Better Oxidant

(2018) Waqas Rasheed et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Controlling Selectivity in Aliphatic C−H Oxidation through Supramolecular Recognition

(2018) Diego Vidal et al.   CHEMISTRY-A EUROPEAN JOURNAL

A Switch from Mechanistic Competition Mediated by a Combination of Temperature and Concentration Effects in the Oxidation Reaction of [FeII (N4Py/TPA)](OTf)2

(2018) Tzu-Hsien Tseng et al.   CHEMISTRY-A EUROPEAN JOURNAL

Bispidines for radiopharmaceuticals

(2018) Peter Comba et al.   DALTON TRANSACTIONS

Sc3+ (or HClO4) Activation of a Nonheme FeIII–OOH Intermediate for the Rapid Hydroxylation of Cyclohexane and Benzene

(2018) Subhasree Kal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex

(2018) Thomas M. Pangia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aliphatic C–H Bond Oxidation with Hydrogen Peroxide Catalyzed by Manganese Complexes: Directing Selectivity through Torsional Effects

(2018) Michela Milan et al.   ORGANIC LETTERS

Carbon Dioxide Reduction by Iron Hangman Porphyrins

(2018) Charles G. Margarit et al.   ORGANOMETALLICS

Positional effects of second-sphere amide pendants on electrochemical CO2 reduction catalyzed by iron porphyrins

(2018) Eva M. Nichols et al.   Chemical Science

The Quest for Selectivity in Hydrogen Atom Transfer Based Aliphatic C–H Bond Oxygenation

(2018) Michela Milan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Dramatic rate-enhancement of oxygen atom transfer by an iron(iv)-oxo species by equatorial ligand field perturbations

(2018) Gourab Mukherjee et al.   DALTON TRANSACTIONS

Selective C–H halogenation over hydroxylation by non-heme iron(iv)-oxo

(2018) Sujoy Rana et al.   Chemical Science

Dioxygen Activation by the Biofuel-Generating Cytochrome P450 OleT

(2018) Courtney E. Wise et al.   ACS Catalysis

Missing Pieces in the Puzzle of Biological Water Oxidation

(2018) Dimitrios A. Pantazis   ACS Catalysis

Probing Hydrogen Bonding Interactions to Iron-Oxido/Hydroxido Units by 57 Fe Nuclear Resonance Vibrational Spectroscopy

(2018) Andrew C. Weitz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective Formation of an FeIV O or an FeIII OOH Intermediate From Iron(II) and H2 O2 : Controlled Heterolytic versus Homolytic Oxygen-Oxygen Bond Cleavage by the Second Coordination Sphere

(2018) Khaled Cheaib et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structures of the intermediates of Kok’s photosynthetic water oxidation clock

(2018) Jan Kern et al.   NATURE

Mechanisms of Cytochrome P450-Catalyzed Oxidations

(2018) F. Peter Guengerich   ACS Catalysis

Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?

(2018) Amy Timmins et al.   Frontiers in Chemistry

A Systematic DFT Approach for Studying Mechanisms of Redox Active Enzymes

(2018) Per E. M. Siegbahn et al.   Frontiers in Chemistry

Iron-Strapped Porphyrins with Carboxylic Acid Groups Hanging over the Coordination Site: Synthesis, X-ray Characterization, and Dioxygen Binding

(2017) Bernard Boitrel et al.   INORGANIC CHEMISTRY

Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)–Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications

(2017) Zachary Gordon et al.   INORGANIC CHEMISTRY

Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes

(2017) Lukas Bucinsky et al.   INORGANIC CHEMISTRY

Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity

(2017) Jennifer O. Bigelow et al.   INORGANIC CHEMISTRY

Achieving One-Electron Oxidation of a Mononuclear Nonheme Iron(V)-Imido Complex

(2017) Seungwoo Hong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Mononuclear Nonheme Iron(V)-Imido Complex

(2017) Seungwoo Hong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct Observation of Oxygen Rebound with an Iron-Hydroxide Complex

(2017) Jan Paulo T. Zaragoza et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure and spin state of nonheme FeIVO complexes depending on temperature: predictive insights from DFT calculations and experiments

(2017) Na Young Lee et al.   Chemical Science

Readily Accessible Bulky Iron Catalysts exhibiting Site Selectivity in the Oxidation of Steroidal Substrates

(2016) David Font et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cooperativity in Noncovalent Interactions

(2016) A. Subha Mahadevi et al.   CHEMICAL REVIEWS

A Systematic Account on Aromatic Hydroxylation by a Cytochrome P450 Model Compound I: A Low-Pressure Mass Spectrometry and Computational Study

(2016) Fabián G. Cantú Reinhard et al.   CHEMISTRY-A EUROPEAN JOURNAL

Catalytic strategies of the non-heme iron dependent oxygenases and their roles in plant biology

(2016) Mark D White et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Bispidine as a Privileged Scaffold

(2016) Isabelle Tomassoli et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex

(2016) Derek B. Rice et al.   INORGANIC CHEMISTRY

Reductive Activation of O2 by Non-Heme Iron(II) Benzilate Complexes of N4 Ligands: Effect of Ligand Topology on the Reactivity of O2-Derived Oxidant

(2016) Biswarup Chakraborty et al.   INORGANIC CHEMISTRY

Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into theMycobacterium tuberculosisCytochrome P450 CYP126A1

(2016) Jude T. Chenge et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Protein effects in non-heme iron enzyme catalysis: insights from multiscale models

(2016) Nathalie Proos Vedin et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

NaClO-Generated Iron(IV)oxo and Iron(V)oxo TAMLs in Pure Water

(2016) Matthew R. Mills et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry

(2016) Diana A. Iovan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Through-Space Charge Interaction Substituent Effects in Molecular Catalysis Leading to the Design of the Most Efficient Catalyst of CO2-to-CO Electrochemical Conversion

(2016) Iban Azcarate et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bioinspired Nonheme Iron Catalysts for C–H and C═C Bond Oxidation: Insights into the Nature of the Metal-Based Oxidants

(2015) Williamson N. Oloo et al.   ACCOUNTS OF CHEMICAL RESEARCH

Hydrogen-Bonding Interactions Trigger a Spin-Flip in Iron(III) Porphyrin Complexes

(2015) Dipankar Sahoo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Continuous cyclohexane oxidation to cyclohexanol using a novel cytochrome P450 monooxygenase fromAcidovoraxsp. CHX100 in recombinantP. taiwanensisVLB120 biofilms

(2015) Rohan Karande et al.   BIOTECHNOLOGY AND BIOENGINEERING

Drug Metabolism by Cytochrome P450 Enzymes: What Distinguishes the Pathways Leading to Substrate Hydroxylation Over Desaturation?

(2015) Li Ji et al.   CHEMISTRY-A EUROPEAN JOURNAL

Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity

(2015) Teera Chantarojsiri et al.   INORGANIC CHEMISTRY

Spectroscopic Identification of an FeIII Center, not FeIV, in the Crystalline Sc–O–Fe Adduct Derived from [FeIV(O)(TMC)]2+

(2015) Jai Prakash et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Intermediates Involved in the 2e–/2H+ Reduction of CO2 to CO by Iron(0) Porphyrin

(2015) Biswajit Mondal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modeling TauD-J: A High-Spin Nonheme Oxoiron(IV) Complex with High Reactivity toward C–H Bonds

(2015) Achintesh N. Biswas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biofragments: An Approach towards Predicting Protein Function Using Biologically Related Fragments and its Application toMycobacterium tuberculosisCYP126

(2014) Sean A. Hudson et al.   CHEMBIOCHEM

Heme Enzyme Structure and Function

(2014) Thomas L. Poulos   CHEMICAL REVIEWS

Temperature and Pressure Effects on C–H Abstraction Reactions Involving Compound I and II Mimics in Aqueous Solution

(2014) Maria Oszajca et al.   INORGANIC CHEMISTRY

Resonance Raman, Electron Paramagnetic Resonance, and Density Functional Theory Calculations of a Phenolate-Bound Iron Porphyrin Complex: Electrostatic versus Covalent Contribution to Bonding

(2014) Pradip Kumar Das et al.   INORGANIC CHEMISTRY

Structure and Biochemical Properties of the Alkene Producing Cytochrome P450 OleTJE(CYP152L1) from theJeotgalicoccussp. 8456 Bacterium

(2014) James Belcher et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Long-Range Electron Transfer Triggers Mechanistic Differences between Iron(IV)-Oxo and Iron(IV)-Imido Oxidants

(2014) Suresh Kumar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Homogeneous Photochemical Water Oxidation by Biuret-Modified Fe-TAML: Evidence of FeV(O) Intermediate

(2014) Chakadola Panda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Status of Reactive Non-Heme Metal–Oxygen Intermediates in Chemical and Enzymatic Reactions

(2014) Kallol Ray et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An ultra-stable oxoiron(iv) complex and its blue conjugate base

(2014) Jason England et al.   Chemical Science

Geometric and Electronic Structure Contributions to Function in Non-heme Iron Enzymes

(2013) Edward I. Solomon et al.   ACCOUNTS OF CHEMICAL RESEARCH

Comparison of the Reactivity of Nonheme Iron(IV)-Oxo versus Iron(IV)-Imido Complexes: Which is the Better Oxidant?

(2013) Anil Kumar Vardhaman et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Inversion of Enantioselectivity of a Mononuclear Non-Heme Iron(II)-dependent Hydroxylase by Tuning the Interplay of Metal-Center Geometry and Protein Structure

(2013) Sarah M. Pratter et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A change in the oxidation state of iron: scandium is not innocent

(2013) Marcel Swart   CHEMICAL COMMUNICATIONS

Spectroscopic characterization of a phenolate bound FeII–O2adduct: gauging the relative “push” effect of a phenolate axial ligand

(2013) Pradip Kumar Das et al.   CHEMICAL COMMUNICATIONS

Evidence that steric factors modulate reactivity of tautomeric iron–oxo species in stereospecific alkane C–H hydroxylation

(2013) Mainak Mitra et al.   CHEMICAL COMMUNICATIONS

Phthalocyanine Metal Complexes in Catalysis

(2013) Alexander B. Sorokin   CHEMICAL REVIEWS

Does Hydrogen-Bonding Donation to Manganese(IV)-Oxo and Iron(IV)-Oxo Oxidants Affect the Oxygen-Atom Transfer Ability? A Computational Study

(2013) Reza Latifi et al.   CHEMISTRY-A EUROPEAN JOURNAL

Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes

(2013) Irene Prat et al.   INORGANIC CHEMISTRY

C–H Oxidation by H2O2 and O2 Catalyzed by a Non-Heme Iron Complex with a Sterically Encumbered Tetradentate N-Donor Ligand

(2013) Qiao Zhang et al.   INORGANIC CHEMISTRY

O2 Reduction Reaction by Biologically Relevant Anionic Ligand Bound Iron Porphyrin Complexes

(2013) Subhra Samanta et al.   INORGANIC CHEMISTRY

Rationalization of the Barrier Height forp-Z-styrene Epoxidation by Iron(IV)-Oxo Porphyrin Cation Radicals with Variable Axial Ligands

(2013) Devesh Kumar et al.   INORGANIC CHEMISTRY

Asymmetric Epoxidation with H2O2 by Manipulating the Electronic Properties of Non-heme Iron Catalysts

(2013) Olaf Cussó et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Frontier Orbital Study with ab Initio Molecular Dynamics of the Effects of Solvation on Chemical Reactivity: Solvent-Induced Orbital Control in FeO-Activated Hydroxylation Reactions

(2013) Leonardo Bernasconi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach

(2013) Sumit Sahu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Complex N-Heterocycle Synthesis via Iron-Catalyzed, Direct C-H Bond Amination

(2013) E. T. Hennessy et al.   SCIENCE

Water oxidation mechanism in photosystem II, including oxidations, proton release pathways, O―O bond formation and O2 release

(2012) Per E.M. Siegbahn   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

An aqueous non-heme Fe(iv)oxo complex with a basic group in the second coordination sphere

(2012) Mads Sørensen Vad et al.   CHEMICAL COMMUNICATIONS

Generation and characterization of high-valent iron oxo phthalocyanines

(2012) Pavel Afanasiev et al.   CHEMICAL COMMUNICATIONS

Cation−π Interaction: Its Role and Relevance in Chemistry, Biology, and Material Science

(2012) A. Subha Mahadevi et al.   CHEMICAL REVIEWS

An Iron Catalyst for Oxidation of Alkyl CH Bonds Showing Enhanced Selectivity for Methylenic Sites

(2012) Irene Prat et al.   CHEMISTRY-A EUROPEAN JOURNAL

Oxoferryl species in mononuclear non-heme iron enzymes: Biosynthesis, properties and reactivity from a theoretical perspective

(2012) Marcus Lundberg et al.   COORDINATION CHEMISTRY REVIEWS

Intrinsic properties and reactivities of mononuclear nonheme iron–oxygen complexes bearing the tetramethylcyclam ligand

(2012) Sam P. de Visser et al.   COORDINATION CHEMISTRY REVIEWS

EPR, Resonance Raman, and DFT Calculations on Thiolate- and Imidazole-Bound Iron(III) Porphyrin Complexes: Role of the Axial Ligand in Tuning the Electronic Structure

(2012) Pradip Kumar Das et al.   INORGANIC CHEMISTRY

Effect of the Axial Ligand on the Reactivity of the Oxoiron(IV) Porphyrin π-Cation Radical Complex: Higher Stabilization of the Product State Relative to the Reactant State

(2012) Akihiro Takahashi et al.   INORGANIC CHEMISTRY

Axial Ligand Effects on Vibrational Dynamics of Iron in Heme Carbonyl Studied by Nuclear Resonance Vibrational Spectroscopy

(2012) Takehiro Ohta et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Directed Metal (Oxo) Aliphatic C–H Hydroxylations: Overriding Substrate Bias

(2012) Marinus A. Bigi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Valence Tautomerism in a High-Valent Manganese–Oxo Porphyrinoid Complex Induced by a Lewis Acid

(2012) Pannee Leeladee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Investigating the oxidation of alkenes by non-heme iron enzyme mimics

(2012) Sarah M. Barry et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Adding Aliphatic C-H Bond Oxidations to Synthesis

(2012) M. C. White   SCIENCE

A Local Proton Source Enhances CO2 Electroreduction to CO by a Molecular Fe Catalyst

(2012) C. Costentin et al.   SCIENCE

Asymmetric Epoxidations with H2O2 on Fe and Mn Aminopyridine Catalysts: Probing the Nature of Active Species by Combined Electron Paramagnetic Resonance and Enantioselectivity Study

(2012) Oleg Y. Lyakin et al.   ACS Catalysis

Selective C–H oxidation catalyzed by metalloporphyrins

(2011) Miquel Costas   COORDINATION CHEMISTRY REVIEWS

Solution behavior of iron(iii) and iron(ii) porphyrins in DMSO and reaction with superoxide. Effect of neighboring positive charge on thermodynamics, kinetics and nature of iron-(su)peroxo product

(2011) K. Duerr et al.   DALTON TRANSACTIONS

Reaction of an Oxoiron(IV) Complex with Nitrogen Monoxide: Oxygen Atom or Oxide(•1–) Ion Transfer?

(2011) Travis M. Owen et al.   INORGANIC CHEMISTRY

Mechanistic insight from thermal activation parameters for oxygenation reactions of different substrates with biomimetic iron porphyrin models for compounds I and II

(2011) Christoph Fertinger et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Catalytic Reduction of Dioxygen to Water with a Monomeric Manganese Complex at Room Temperature

(2011) Ryan L. Shook et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Diverting non-haem iron catalysed aliphatic C–H hydroxylations towards desaturations

(2011) Marinus A. Bigi et al.   Nature Chemistry

Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state

(2011) S. Ye et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A mononuclear nonheme iron(iv)-oxo complex which is more reactive than cytochrome P450 model compound I

(2011) Mi Sook Seo et al.   Chemical Science

P450cam Visits an Open Conformation in the Absence of Substrate,

(2010) Young-Tae Lee et al.   BIOCHEMISTRY

Proton-Coupled Electron Flow in Protein Redox Machines

(2010) Jillian L. Dempsey et al.   CHEMICAL REVIEWS

Coordination chemistry of corroles with focus on main group elements

(2010) Iris Aviv-Harel et al.   COORDINATION CHEMISTRY REVIEWS

Role of the Secondary Coordination Sphere in Metal-Mediated Dioxygen Activation

(2010) Ryan L. Shook et al.   INORGANIC CHEMISTRY

Axial Ligand Orientations in a Distorted Porphyrin Macrocycle: Synthesis, Structure, and Properties of Low-Spin Bis(imidazole)iron(III) and Iron(II) Porphyrinates†† Dedicated to Prof. Animesh Chakravorty on the occasion of his 75th birthday.

(2010) Ranjan Patra et al.   INORGANIC CHEMISTRY

Metal Ion-Coupled Electron Transfer of a Nonheme Oxoiron(IV) Complex: Remarkable Enhancement of Electron-Transfer Rates by Sc3+

(2010) Yuma Morimoto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal structure of a metal ion-bound oxoiron(IV) complex and implications for biological electron transfer

(2010) Shunichi Fukuzumi et al.   Nature Chemistry

Combined Effects on Selectivity in Fe-Catalyzed Methylene Oxidation

(2010) M. S. Chen et al.   SCIENCE

Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics

(2010) J. Rittle et al.   SCIENCE

Structures and Energetics for O2Formation in Photosystem II

(2009) Per E. M. Siegbahn   ACCOUNTS OF CHEMICAL RESEARCH

Stereospecific CH Oxidation with H2O2Catalyzed by a Chemically Robust Site-Isolated Iron Catalyst

(2009) Laura Gómez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Proton-Coupled Electron Transfer in Biology: Results from Synergistic Studies in Natural and Model Systems

(2009) Steven Y. Reece et al.   Annual Review of Biochemistry

Hydrocarbon Hydroxylation by Cytochrome P450 Enzymes

(2009) Paul R. Ortiz de Montellano   CHEMICAL REVIEWS

Spectroscopic and Mechanistic Studies on Oxidation Reactions Catalyzed by the Functional Model SR Complex for Cytochrome P450: Influence of Oxidant, Substrate, and Solvent

(2009) Natalya Hessenauer-Ilicheva et al.   CHEMISTRY-A EUROPEAN JOURNAL

How Does the Axial Ligand of Cytochrome P450 Biomimetics Influence the Regioselectivity of Aliphatic versus Aromatic Hydroxylation?

(2009) Sam P. de Visser et al.   CHEMISTRY-A EUROPEAN JOURNAL

Enhanced Reactivities of Iron(IV)-Oxo Porphyrin π-Cation Radicals in Oxygenation Reactions by Electron-Donating Axial Ligands

(2009) Yaeun Kang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanistic Insight into Formation of Oxo-Iron(IV) Porphyrin π-Cation Radicals from Enzyme Mimics of Cytochrome P450 in Organic Solvents

(2009) Natalya Hessenauer-Ilicheva et al.   CHEMISTRY-A EUROPEAN JOURNAL

Contrasting Effects of Axial Ligands on Electron-Transfer Versus Proton-Coupled Electron-Transfer Reactions of Nonheme Oxoiron(IV) Complexes

(2009) Shunichi Fukuzumi et al.   CHEMISTRY-A EUROPEAN JOURNAL

Cyanometalate-bridged oligonuclear transition metal complexes—Possibilities for a rational design of SMMs

(2009) Mihail Atanasov et al.   COORDINATION CHEMISTRY REVIEWS

Effect of Imidazole and Phenolate Axial Ligands on the Electronic Structure and Reactivity of Oxoiron(IV) Porphyrin π-Cation Radical Complexes: Drastic Increase in Oxo-Transfer and Hydrogen Abstraction Reactivities

(2009) Akihiro Takahashi et al.   INORGANIC CHEMISTRY

Effect of Porphyrin Ligands on the Regioselective Dehydrogenation versus Epoxidation of Olefins by Oxoiron(IV) Mimics of Cytochrome P450

(2009) Devesh Kumar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Trends in Substrate Hydroxylation Reactions by Heme and Nonheme Iron(IV)-Oxo Oxidants Give Correlations between Intrinsic Properties of the Oxidant with Barrier Height

(2009) Sam P. de Visser   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Inverted and More Oxidizing Isomer of [FeIV(O)(tmc)(NCCH3)]2+

(2008) Kallol Ray et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Which Oxidant Is Really Responsible for P450 Model Oxygenation Reactions? A Kinetic Approach

(2008) Alicja Franke et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Contrastingcis andtrans Effects on the Reactivity of Nonheme Oxoiron(IV) Complexes

(2008) Yuming Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Proton- and Reductant-Assisted Dioxygen Activation by a Nonheme Iron(II) Complex to Form an Oxoiron(IV) Intermediate

(2008) Aurore Thibon et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An Iron Nitride Complex

(2008) Carola Vogel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Iron-Catalyzed Asymmetric Olefincis-Dihydroxylation with 97 % Enantiomeric Excess

(2008) Ken Suzuki et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Characterization of the Microsomal Cytochrome P450 2B4 O2Activation Intermediates by Cryoreduction and Electron Paramagnetic Resonance†

(2008) Roman Davydov et al.   BIOCHEMISTRY

The effects of hydrogen bonds on metal-mediated O2 activation and related processes

(2008) Ryan L. Shook et al.   CHEMICAL COMMUNICATIONS

A Two-State Reactivity Rationale for Counterintuitive Axial Ligand Effects on the CH Activation Reactivity of Nonheme FeIVO Oxidants

(2008) Hajime Hirao et al.   CHEMISTRY-A EUROPEAN JOURNAL

How Do Azoles Inhibit Cytochrome P450 Enzymes? A Density Functional Study†

(2008) Philip R. Balding et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dioxygen Activation at a Mononuclear Cu(I) Center Embedded in the Calix[6]arene-Tren Core

(2008) Guillaume Izzet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for atransInfluence in FeIII−OOR Complexes

(2008) Frances Namuswe et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex

(2008) Ismael Nieto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II

(2008) Eduardo M. Sproviero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Axial Ligand Effects on the Geometric and Electronic Structures of Nonheme Oxoiron(IV) Complexes

(2008) Timothy A. Jackson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Valence Bond Modeling of Trends in Hydrogen Abstraction Barriers and Transition States of Hydroxylation Reactions Catalyzed by Cytochrome P450 Enzymes

(2008) Sason Shaik et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Versatility of biological non-heme Fe(II) centers in oxygen activation reactions

(2008) Elena G Kovaleva et al.   Nature Chemical Biology

The Mechanism for Isopenicillin N Synthase from Density-Functional Modeling Highlights the Similarities with Other Enzymes in the 2-His-1-carboxylate Family†

(2007) Marcus Lundberg et al.   BIOCHEMISTRY

Functional models for the oxygen-evolving complex of photosystem II

(2007) C CADY et al.   COORDINATION CHEMISTRY REVIEWS

Fundamental Electron-Transfer Properties of Non-heme Oxoiron(IV) Complexes

(2007) Yong-Min Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY