M. Quesne

发表

Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non-Heme Iron(III) Complexes

B. Weckhuysen, P. Bruijnincx, S. D. de Visser, 2014, Chemistry.

Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes.

S. D. de Visser, Devesh Kumar, M. Quesne, 2012, Organic & biomolecular chemistry.

Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs.

Matthew G. Quesne, T. Borowski, S. D. de Visser, 2016, Chemistry.

Computational modelling of oxygenation processes in enzymes and biomimetic model complexes.

Matthew G. Quesne, P. Comba, U. Ryde, 2014, Chemical communications.

Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.

P. Porebski, T. Borowski, K. Kurpiewska, 2018, Journal of structural biology.

Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates**

W. Browne, S. D. de Visser, M. Costas, 2015, Angewandte Chemie.

Computational Modelling of Oxygenation Processes in Enzymes and Biomimetic Model Complexes

P. Comba, U. Ryde, Bodo Martin, 2014 .

Proceedings of the Chemical Society. June 1958

Matthew G. Quesne, P. Comba, U. Ryde, 1958 .

Overview on theoretical studies discriminating the two-oxidant versus two-state-reactivity models for substrate monoxygenation by cytochrome P450 enzymes.

A. Munro, S. D. de Visser, Cristina S Porro, 2013, Current topics in medicinal chemistry.

Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs.

Matthew G. Quesne, T. Borowski, S. D. de Visser, 2016, Chemistry.

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

S. P. Rath, Dipankar Sahoo, S. D. de Visser, 2015, Angewandte Chemie.

Investigating the Effect of NO on the Capture of CO2 Using Superbase Ionic Liquids for Flue Gas Applications

C. Catlow, J. Jacquemin, S. F. Taylor, 2019, ACS Sustainable Chemistry & Engineering.

Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2

Matthew G. Quesne, G. Hutchings, R. Lewis, 2022, Nature Catalysis.

Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study.

Matthew G. Quesne, C. Catlow, N. D. de Leeuw, 2019, Physical chemistry chemical physics : PCCP.

QM and QM/MM Methods Compared: Case Studies on Reaction Mechanisms of Metalloenzymes.

Matthew G. Quesne, Tomasz Borowski, Maciej Szaleniec, 2015, Advances in protein chemistry and structural biology.

Regioselectivity of substrate hydroxylation versus halogenation by a nonheme iron(IV)–oxo complex: possibility of rearrangement pathways

S. P. Visser, M. Quesne, 2012, JBIC Journal of Biological Inorganic Chemistry.

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

Matthew G. Quesne, S. D. de Visser, H. Matsumura, 2013, Journal of the American Chemical Society.

Combined Experimental and Theoretical Study of the Competitive Absorption of CO2 and NO2 by a Superbase Ionic Liquid

Matthew G. Quesne, C. Catlow, J. Jacquemin, 2021, ACS sustainable chemistry & engineering.

Bulk and surface properties of metal carbides: implications for catalysis.

Matthew G. Quesne, C. Catlow, N. D. de Leeuw, 2018, Physical chemistry chemical physics : PCCP.

Origin of the Enhanced Reactivity of μ-Nitrido-Bridged Diiron(IV)-Oxo Porphyrinoid Complexes over Cytochrome P450 Compound I

Matthew G. Quesne, P. Maldivi, S. P. Visser, 2016 .

Elucidating the Significance of Copper and Nitrate Speciation in Cu-SSZ-13 for N2O Formation during NH3-SCR

Matthew G. Quesne, A. Beale, W. Jones, 2021, ACS Catalysis.

Advances in Sustainable Catalysis: A Computational Perspective

C. Richard A. Catlow, Matthew G. Quesne, Fabrizio Silveri, 2019, Front. Chem..

Modelling the bulk properties of ambient pressure polymorphs of zirconia.

C. Catlow, M. Quesne, Maicon Delarmelina, 2020, Physical chemistry chemical physics : PCCP.

How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study.

C. Catlow, N. D. de Leeuw, M. Quesne, 2021, Faraday discussions.

Oxygen-Atom Transfer Reactivity of Axially Ligated Mn(V)–Oxo Complexes: Evidence for Enhanced Electrophilic and Nucleophilic Pathways

Michael T. Green, S. D. de Visser, Tzuhsiung Yang, 2014, Journal of the American Chemical Society.

Differences and Comparisons of the Properties and Reactivities of Iron(III)–hydroperoxo Complexes with Saturated Coordination Sphere

Matthew G. Quesne, S. D. de Visser, Abayomi S Faponle, 2014, Chemistry.

Origin of the Regioselective Fatty-Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production?

S. D. de Visser, Sam P de Visser, Abayomi S Faponle, 2016, Chemistry.

Catalytic Function and Mechanism of Heme and Nonheme Iron(IV)–Oxo Complexes in Nature

S. P. Visser, Abayomi S Faponle, M. Quesne, 2015 .

Drug metabolism by cytochrome p450 enzymes: what distinguishes the pathways leading to substrate hydroxylation over desaturation?

Jing Zhang, Rudi van Eldik, Devesh Kumar, 2015, Chemistry.

The Quest for Accurate Theoretical Models of Metalloenzymes: An Aid to Experiment

Matthew G. Quesne, S. P. Visser, M. Quesne, 2019, Transition Metals in Coordination Environments.

Cysteine protease inhibition by nitrile-based inhibitors: a computational study

Matthew G. Quesne, S. D. de Visser, R. Ward, 2013, Front. Chem..

Catalytic mechanism of cofactor-free dioxygenases and how they circumvent spin-forbidden oxygenation of their substrates.

N. Scrutton, R. Steiner, S. D. de Visser, 2015, Journal of the American Chemical Society.

Origin of the Proton-transfer Step in the Cofactor-free (1H)-3-Hydroxy-4-oxoquinaldine 2,4-Dioxygenase

Matthew G. Quesne, N. Scrutton, R. Steiner, 2014, The Journal of Biological Chemistry.

Origin of the Proton-transfer Step in the Cofactor-free ( 1 H )-3-Hydroxy-4-oxoquinaldine 2 , 4-Dioxygenase EFFECT OF THE BASICITY OF AN ACTIVE SITE HIS RESIDUE *

N. Scrutton, R. Steiner, S. D. de Visser, 2014 .

dioxygenase: Effect of the basicity of an

Matthew G. Quesne, N. Scrutton, S. P. Visser, 2014 .

Group Transfer to an Aliphatic Bond: A Biomimetic Study Inspired by Nonheme Iron Halogenases

Matthew G. Quesne, T. Borowski, S. D. de Visser, 2018, ACS Catalysis.

Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375): a DFT+U-D3 study.

P. Ngoepe, N. D. de Leeuw, M. Quesne, 2020, Physical chemistry chemical physics : PCCP.

Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2

Matthew G. Quesne, G. Hutchings, R. Lewis, 2022, Nature Catalysis.

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

S. P. Rath, Dipankar Sahoo, M. Quesne, 2015, Angewandte Chemie.

Hydrogen adsorption on transition metal carbides: a DFT study.

Matthew G. Quesne, Fabrizio Silveri, Nora H. de Leeuw, 2019, Physical chemistry chemical physics : PCCP.

Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study

F. Illas, F. Viñes, C. Catlow, 2022, The journal of physical chemistry. C, Nanomaterials and interfaces.

An iron–oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase† †Electronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c6cc03904a Click here for additional data file.

Matthew G. Quesne, S. D. de Visser, S. P. Visser, 2016, Chemical communications.

Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymes.

Matthew G. Quesne, Devesh Kumar, M. Quesne, 2014, Chemistry.

Computational studies of naturally occurring, transition metal dependent, oxygen activating enzymes and their synthetic analogues

M. Quesne, 2014 .

A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase

K. Fisher, C. Catlow, S. D. de Visser, 2021, JACS Au.

Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy

U. Terranova, N. D. de Leeuw, M. Quesne, 2019, RSC advances.

Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO2 over C-Supported Cu-Based Systems

Matthew G. Quesne, C. Catlow, G. Centi, 2023, ACS catalysis.

Computational investigation of the structures and energies of microporous materials

Matthew G. Quesne, C. Catlow, M. Quesne, 2022, Microporous and Mesoporous Materials.

Singlet versus Triplet Reactivity in an Mn(V)-Oxo Species: Testing Theoretical Predictions Against Experimental Evidence.

S. D. de Visser, Tzuhsiung Yang, M. Quesne, 2016, Journal of the American Chemical Society.

Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a MnV–Oxo Complex

S. DeBeer, Tzuhsiung Yang, K. Lancaster, 2014, Chemistry.

Direct Observation of a Nonheme Iron(IV)–Oxo Complex That Mediates Aromatic C–F Hydroxylation

Matthew G. Quesne, S. D. de Visser, I. Ivanović‐Burmazović, 2014, Journal of the American Chemical Society.

Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.

P. Porebski, E. Niedzialkowska, A. Kluza, 2018 .

Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces.

C. Catlow, M. Quesne, M. Higham, 2020, Dalton transactions.

Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.

P. Porebski, T. Borowski, K. Kurpiewska, 2018, Journal of structural biology.

Computational studies of DNA base repair mechanisms by nonheme iron dioxygenases: selective epoxidation and hydroxylation pathways.

Matthew G. Quesne, S. D. de Visser, M. Quesne, 2020, Dalton transactions.

Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates

M. Quesne, S. K. Padamati, Ronald Hage, 2015, Angewandte Chemie.

Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes.

S. D. de Visser, Devesh Kumar, M. Quesne, 2012, Organic & biomolecular chemistry.

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

S. P. Rath, Dipankar Sahoo, S. D. de Visser, 2015, Angewandte Chemie.