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Dr Matthew Quesne
Postdoctoral Research Associate (with Prof Richard Catlow)
Trosolwyg
I completed my undergraduate studies from the University of Lancaster (United Kingdom) with specialization in Biochemistry. I then moved to the University of Manchester to pursue my PhD studies under supervision of Dr Sam de Visser in the field of enzyme catalysis. During my PhD studies I did an exchange project at the Max-Planck Institute at Mülheim-an-der-Ruhr with Prof Walter Thiel, where I learnt the details of running QM/MM calculations. I was awarded my PhD 2014 and joined the research group headed by Dr Tomasz Borowski at the Institute of Catalysis and Surface Chemistry Polish Academy of Science in Krakow (Poland) in November 2014. I have experience with computational modelling using various QM/MM and QM-cluster techniques. In addition, I have worked on the synthetic model complexes of many transition metal dependent catalysts. I have worked closely with many different experimental and theoretical groups to develop better industral catalysts as well as in validating the reaction mechanisms of various biomimetic systems. In April 2016 I move to Cardiff University to work in the group of Pof. Richard Catlow, where I am studying CO2 activation on a variety of transition metal carbides.
Cyhoeddiad
2023
- Stacey, E., Quesne, M. G. and Catlow, R. 2023. Computational investigation of the structures and energies of microporous materials.. Microporous and Mesoporous Materials 358, article number: 112382. (10.1016/j.micromeso.2022.112382)
- Catlow, C. R. A., Chutia, A. and Quesne, M. G. 2023. Computational modelling in catalytic science. Physical Chemistry Chemical Physics 25(31), pp. 20775-20776. (10.1039/D3CP90127K)
- Gianolio, D. et al. 2023. Interfacial chemistry in the electrocatalytic hydrogenation of CO2 over C‑supported Cu-based systems. ACS Catalysis 13(9), pp. 5876-5895. (10.1021/acscatal.3c01288)
- Quesne, M. G., Higham, M. D. and Catlow, R. 2023. Advances in modelling reaction mechanisms: bridging the gap between homogeneous and heterogeneous catalysis. In: Hutchings, G. et al. eds. Modern Developments in Catalysis Vol 2. , pp. 327-376., (10.1142/9781800612013_0009)
2022
- Silveri, F., Quesne, M. G., Viñes, F., Illas, F., Catlow, C. R. A. and de Leeuw, N. H. 2022. Catalytic reduction of carbon dioxide on the (001), (011), and (111) surfaces of TiC and ZrC: a computational study. Journal of Physical Chemistry C 126(11), pp. 5138–5150. (10.1021/acs.jpcc.1c10180)
- Qi, G. et al. 2022. Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2. Nature Catalysis 5 (10.1038/s41929-021-00725-8)
2021
- Negahdar, L. et al. 2021. Elucidating the significance of copper and nitrate speciation in Cu-SSZ-13 for N2O formation during NH3-SCR. ACS Catalysis 11(21), pp. 13091–13101. (10.1021/acscatal.1c03174)
- Ortmayer, M. et al. 2021. A noncanonical tryptophan analogue reveals an active site hydrogen bond controlling ferryl reactivity in a heme peroxidase. JACS Au 1(7) (10.1021/jacsau.1c00145)
- Quesne, M., Catlow, C. R. A. and De Leeuw, N. H. 2021. How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study. Faraday Discussions 230, pp. 87-99. (10.1039/D1FD00004G)
- Greer, A. J. et al. 2021. Combined experimental and theoretical study of the competitive absorption of CO2 and NO2 by a superbase ionic liquid. ACS Sustainable Chemistry and Engineering 9(22), pp. 7578–7586. (10.1021/acssuschemeng.1c01451)
2020
- Higham, M., Quesne, M. G. and Catlow, C. R. A. 2020. Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces. Dalton Transactions 49(25), pp. 8478–8497. (10.1039/D0DT00754D)
- Ramogayana, B., Santos-Carballal, D., Aparicio, P. A., Quesne, M. G., Maenetja, K. P., Ngoepe, P. E. and de Leeuw, N. H. 2020. Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1−xMn2O4 1 spinel (0.000 < x < 0.375): a DFT+U-D3 study. Physical Chemistry Chemical Physics 22(12), article number: Phys. Chem. Chem. Phys., 2020,22, 6763-6771. (10.1039/C9CP05658K)
- Delarmelina, M., Quesne, M. G. and Catlow, C. R. A. 2020. Modelling the bulk properties of ambient pressure polymorphs of zirconia. Physical Chemistry Chemical Physics 22(12), pp. 6660-6676. (10.1039/D0CP00032A)
2019
- Quesne, M. G. and de Visser, S. P. 2019. The quest for accurate theoretical models of metalloenzymes: An aid to experiment. In: Broclawik, E., Borowski, T. and Radoń, M. eds. Transition Metals in Coordination Environments. Challenges and Advances in Computational Chemistry and Physics., Vol. 29. Challenges and Advances in Computational Chemistry and Physics, pp. 439-462., (10.1007/978-3-030-11714-6_14)
- Quesne, M. G., Silveri, F., De Leeuw, N. H. and Catlow, C. R. A. 2019. Advances in sustainable catalysis: a computational perspective. Frontiers in Chemistry 7, article number: 182. (10.3389/fchem.2019.00182)
- Silveri, F., Quesne, M. G., Roldan Martinez, A., De Leeuw, N. H. and Catlow, C. R. A. 2019. Hydrogen adsorption on transition metal carbides: a DFT study. Physical Chemistry Chemical Physics 21(10), pp. 5335-5343. (10.1039/C8CP05975F)
- Botha, L. M., Santos-Carballal, D., Terranova, U., Quesne, M. G., Ungerer, M. J., van Sittert, C. G. C. E. and De Leeuw, N. H. 2019. Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy. RSC Advances 9(30), pp. 16948-16954. (10.1039/C9RA02320H)
- Greer, A. J., Taylor, S. F. R., Daly, H., Quesne, M., Catlow, C. R. A., Jacquemin, J. and Hardacre, C. 2019. Investigating the effect of NO on the capture of CO2 using superbase ionic liquids for flue gas applications. ACS Sustainable Chemistry and Engineering 7(3), pp. 3567-3574. (10.1021/acssuschemeng.8b05870)
- Quesne, M. G., Roldan Martinez, A., de Leeuw, N. H. and Catlow, C. R. A. 2019. Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study. Physical Chemistry Chemical Physics 21(20), pp. 10750-10750. (10.1039/C9CP00924H)
2018
- Timmins, A., Quesne, M. G., Borowski, T. and de Visser, S. P. 2018. Group transfer to an aliphatic bond: a biomimetic study inspired by nonheme iron halogenases. ACS Catalysis 8(9), pp. 8685-8698. (10.1021/acscatal.8b01673)
- Kluza, A. et al. 2018. Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. Journal of Structural Biology 202(3), pp. 229-235. (10.1016/j.jsb.2018.01.007)
- Quesne, M., Roldan Martinez, A., De Leeuw, N. and Catlow, C. R. A. 2018. Bulk and surface properties of metal carbides: implications for catalysis. Physical Chemistry Chemical Physics 20, pp. 6905-6916. (10.1039/C7CP06336A)
2016
- Yang, T., Quesne, M., Neu, H. M., Cantú Reinhard, F. G., Goldberg, D. P. and de Visser, S. P. 2016. Singlet versus triplet reactivity in an Mn(V)-oxo species: testing theoretical predictions against experimental evidence. Journal of the American Chemical Society 138(38), pp. 12375-12386. (10.1021/jacs.6b05027)
- Tchesnokov, E. et al. 2016. An iron-oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase. Chemical Communications- Royal Society of Chemistry 52(57), pp. 8814-8817. (10.1039/C6CC03904A)
- Faponle, A. S., Quesne, M. and De Visser, S. P. 2016. Origin of the regioselective fatty acid hydroxylation versus decarboxylation by a cytochrome P450 peroxygenase: What drives the reaction to biofuel production?. Chemistry - a European Journal 22(16), pp. 5478-5483. (10.1002/chem.201600739)
- Quesne, M., Senthilnathan, D., Singh, D., Kumar, D., Maldivi, P., Sorokin, A. and De Visser, S. P. 2016. Origin of the enhanced reactivity of μ-nitrido-bridged diiron (IV)-oxo porphyrinoid complexes over cytochrome P450 Compound I. ACS Catalysis 6(4), pp. 2230-2243. (10.1021/acscatal.5b02720)
- Quesne, M., Borowski, T. and De visser, S. 2016. Quantum mechanics/molecular mechanics modeling of enzymatic processes: caveats and breakthroughs. Chemistry - a European Journal 22(8), pp. 2562-2581. (10.1002/chem.201503802)
2015
- Quesne, M., Faponle, A. S., Goldberg, D. P. and De visser, S. P. 2015. Catalytic function and mechanism of heme and nonheme iron(IV)–oxo complexes in nature. In: Swart, M. and Costas, M. eds. Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity. Chichester: John Wiley & Sons, (10.1002/9781118898277.ch9)
- Borowski, T., Quesne, M. and Szaleniec, M. 2015. QM and QM/MM methods compared: case studies on reaction mechanisms of metalloenzymes. In: Advances in Protein Chemistry and Structural Biology: Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions. Advances in Protein Chemistry and Structural Biology Vol. 100. Amsterdam: Elsevier, pp. 187-224., (10.1016/bs.apcsb.2015.06.005)
- Ji, L. et al. 2015. Drug metabolism by cytochrome P450 enzymes: what distinguishes the pathways leading to substrate hydroxylation over desaturation?. Chemistry - a European Journal 21(25), pp. 9083-9092. (10.1002/chem.201501444)
- Hernandez-Ortega, A., Quesne, M., Bui, S., Heyes, D., Steiner, R., Scrutton, N. and De visser, S. 2015. Catalytic mechanism of cofactor-free dioxygenases and how they circumvent spin-forbidden oxygenation of their substrates. Journal of the American Chemical Society 137(23), pp. 7474-7487. (10.1021/jacs.5b03836)
- Sahoo, D., Quesne, M., De Visser, S. and Prasad Rath, S. 2015. Hydrogen-bonding interactions trigger a spin-flip in iron(III) porphyrin complexes. Angewandte Chemie -International Edition in English- 54(16), pp. 4796-4800. (10.1002/ang.201411399)
- Draksharapu, A. et al. 2015. Identification and spectroscopic characterization of nonheme iron(III) hypochlorite intermediates. Angewandte Chemie -International Edition in English- 54(14), pp. 4357-4361. (10.1002/anie.201411995)
- Faponle, A. S., Quesne, M., Sastri, C. V., Banse, F. and De visser, S. P. 2015. Differences and comparisons of the properties and reactivities of iron(III)–hydroperoxo complexes with saturated coordination sphere. Chemistry - a European Journal 21(3), pp. 1221-1236. (10.1002/chem.201404918)
2014
- Neu, H. et al. 2014. Dramatic influence of an anionic donor on the oxygen-atom transfer reactivity of an MnV–oxo complex. Chemistry - a European Journal 20(45), pp. 14584-14588. (10.1002/chem.201404349)
- Jastrzebski, R., Quesne, M., Weckhuysen, B. M., De visser, S. P. and Bruijinicx, P. C. A. 2014. Experimental and computational evidence for the mechanism of intradiol catechol dioxygenation by non-heme iron(III) complexes. Chemistry - a European Journal 20(48), pp. 15686-15691. (10.1002/chem.201404988)
- Hernandez-Ortega, A. et al. 2014. 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. Journal of Biological Chemistry 289(12), pp. 8620-8632. (10.1074/jbc.M113.543033)
- De visser, S. P., Quesne, M., Martin, B. and Comba, P. 2014. Computational modelling of oxygenation processes in enzymes and biomimetic model complexes. Chemical Communications- Royal Society of Chemistry 50(3), pp. 262-282. (10.1039/C3CC47148A)
- Quesne, M., Latifi, R., Gonzalez, L. E., Kumar, D. and De visser, S. P. 2014. Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymes. Chemistry - a European Journal 20(2), pp. 435-446. (10.1002/chem.201303282)
- Sahu, S. et al. 2014. Direct observation of a nonheme iron(IV)–oxo complex that mediates aromatic C–F hydroxylation. Journal of the American Chemical Society 136(39), pp. 13542-13545. (10.1021/ja507346t)
- Neu, H. et al. 2014. Oxygen-atom transfer reactivity of axially ligated Mn(V)−oxo complexes: Evidence for enhanced electrophilic and nucleophilic pathways. Journal of the American Chemical Society 136(39), pp. 13845-13852. (10.1021/ja507177h)
2013
- Sahu, S. et al. 2013. Secondary coordination sphere influence on the reactivity of nonheme iron(II) complexes: an experimental and DFT approach. Journal of the American Chemical Society 135(29), pp. 10590-10593. (10.1021/ja402688t)
- De Visser, S. P., Porro, C. S., Quesne, M., Mala, A. and Munro, A. W. 2013. Overview on theoretical studies discriminating the two-oxidant versus two-state-reactivity models for substrate monoxygenation by cytochrome P450 enzymes. Current Topics in Medicinal Chemistry 13(18), pp. 2218-2232. (10.2174/15680266113136660155)
2012
- Gonzalez, L. E., Quesne, M., Kumar, D., Goldberg, D. P. and De visser, S. P. 2012. Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes. Organic & Biomolecular Chemistry 10(28), pp. 5401-5409. (10.1039/c2ob25406a)
- Quesne, M. and De visser, S. P. 2012. Regioselectivity of substrate hydroxylation versus halogenation by a nonheme iron(IV)-oxo complex: possibility of rearrangement pathways. Journal of Biological Inorganic Chemistry 17(6), pp. 841-852. (10.1007/s00775-012-0901-4)
Adrannau llyfrau
- Quesne, M. G., Higham, M. D. and Catlow, R. 2023. Advances in modelling reaction mechanisms: bridging the gap between homogeneous and heterogeneous catalysis. In: Hutchings, G. et al. eds. Modern Developments in Catalysis Vol 2. , pp. 327-376., (10.1142/9781800612013_0009)
- Quesne, M. G. and de Visser, S. P. 2019. The quest for accurate theoretical models of metalloenzymes: An aid to experiment. In: Broclawik, E., Borowski, T. and Radoń, M. eds. Transition Metals in Coordination Environments. Challenges and Advances in Computational Chemistry and Physics., Vol. 29. Challenges and Advances in Computational Chemistry and Physics, pp. 439-462., (10.1007/978-3-030-11714-6_14)
- Quesne, M., Faponle, A. S., Goldberg, D. P. and De visser, S. P. 2015. Catalytic function and mechanism of heme and nonheme iron(IV)–oxo complexes in nature. In: Swart, M. and Costas, M. eds. Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity. Chichester: John Wiley & Sons, (10.1002/9781118898277.ch9)
- Borowski, T., Quesne, M. and Szaleniec, M. 2015. QM and QM/MM methods compared: case studies on reaction mechanisms of metalloenzymes. In: Advances in Protein Chemistry and Structural Biology: Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions. Advances in Protein Chemistry and Structural Biology Vol. 100. Amsterdam: Elsevier, pp. 187-224., (10.1016/bs.apcsb.2015.06.005)
Erthyglau
- Stacey, E., Quesne, M. G. and Catlow, R. 2023. Computational investigation of the structures and energies of microporous materials.. Microporous and Mesoporous Materials 358, article number: 112382. (10.1016/j.micromeso.2022.112382)
- Catlow, C. R. A., Chutia, A. and Quesne, M. G. 2023. Computational modelling in catalytic science. Physical Chemistry Chemical Physics 25(31), pp. 20775-20776. (10.1039/D3CP90127K)
- Gianolio, D. et al. 2023. Interfacial chemistry in the electrocatalytic hydrogenation of CO2 over C‑supported Cu-based systems. ACS Catalysis 13(9), pp. 5876-5895. (10.1021/acscatal.3c01288)
- Silveri, F., Quesne, M. G., Viñes, F., Illas, F., Catlow, C. R. A. and de Leeuw, N. H. 2022. Catalytic reduction of carbon dioxide on the (001), (011), and (111) surfaces of TiC and ZrC: a computational study. Journal of Physical Chemistry C 126(11), pp. 5138–5150. (10.1021/acs.jpcc.1c10180)
- Qi, G. et al. 2022. Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2. Nature Catalysis 5 (10.1038/s41929-021-00725-8)
- Negahdar, L. et al. 2021. Elucidating the significance of copper and nitrate speciation in Cu-SSZ-13 for N2O formation during NH3-SCR. ACS Catalysis 11(21), pp. 13091–13101. (10.1021/acscatal.1c03174)
- Ortmayer, M. et al. 2021. A noncanonical tryptophan analogue reveals an active site hydrogen bond controlling ferryl reactivity in a heme peroxidase. JACS Au 1(7) (10.1021/jacsau.1c00145)
- Quesne, M., Catlow, C. R. A. and De Leeuw, N. H. 2021. How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study. Faraday Discussions 230, pp. 87-99. (10.1039/D1FD00004G)
- Greer, A. J. et al. 2021. Combined experimental and theoretical study of the competitive absorption of CO2 and NO2 by a superbase ionic liquid. ACS Sustainable Chemistry and Engineering 9(22), pp. 7578–7586. (10.1021/acssuschemeng.1c01451)
- Higham, M., Quesne, M. G. and Catlow, C. R. A. 2020. Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces. Dalton Transactions 49(25), pp. 8478–8497. (10.1039/D0DT00754D)
- Ramogayana, B., Santos-Carballal, D., Aparicio, P. A., Quesne, M. G., Maenetja, K. P., Ngoepe, P. E. and de Leeuw, N. H. 2020. Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1−xMn2O4 1 spinel (0.000 < x < 0.375): a DFT+U-D3 study. Physical Chemistry Chemical Physics 22(12), article number: Phys. Chem. Chem. Phys., 2020,22, 6763-6771. (10.1039/C9CP05658K)
- Delarmelina, M., Quesne, M. G. and Catlow, C. R. A. 2020. Modelling the bulk properties of ambient pressure polymorphs of zirconia. Physical Chemistry Chemical Physics 22(12), pp. 6660-6676. (10.1039/D0CP00032A)
- Quesne, M. G., Silveri, F., De Leeuw, N. H. and Catlow, C. R. A. 2019. Advances in sustainable catalysis: a computational perspective. Frontiers in Chemistry 7, article number: 182. (10.3389/fchem.2019.00182)
- Silveri, F., Quesne, M. G., Roldan Martinez, A., De Leeuw, N. H. and Catlow, C. R. A. 2019. Hydrogen adsorption on transition metal carbides: a DFT study. Physical Chemistry Chemical Physics 21(10), pp. 5335-5343. (10.1039/C8CP05975F)
- Botha, L. M., Santos-Carballal, D., Terranova, U., Quesne, M. G., Ungerer, M. J., van Sittert, C. G. C. E. and De Leeuw, N. H. 2019. Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy. RSC Advances 9(30), pp. 16948-16954. (10.1039/C9RA02320H)
- Greer, A. J., Taylor, S. F. R., Daly, H., Quesne, M., Catlow, C. R. A., Jacquemin, J. and Hardacre, C. 2019. Investigating the effect of NO on the capture of CO2 using superbase ionic liquids for flue gas applications. ACS Sustainable Chemistry and Engineering 7(3), pp. 3567-3574. (10.1021/acssuschemeng.8b05870)
- Quesne, M. G., Roldan Martinez, A., de Leeuw, N. H. and Catlow, C. R. A. 2019. Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study. Physical Chemistry Chemical Physics 21(20), pp. 10750-10750. (10.1039/C9CP00924H)
- Timmins, A., Quesne, M. G., Borowski, T. and de Visser, S. P. 2018. Group transfer to an aliphatic bond: a biomimetic study inspired by nonheme iron halogenases. ACS Catalysis 8(9), pp. 8685-8698. (10.1021/acscatal.8b01673)
- Kluza, A. et al. 2018. Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. Journal of Structural Biology 202(3), pp. 229-235. (10.1016/j.jsb.2018.01.007)
- Quesne, M., Roldan Martinez, A., De Leeuw, N. and Catlow, C. R. A. 2018. Bulk and surface properties of metal carbides: implications for catalysis. Physical Chemistry Chemical Physics 20, pp. 6905-6916. (10.1039/C7CP06336A)
- Yang, T., Quesne, M., Neu, H. M., Cantú Reinhard, F. G., Goldberg, D. P. and de Visser, S. P. 2016. Singlet versus triplet reactivity in an Mn(V)-oxo species: testing theoretical predictions against experimental evidence. Journal of the American Chemical Society 138(38), pp. 12375-12386. (10.1021/jacs.6b05027)
- Tchesnokov, E. et al. 2016. An iron-oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase. Chemical Communications- Royal Society of Chemistry 52(57), pp. 8814-8817. (10.1039/C6CC03904A)
- Faponle, A. S., Quesne, M. and De Visser, S. P. 2016. Origin of the regioselective fatty acid hydroxylation versus decarboxylation by a cytochrome P450 peroxygenase: What drives the reaction to biofuel production?. Chemistry - a European Journal 22(16), pp. 5478-5483. (10.1002/chem.201600739)
- Quesne, M., Senthilnathan, D., Singh, D., Kumar, D., Maldivi, P., Sorokin, A. and De Visser, S. P. 2016. Origin of the enhanced reactivity of μ-nitrido-bridged diiron (IV)-oxo porphyrinoid complexes over cytochrome P450 Compound I. ACS Catalysis 6(4), pp. 2230-2243. (10.1021/acscatal.5b02720)
- Quesne, M., Borowski, T. and De visser, S. 2016. Quantum mechanics/molecular mechanics modeling of enzymatic processes: caveats and breakthroughs. Chemistry - a European Journal 22(8), pp. 2562-2581. (10.1002/chem.201503802)
- Ji, L. et al. 2015. Drug metabolism by cytochrome P450 enzymes: what distinguishes the pathways leading to substrate hydroxylation over desaturation?. Chemistry - a European Journal 21(25), pp. 9083-9092. (10.1002/chem.201501444)
- Hernandez-Ortega, A., Quesne, M., Bui, S., Heyes, D., Steiner, R., Scrutton, N. and De visser, S. 2015. Catalytic mechanism of cofactor-free dioxygenases and how they circumvent spin-forbidden oxygenation of their substrates. Journal of the American Chemical Society 137(23), pp. 7474-7487. (10.1021/jacs.5b03836)
- Sahoo, D., Quesne, M., De Visser, S. and Prasad Rath, S. 2015. Hydrogen-bonding interactions trigger a spin-flip in iron(III) porphyrin complexes. Angewandte Chemie -International Edition in English- 54(16), pp. 4796-4800. (10.1002/ang.201411399)
- Draksharapu, A. et al. 2015. Identification and spectroscopic characterization of nonheme iron(III) hypochlorite intermediates. Angewandte Chemie -International Edition in English- 54(14), pp. 4357-4361. (10.1002/anie.201411995)
- Faponle, A. S., Quesne, M., Sastri, C. V., Banse, F. and De visser, S. P. 2015. Differences and comparisons of the properties and reactivities of iron(III)–hydroperoxo complexes with saturated coordination sphere. Chemistry - a European Journal 21(3), pp. 1221-1236. (10.1002/chem.201404918)
- Neu, H. et al. 2014. Dramatic influence of an anionic donor on the oxygen-atom transfer reactivity of an MnV–oxo complex. Chemistry - a European Journal 20(45), pp. 14584-14588. (10.1002/chem.201404349)
- Jastrzebski, R., Quesne, M., Weckhuysen, B. M., De visser, S. P. and Bruijinicx, P. C. A. 2014. Experimental and computational evidence for the mechanism of intradiol catechol dioxygenation by non-heme iron(III) complexes. Chemistry - a European Journal 20(48), pp. 15686-15691. (10.1002/chem.201404988)
- Hernandez-Ortega, A. et al. 2014. 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. Journal of Biological Chemistry 289(12), pp. 8620-8632. (10.1074/jbc.M113.543033)
- De visser, S. P., Quesne, M., Martin, B. and Comba, P. 2014. Computational modelling of oxygenation processes in enzymes and biomimetic model complexes. Chemical Communications- Royal Society of Chemistry 50(3), pp. 262-282. (10.1039/C3CC47148A)
- Quesne, M., Latifi, R., Gonzalez, L. E., Kumar, D. and De visser, S. P. 2014. Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymes. Chemistry - a European Journal 20(2), pp. 435-446. (10.1002/chem.201303282)
- Sahu, S. et al. 2014. Direct observation of a nonheme iron(IV)–oxo complex that mediates aromatic C–F hydroxylation. Journal of the American Chemical Society 136(39), pp. 13542-13545. (10.1021/ja507346t)
- Neu, H. et al. 2014. Oxygen-atom transfer reactivity of axially ligated Mn(V)−oxo complexes: Evidence for enhanced electrophilic and nucleophilic pathways. Journal of the American Chemical Society 136(39), pp. 13845-13852. (10.1021/ja507177h)
- Sahu, S. et al. 2013. Secondary coordination sphere influence on the reactivity of nonheme iron(II) complexes: an experimental and DFT approach. Journal of the American Chemical Society 135(29), pp. 10590-10593. (10.1021/ja402688t)
- De Visser, S. P., Porro, C. S., Quesne, M., Mala, A. and Munro, A. W. 2013. Overview on theoretical studies discriminating the two-oxidant versus two-state-reactivity models for substrate monoxygenation by cytochrome P450 enzymes. Current Topics in Medicinal Chemistry 13(18), pp. 2218-2232. (10.2174/15680266113136660155)
- Gonzalez, L. E., Quesne, M., Kumar, D., Goldberg, D. P. and De visser, S. P. 2012. Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes. Organic & Biomolecular Chemistry 10(28), pp. 5401-5409. (10.1039/c2ob25406a)
- Quesne, M. and De visser, S. P. 2012. Regioselectivity of substrate hydroxylation versus halogenation by a nonheme iron(IV)-oxo complex: possibility of rearrangement pathways. Journal of Biological Inorganic Chemistry 17(6), pp. 841-852. (10.1007/s00775-012-0901-4)