Hub I Publications

Research 2013 – 2018

Click on the links below to view publications by research theme

• Biocatalysis,
• Design,
• Energy,
• Environment,
• Transformations,

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Biocatalysis

2023

Lear, Abbie, Anderson, J. L. Ross, Hilvert, Donald, Arcus, Vickery L., van der Kamp, Marc W., Bunzel, H. Adrian, Mulholland, Adrian J., Comment on: Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme, ACS Catal. 2023, 13, 15, 10527–10530, DOI: https://doi.org/10.1021/acscatal.3c01906

2022

Hirvonen, Viivi, Moshe Weizmann, Tal, Mulholland, Adrian, Spencer, James, van der Kamp, Marc, Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 β-lactamase, ACS Catal. 2022, 12, 8, 4534–4544, DOI: https://doi.org/10.1021/acscatal.1c05694.

Ma, Yujie, Lu, Wanpeng, Han, Xue, Chen, Yinlin, da Silva, Ivan, Lee, Daniel, Sheveleva, Alena M., Wang, Zi, Li, Jiangnan, Li, Weiyao, Fan, Mengtian, Xu, Shaojun, Tuna, Floriana, McInnes, Eric J. L., Cheng, Yongqiang, Rudić, Svemir, Manuel, Pascal, Frogley, Mark D., Ramirez-Cuesta, Anibal J., Schröder, Martin, Yang, Sihai, Direct Observation of Ammonia Storage in UiO-66 Incorporating Cu(II) Binding Sites, J. Am. Chem. Soc. 2022, 144, 19, 8624–8632, DOI: https://doi.org/10.1021/jacs.2c00952

2021

Suardíaz, Reynier, Lythell, Emily, Hinchliffe, Philip, van der Kamp, Marc, Spencer, James, Fey, Natalie, Mulholland, Adrian J., Catalytic mechanism of the colistin resistance protein MCR-1, Org. Biomol. Chem., 2021,19, 3813-3819, DOI: https://doi.org/10.1039/D0OB02566F 

Bunzel, H. Adrian, Anderson, J. L. Ross, Hilvert, Donald, Arcus, Vickery L., van der Kamp, Marc W., Mulholland, Adrian J., Evolution of dynamical networks enhances catalysis in a designer enzyme, Nature Chemistry volume 13, pages 1017–1022 (2021), DOI: 10.1038/s41557-021-00763-6 

Gautom, Trishnamoni, Dheeman, Dharmendra, Levy, Colin, Butterfield, Thomas, Alvarez Gonzalez, Guadalupe, Le Roy, Philip, Caiger, Lewis, Fisher, Karl, Johannissen, Linus, Dixon, Neil, Structural basis of terephthalate recognition by solute binding protein TphC, Nat Commun 12, 6244 (2021). https://doi.org/10.1038/s41467-021-26508-0 

Yang, Zongfan, Twidale, Rebecca M., Gervasoni, Silvia, Suardíaz, Reynier, Colenso, Charlotte K., Lang, Eric J. M., Spencer, James, Mulholland, Adrian J., Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins, J. Chem. Inf. Model. 2021, 61, 11, 5658–5672, DOI: https://doi.org/10.1021/acs.jcim.1c01109  

Peñafiel, Itziar; Cosgrove, Sebastian C., Biocatalysis in Flow for Drug Discovery, In: Alcazar, J., de la Hoz, A., Díaz-Ortiz, A. (eds) Flow Chemistry in Drug Discovery. Topics in Medicinal Chemistry, vol 38. Springer, Cham, DOI: https://doi.org/10.1007/7355_2021_116

2020

Kirill Zinovjev, Marc W van der Kamp, Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible, Bioinformatics, July 2020, btaa643,DOI: https://doi.org/10.1093/bioinformatics/btaa643

Taday, Freya; Ryan, James; Argent, Stephen P.; Caprio, Vittorio; Maciá, Beatriz; O’Reilly, Elaine, Asymmetric Construction of Alkaloids by Employing a Key ω‐Transaminase Cascade, Chemistry A European Journal, Volume26, Issue 17, March 23, 2020, Pages 3729-3732DOI: https://doi.org/10.1002/chem.202000067

Mary Ortmayer, Karl Fisher, Jaswir Basran, Emmanuel M. Wolde-Michael, Derren J. Heyes, Colin Levy, Sarah L. Lovelock, J. L. Ross Anderson, Emma L. Raven, Sam Hay, Stephen E. J. Rigby, Anthony P. Green, Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code, ACS Catal. 2020, 10, 4, 2735-2746, Publication Date: January 29, 2020, DOI: https://doi.org/10.1021/acscatal.9b05129

Juan Mangas-Sanchez, Mahima Sharma, Sebastian C. Cosgrove, Jeremy I. Ramsden, James R. Marshall, Thomas W. Thorpe, Ryan B. Palmer, Gideon Grogan and Nicholas J. Turner, Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases,, Chem. Sci., 2020, 11, 5052-5057, DOI: 10.1039/D0SC02253E

Viivi H. A. Hirvonen, Adrian J. Mulholland, James Spencer, and Marc W. van der Kamp, Small Changes in Hydration Determine Cephalosporinase Activity of OXA-48 β-Lactamases, ACS Catal. 2020, 10, 11, 6188–6196, DOI: https://doi.org/10.1021/acscatal.0c00596;

Valikhani, Donya, Srivastava, Prabhakar Lal, Allemann, Rudolf K., Wirth, Thomas, Immobilised Enzymes for Sesquiterpene Synthesis in Batch and Flow Systems, ChemCatChem, Volume12, Issue8, April 20, 2020, Pages 2194-2197, DOI: https://doi.org/10.1002/cctc.201902135;

Lythell, Emily, Suardíaz, Reynier, Hinchliffe, Philip, Hanpaibool, Chonnikan, Visitsatthawong, Surawit, Oliveira, A. Sofia F., Lang, Eric J. M., Surawatanawong, Panida, Lee, Vannajan Sanghiran, Rungrotmongkol, Thanyada, Fey, Natalie, Spencer, James, Mulholland, Adrian J., Resistance to the “last resort” antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes, Chem. Commun., 2020,56, 6874-6877, DOI: DOI https://doi.org/10.1039/D0CC02520H; 

Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulholland, Adrian J., Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes, PeerJ Physical Chemistry 2:e8 https://doi.org/10.7717/peerj-pchem.8; 

Arcus, Vickery L, van der Kamp, Marc W, Pudney, Christopher R, Mulholland, Adrian J, Enzyme evolution and the temperature dependence of enzyme catalysis, Current Opinion in Structural Biology, Volume 65, 2020, Pages 96-101, DOI: https://doi.org/10.1016/j.sbi.2020.06.001.

Kwon, Hanna, Basran, Jaswir, Devos, Juliette M., Suardíaz, Reynier, van der Kamp, Marc W., Mulholland, Adrian J., Schrader, Tobias E., Ostermann, Andreas, Blakeley, Matthew P., Moody, Peter C. E., Raven, Emma L., Visualizing the protons in a metalloenzyme electron proton transfer pathway, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES, Vol. 117 | No. 12, March 24, 2020, DOI: https://doi.org/10.1002/anie.202312645

2019

Chen, Fei-Fei; Cosgrove, Sebastian C.; Birmingham, William R.; Mangas-Sanchez, Juan; Citoler, Joan; Thompson, Matthew P.; Zheng, Gao-Wei; Xu, Jian-He; Turner, Nicholas J., Enantioselective Synthesis of Chiral Vicinal Amino Alcohols Using Amine Dehydrogenases, ACS Catal. 2019, 9, 12, 11813–11818 Publication Date:November 18, 2019, https://doi.org/10.1021/acscatal.9b03889

Cairns, Ryan; Gomm, Andrew; Ryan, James; et al., Conversion of Aldoses to Valuable ω-Amino Alcohols Using Amine Transaminase Biocatalysts, ACS CATALYSIS, Feb 2019, Volume: 9, Issue: 2, Pages: 1220-1223, DOI: 10.1021/acscatal.8b04564

Tooke, Catherine L.; Hinchliffe, Philip; Lang, Pauline A.; et al., Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam, ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, Volume: 63, Issue: 10, Article Number: e00564-19, Published: OCT 2019, DOI: 10.1128/AAC.00564-19

Bunzel, H. Adrian; Kries, Hajo; Marchetti, Luca; et al., Emergence of a Negative Activation Heat Capacity during Evolution of a Designed Enzyme, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Volume: 141, Issue: 30 Pages: 11745-11748 Published: JUL 31 2019, DOI: 10.1021/jacs.9b02731

Ranaghan, Kara E.; Shchepanovska, Darya; Bennie, Simon J.; et al., Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Volume: 59, Issue: 5, Special Issue: SI, Pages: 2063-2078 Published: MAY 2019, DOI: 10.1021/acs.jcim.8b00940

Harry Eastman, Dr. James Ryan, Dr. Beatriz Maciá, Dr. Vittorio Caprio, Dr. Elaine O’Reilly, Alcohol Dehydrogenase-Triggered Oxa-Michael Reaction for the Asymmetric Synthesis of Disubstituted Tetrahydropyrans and Tetrahydrofurans, ChemCatChem, Volume11, Issue16, Special Issue: Women of Catalysis, August 21, 2019, Pages 3760-3762, https://doi.org/10.1002/cctc.201900658

Hasan T. Imam, Amanda G. Jarvis, Veronica Celorrio, Irshad Baig, Christopher C. R. Allen, Andrew C. Marr, Paul C. J. Kamer, Catalytic and biophysical investigation of rhodium hydroformylase, Catal. Sci. Technol., Advance Article, Oct 2019, DOI: 10.1039/C9CY01679A

Gabriel A. Ascue Avalos, Dr. Helen S. Toogood, Shirley Tait, Dr. Hanan L. Messiha, Prof. Nigel S. Scrutton, From Bugs to Bioplastics: Total (+) – Dihydrocarvide Biosynthesis by Engineered Escherichia coli, Chem Bio Chem, Volume20, Issue 6, March 15, 2019, Pages 785-792, https://doi.org/10.1002/cbic.201800606

Syed T.Ahmed, Nicole G.H. Leferink, Nigel S.Scrutton, Chemo-enzymatic routes towards the synthesis of bio-based monomers and polymers, Molecular Catalysis, Volume 467, April 2019, Pages 95-110, DOI: https://doi.org/10.1016/j.mcat.2019.01.036

Feng, Xuan, Bello, Davide, Lowe, Phillip T., Clark, Joshua, O’Hagan, David, Two 3′-O-β-glucosylated nucleoside fluorometabolites related to nucleocidin in Streptomyces calvus, Chemical Science, 2019, Volume: 10, Issue: 41, 9501-9505, DOI: 10.1039/c9sc03374b

Simon J. Bennie, Kara E. Ranaghan, Helen Deeks, Heather E. Goldsmith, Michael B. O’Connor, Adrian J. Mulholland, and David R. Glowacki, Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality, Journal of Chemical Education 2019 96 (11), 2488-2496, DOI: 10.1021/acs.jchemed.9b00181

Click on the links for previous years biocatalysis publications: 2018 2017

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Design

2023

Qiu, Chengwu, Odarchenko, Yaroslav, Meng, Qingwei, Dong, Hongyang, Gonzalez, Ines Lezcano, Panchal, Monik, Olalde-Velasco, Paul, Maccherozzi, Francesco, Zanetti-Domingues, Laura, Martin-Fernandez, Marisa L., Beale, Andrew M., Compositional Evolution of Individual CoNPs on Co/TiO₂ during CO and Syngas Treatment Resolved through Soft XAS/X-PEEM, ACS Catal. 2023, 13, 24, 15956–15966, November 28, 2023, DOI: https://doi.org/10.1021/acscatal.3c03214

2022

K. R. Parmar, A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, L. A. Fletcher, A. B. Ross, Co-Processing Lignocellulosic Biomass and Sewage Digestate by Hydrothermal Carbonisation: Influence of Blending on Product Quality, 2022, Energies, DOI: 10.3390/en15041418 journal-article

Arrigo, Rosa, Blume, Raoul, Large, Alexander Ian, Velasco-Vélez, Juan Jesus, Hävecker, Michael, Knop-Gericke, Axel, Held, Georg, Dynamics over a Cu–graphite electrode during the gas-phase CO₂ reduction investigated by APXPS, Faraday Discuss., 2022, Advance Article, DOI: https://doi.org/10.1039/D1FD00121C 

Hammerton, James M., Ross, Andrew B., Inorganic Salt Catalysed Hydrothermal Carbonisation (HTC) of Cellulose, Catalysts 2022, 12(5), 492, DOI: https://doi.org/10.3390/catal12050492

Brown, Aaron E., Hammerton, James M., Camargo-Valero, Miller Alonso, Ross, Andrew B., Integration of Hydrothermal Carbonisation and Anaerobic Digestion for the Energy Valorisation of Grass, Energies 2022, 15(10), 3495, DOI: https://doi.org/10.3390/en15103495

Chengwu Qiu, Yaroslav Odarchenko, Qingwei Meng, Shaojun Xu, Ines Lezcano-Gonzalez, Paul Olalde-Velasco, Francesco Maccherozzi, Laura Zanetti-Domingues, Marisa Martin-Fernandez, and Andrew M. Beale, Resolving the Effect of Oxygen Vacancies on Co Nanostructures Using Soft XAS/X-PEEM, ACS Catal. 2022, 12, 15, 9125–9134, July 14, 2022, DOI: https://doi.org/10.1021/acscatal.2c00611

Kynman, Amy E., Elghanayan, Luca K., Desnoyer, Addison N., Yang, Yan, Laurent Sévery, Di Giuseppe, Andrea, Tilley, T. Don, Maron, Laurent, Arnold, Polly L., Controlled monodefluorination and alkylation of C(sp³)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity, Chem. Sci., 2022,13, 14090-14100, DOI: https://doi.org/10.1039/D2SC04192H

Zachariou, Andrea; Hawkins, Alexander P.; Howe, Russell F.; Skakle, Janet M. S.; Barrow, Nathan; Collier, Paul; Nye, Daniel W.; Smith, Ronald I.; Stenning, Gavin B. G.; Parker, Stewart F.; Lennon, David, Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst, ACS Phys. Chem Au 2023, 3, 1, 74–83, 2022, DOI: https://doi.org/10.1021/acsphyschemau.2c00040

Hawkins, Alexander P.; Zachariou, Andrea; Silverwood, Ian P.; Yong, Chin; Collier, Paul; Todorov, Ilian; Howe, Russell F.; Parker, Stewart F.; Lennon, David, Combining quasielastic neutron scattering and molecular dynamics to study methane motions in ZSM-5, J. Chem. Phys. 157, 184702 (2022); DOI: https://doi.org/10.1063/5.0123434

2021

Rosa Arrigo, Takeo Sasaki, June Callison, Diego Gianolio, Manfred Erwin Schuster, Monitoring dynamics of defects and single Fe atoms in N-functionalized few-layer graphene by in situ temperature programmed scanning transmission electron microscopy, Journal of Energy Chemistry, Volume 64, 2022,Pages 520-530, DOI: https://doi.org/10.1016/j.jechem.2021.05.005;

Kerr, Ryan W. F.; Ewing, Paul M. D. A.; Raman, Sumesh K.; Smith, Andrew D.; Williams, Charlotte K.; Arnold, Polly L., Ultrarapid Cerium(III)–NHC Catalysts for High Molar Mass Cyclic Polylactide, ACS Catal. 2021, 11, 3, 1563–1569, DOI: https://doi.org/10.1021/acscatal.0c04858;

Omori, Naomi; Candeo, Alessia; Mosca, Sara; Lezcano-Gonzalez, Ines; Robinson, Ian K.; Li, Luxi; Greenaway, Alex G.; Collier, Paul; Beale, Andrew M., Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ-13 Crystals, Angew. Chem. Int. Ed. 2021, 60, 5125., DOI: https://doi.org/10.1002/anie.202015016.

Annath, Hamza; Manayil, Jinesh C.; Thompson, Jillian; Marr, Andrew C.; Raja, Robert, Contrasting structure-property relationships in amorphous, hierarchical and microporous aluminophosphate catalysts for Claisen-Schmidt condensation reactions, Applied Catalysis A: General,
Volume 627, 2021, 118376, DOI: https://doi.org/10.1016/j.apcata.2021.118376

Zachariou, Andrea; Hawkins, Alexander P.; Howe, Russell F.; Barrow, Nathan; Bradley, Jonathan; Collier, Paul; Lennon, David; Parker, Stewart F., A Spectroscopic Paradox: The Interaction of Methanol with ZSM-5 at Room Temperature, Top Catal 64, 672–684 (2021). DOI: https://doi.org/10.1007/s11244-021-01462-9

2020

Zachariou, A.; Hawkins, A.; Parker, S.F.; Lennon, D.; Howe, R.F., Neutron spectroscopy studies of methanol to hydrocarbons catalysis over ZSM-5, Catalysis Today, Available online 12 May 2020, In Press, DOI: https://doi.org/10.1016/j.cattod.2020.05.030;

Kang, Liqun; Wang, Bolun; Thetford, Adam; Wu, Ke; Danaie, Mohsen; He, Qian; Gibson, Emma; Sun, Ling-Dong; Asakura, Hiroyuki; Catlow, Richard; Wang, Feng Ryan, Design, Identification, and Evolution of a Surface Ruthenium(II/III) Single Site for CO Activation, Angewandte Chemie, 25 September 2020, DOI: https://doi.org/10.1002/anie.202008370;

Morteo-Flores, Fabian; Engel, Julien; Roldan, Alberto, Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 24 July 2020, Volume 378, Issue 2176, DOI: https://doi.org/10.1098/rsta.2020.0056;

I. Lezcano-Gonzalez, E. Campbell, A. E. J. Hoffman, M. Bocus, I. V. Sazanovich, M. Towrie, M. Agote-Aran, E. K. Gibson, A. Greenaway, K. De Wispelaere, V. Van Speybroeck & A. M. Beale, Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts, Nature Materials, volume 19, pages 1081–1087(2020), DOI: https://doi.org/10.1038/s41563-020-0800-y;

Grazia Malta, Simon A. Kondrat, Simon J. Freakley, David J. Morgan, Emma K. Gibson, Peter P. Wells, Matteo Aramini, Diego Gianolio, Paul B. J. Thompson, Peter Johnston and Graham J. Hutchings, In situ K-edge X-ray absorption spectroscopy of the ligand environment of single-site Au/C catalysts during acetylene hydrochlorination, Chem. Sci., 2020, Advance Article, DOI: https://doi.org/10.1039/D0SC02152K;

Arunabhiram Chutia, Adam Thetford, Michail Stamatakis and C. Richard A. Catlow, A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface, Phys. Chem. Chem. Phys., 2020, 22, 3620-3632, DOI: 10.1039/C9CP05476F;

Daniel Dervin, A. J. O’Malley, Marta Falkowska, Sarayute Chansai, Ian P. Silverwood, Christopher Hardacre and C. R. A. Catlow, Probing the dynamics and structure of confined benzene in MCM-41 based catalysts, Phys. Chem. Chem. Phys., 2020, Advance Article, DOI: https://doi.org/10.1039/D0CP01196G;

Alexander P. Hawkins, Andrea Zachariou, Stewart F. Parker, Paul Collier, Ian P. Silverwood, Russell F. Howe, David Lennon, Onset of Propene Oligomerization Reactivity in ZSM-5 Studied by Inelastic Neutron Scattering Spectroscopy, ACS Omega 2020, 5, 14, 7762-7770, March 30, 2020,DOI: https://doi.org/10.1021/acsomega.9b03503;

Dr. Miren Agote‐Arán, Dr. Rachel E. Fletcher, Dr. Martha Briceno, Dr. Anna B. Kroner, Dr. Igor V. Sazanovich, Prof. Ben Slater, Dr. María E. Rivas, Dr. Andrew W. J. Smith, Dr. Paul Collier, Dr. Inés Lezcano‐González, Prof. Andrew M. Beale, Implications of the Molybdenum Coordination Environment in MFI Zeolites on Methane Dehydroaromatisation Performance, Chem Cat Chem, Volume12, Issue 1, January 8, 2020, Pages 294-304 DOI: https://doi.org/10.1002/cctc.201901166/a>

Michael Bowker, Pip Hellier, Donato Decarolis, Diego Gianolio, Khaled M. H. Mohammed, Alex Stennerd, Thomas Huthwelker and Peter P. Wells, Al-doped Fe2O3 as a support for molybdenum oxide methanol oxidation catalysts, Phys. Chem. Chem. Phys., 2020, Advance Article, DOI: 10.1039/D0CP01192D;

Sebastiano Campisi, Carine E. Chan-Thaw, Lidia E. Chinchilla, Arunabhiram Chutia, Gianluigi A. Botton, Khaled M. H. Mohammed, Nikolaos Dimitratos, Peter P. Wells, and Alberto Villa, Dual-Site-Mediated Hydrogenation Catalysis on Pd/NiO: Selective Biomass Transformation and Maintenance of Catalytic Activity at Low Pd Loading, ACS Catal. 2020, 10, 10, 5483–5492, DOI: https://doi.org/10.1021/acscatal.0c00414;

Ivalina B. Minova, Santhosh K. Matam, Alex Greenaway, C. Richard A. Catlow, Mark D. Frogley, Gianfelice Cinque, Paul A. Wright and Russell F. Howe, Effects of crystal size on methanol to hydrocarbon conversion over single crystals of ZSM-5 studied by synchrotron infrared microspectroscopy, Phys. Chem. Chem. Phys., 2020, DOI: https://doi.org/10.1039/D0CP00704H;

A. Zachariou, A. P. Hawkins, P. Collier, R. F. Howe, S. F. Parker, D. Lennon, The Effect of Co-feeding Methyl Acetate on the H-ZSM5 Catalysed Methanol-to-Hydrocarbons Reaction, Topics in Catalysis, 2020, DOI: https://doi.org/10.1007/s11244-020-01258-3;

Andrea Zachariou, Alexander P. Hawkins, Paul Collier, Russell F. Howe, David Lennon, Stewart F. Parker, The Methyl Torsion in Unsaturated Compounds, ACS Omega 2020, 5, 6, 2755-2765, February 2020, DOI: https://doi.org/10.1021/acsomega.9b03351;

Matam, Santhosh K.; Moffat, Caitlin; Hellier, Pip; Bowker, Michael; Silverwood, Ian P.; Catlow, C. Richard A.; Jackson, S. David; Craswell, James; Wells, Peter P.; Parker, Stewart F.; Gibson, Emma K., Investigation of MoOx/Al2O3 under Cyclic Operation for Oxidative and Non-Oxidative Dehydrogenation of Propane, Catalysts 2020, 10(12), 1370, DOI: https://doi.org/10.3390/catal10121370;

Omori, Naomi; Candeo, Alessia; Mosca, Sara; Lezcano‐Gonzalez, Ines; Robinson, Ian K.; Li, Luxi; Greenaway, Alex G.; Collier, Paul; Beale, Andrew M., Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ-13 Crystals, Angew. Chem. Int. Ed. 2021, 60, 5125., DOI: https://doi.org/10.1002/anie.202015016;

Qiu, Chengwu; Odarchenko, Yaroslav; Meng, Qingwei; Cong, Peixi; Schoen, Martin A. W.; Kleibert, Armin; Forrest, Thomas; Beale, Andrew M., Direct observation of the evolving metal–support interaction of individual cobalt nanoparticles at the titania and silica interface, Chem. Sci., 2020,11, 13060-13070, DOI: https://doi.org/10.1039/D0SC03113E;

Rachel H. Blackmore, Maria Elena Rivas, Tugce Eralp Erden, Trung Dung Tran, Huw R. Marchbank, Dogan Ozkaya, Martha Briceno de Gutierrez, Alison Wagland, Paul Collier and Peter P. Wells, Understanding the mechanochemical synthesis of the perovskite LaMnO3 and its catalytic behaviour, Dalton Trans., 2020, 49, 232-240 DOI: 10.1039/C9DT03590G

Large, Alexander I.; Wahl, Sebastian; Abate, Salvatore; da Silva, Ivan; Delgado Jaen, Juan Jose; Pinna, Nicola; Held, Georg; Arrigo, Rosa, Investigations of Carbon Nitride-Supported Mn₃O₄ Oxide Nanoparticles for ORR, Catalysts 2020, 10(11), 1289; DOI: https://doi.org/10.3390/catal10111289

A. G. Greenaway, A. Marberger, A. Thetford, I. Lezcano-González, M. Agote-Arán, M. Nachtegaal, D. Ferri, O. Kröcher, C. R. A. .Catlow, A. M. Beale(2020). Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy, Chemical Science, vol. 11, issue 2, page 2. DOI: 10.1039/c9sc04905c.

B. Venezia, E. Cao, S. K. Matam, C. Waldron, G. Cibin, E. K. Gibson, S. Golunski, P. P. Wells, I. P. Silverwood, C. R. A. .Catlow, G. Sankar, A. Gavriilidis(2020). Silicon microfabricated reactor for operando XAS/DRIFTS studies of heterogeneous catalytic reactions, Catalysis Science & Technology, vol. 10, issue 23, page 23. DOI: 10.1039/d0cy01608j;

Godfrey, Ian J., Dent, Andrew J., Parkin, Ivan P., Maenosono, Shinya, Sankar, Gopinathan, Following the Formation of Silver Nanoparticles Using In Situ X-ray Absorption Spectroscopy, ACS Omega 2020, 5, 23, 13664–13671, Publication Date: June 4, 2020, https://doi.org/10.1021/acsomega.0c00697.

Nastase, Stefan A. F., Cnudde, Pieter, Vanduyfhuys, Louis, De Wispelaere, Kristof, Van Speybroeck, Veronique, Catlow, C. Richard A., Logsdail, Andrew J., Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations, CS Catal. 2020, 10, 15, 8904–8915, DOI: https://doi.org/10.1021/acscatal.0c01454

2019

Alex G. Greenaway, Adrian Marberger, Adam Thetford, Inés Lezcano-González, Miren Agote-Arán, Maarten Nachtegaal, Davide Ferri, Oliver Kröcher, C. Richard A. Catlow and Andrew M. Beale, Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy, (Edge Article) Chem. Sci., 2020, 11, 447-455 DOI: 10.1039/C9SC04905C

Ivalina B. Minova, Santhosh K. Matam, Alex Greenaway, C. Richard A. Catlow, Mark D. Frogley, Gianfelice Cinque, Paul A. Wright and Russell F. Howe, Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 Seen by Synchrotron Infrared Microspectroscopy, ACS Catal., 2019, 9, 6564-6570, June 17, 2019, https://doi.org/10.1021/acscatal.9b01820

Sumesh K. Raman,  Robert Raja,  Polly L. Arnold,  Matthew G. Davidson  and  Charlotte K. Williams,  Waste not, want not: CO2 (re)cycling into block polymers, Chem. Commun., 2019,55, 7315-7318, June 2019, DOI: 10.1039/C9CC02459J

Ellie K. Dann, Emma K. Gibson, Rachel H. Blackmore, C. Richard A. Catlow, Paul Collier, Arunabhiram Chutia, Tugce Eralp Erden, Christopher Hardacre, Anna Kroner, Maarten Nachtegaal, Agnes Raj, Scott M. Rogers, S. F. Rebecca Taylor, Paul Thompson, George F. Tierney, Constantinos D. Zeinalipour-Yazdi, Alexandre Goguet & Peter P. Wells, Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy, Nature Catalysis, volume 2, pages 157–163 (2019), https://www.nature.com/articles/s41929-018-0213-3

Zachariou, A; Hawkins, A; Lennon, D; Parker, SF; Suwardiyanto; Matam, SK; Catlow, CRA; Collier, P; Hameed, A; McGregor, J; Howe, RF, Investigation of ZSM-5 catalysts for dimethylether conversion using inelastic neutron scattering, APPLIED CATALYSIS A-GENERAL, Volume 569, 5 January 2019, Pages 1-7, DOI: https://doi.org/10.1016/j.apcata.2018.10.010

Miren Agote-Arán, Inés Lezcano-González, Alex G.Greenaway, Shusaku Hayama, Sofía Díaz-Moreno, Anna B.Kroner, Andrew M.Beale, Operando HERFD-XANES/XES studies reveal differences in the activity of Fe-species in MFI and CHA structures for the standard selective catalytic reduction of NO with NH3, Applied Catalysis, A: General, Volume 570, 25 January 2019, Pages 283-291, DOI: https://doi.org/10.1016/j.apcata.2018.11.026.

Hasliza Bahruji, Norli Abdullah, Scott Rogers, Peter Wells, Richard Catlow and Michael Bowker, Pd local structure and size correlations on the activity of Pd/ TiO2 for photocatalytic reforming of methanol, Phys. Chem. Chem. Phys., June 2019, 10.1039/C9CP00826H

Hasliza Bahruji, Michael Bowker and Philip R Davies, Influence of TiO2 structural properties on photocatalytic hydrogengas production, J. Chem. Sci.(2019) 131:33, https://doi.org/10.1007/s12039-019-1608-7

Matthew E. Potter, Lauren N. Riley1, Alice E. Oakley, Panashe M. Mhembere, June Callison and Robert Raja, The influence of porosity on nanoparticle formation in hierarchical aluminophosphates, Beilstein J. Nanotechnol. Sept 2019, 10, 1952–1957. doi:10.3762/bjnano.10.191

George F. Tierney, Donato Decarolis, Norli Abdullah, Scott M. Rogers, Shusaku Hayama, Martha Briceno de Gutierrez, Alberto Villa, C. Richard A. Catlow, Paul Collier, Nikolaos Dimitratos and Peter P. Wells, Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization, Nanoscale Adv., May 2019, 1, 2546-2552, DOI: 10.1039/C9NA00159J

Alexander P. Hawkins, Andrea Zachariou, Paul Collier, Russell A. Ewings, Russell F. Howe, Stewart F. Parker and David Lennon, Low-temperature studies of propene oligomerization in ZSM-5 by inelastic neutron scattering spectroscopy, RSC Adv., 2019, 9, 18785-18790, DOI: 10.1039/C9RA03568K

Yudao Qin, Xiaoyu Han, Srinivas Gadipelli, Jian Guo, Shijie Wu b, Liqun Kang, June Callison and Zhengxiao Guo, In situ synthesized low-PtCo@porous carbon catalyst for highly efficient hydrogen evolution, J. Mater. Chem. A, 2019, 7, 6543-6551, DOI: 10.1039/C8TA12263F

Stuart A. Bartlett, Emma V. Sackville, Emma K. Gibson, Veronica Celorrio, Peter P. Wells, Maarten Nachtegaal, Stafford W. Sheehan, Ulrich Hintermair, Evidence for tetranuclear bis-μ-oxo cubane species in molecular iridium-based water oxidation catalysts from XAS analysis, Chem. Commun., 2019, 55, 7832-7835, DOI: 10.1039/C9CC02088H

Shan Jiang, Harrison J. Cox, Evangelos I. Papaioannou, Chenyang Tang, Huiyu Liu, Billy J. Murdoch, Emma K. Gibson, Ian S. Metcalfe, John S. O. Evans and Simon K. Beaumont, Shape-persistent porous organic cage supported palladium nanoparticles as heterogeneous catalytic materials, Nanoscale, 2019, 11, 14929-14936, DOI: 10.1039/C9NR04553H

Stephanie Chapman, Dr. Alexander J. O’Malley, Dr. Ivana Miletto, Dr. Marina Carravetta, Dr. Paul Cox, Prof. Enrica Gianotti, Leonardo Marchese, Dr. Stewart F. Parker, Prof. Robert Raja, Integrated Theoretical and Empirical Studies for Probing Substrate–Framework Interactions in Hierarchical Catalysts, Chemistry A European Journal, Volume 25, Issue 42, July 25, 2019, Pages 9938-9947, https://doi.org/10.1002/chem.201901188

Pip Hellier, Peter P. Wells, Michael Bowker, Methanol oxidation over shell-core MOx/Fe2O3 (M=Mo, V, Nb) catalysts, Chinese Journal of Catalysis, 2019, Vol. 40 Issue (11): 1686-1692, DOI: S1872-2067(19)63350-4

Constantinos D. Zeinalipour-Yazdi and C. Richard A. Catlow, An experimental and computational IR and hybrid DFT-D3 study of the conformations of l-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid, Phys. Chem. Chem. Phys., 2019,21, 22331-22343, DOI: https://doi.org/10.1039/C9CP02968K

Michael Bowker, Methanol Synthesis from CO2 Hydrogenation, Chem Cat Chem, Volume 11, Issue 17, September 5, 2019, Pages 4238-4246, DOI: https://doi.org/10.1002/cctc.201900401

Dann, Ellie K., Gibson, Emma K., Catlow, C. Richard A., Celorrio, Verónica, Collier, Paul, Eralp, Tugce, Amboage, Monica, Hardacre, Christopher, Stere, Cristina E., Kroner, Anna, Raj, Agnes, Rogers, Scott, Goguet, Alexandre, Wells, Peter P., Combined spatially resolved operando spectroscopy: New insights into kinetic oscillations of CO oxidation on Pd/γ-Al2O3, Journal of Catalysis, 2019, Volume: 373, 201-208, DOI: 10.1016/j.jcat.2019.03.037

Ye, Guanghua, Wang, Haizhi, Zhou, Xinggui, Keil, Frerich J., Coppens, Marc-Olivier, Yuan, Weikang, Optimizing catalyst pore network structure in the presence of deactivation by coking, AIChE Journal, 2019, Volume: 65, Issue: 10, DOI: 10.1002/aic.16687

Yanbin Shen, Aref Mamakhel, Xi Liu, Thomas W. Hansen, Tommaso Tabanelli, Danilo Bonincontro, Bo B. Iversen, Laura Prati, Yongwang Li, J. W. Hans Niemantsverdriet, Graham Hutchings, Nikolaos Dimitratos, Alberto Villa and Ren Su, Promotion Mechanisms of Au Supported on TiO2 in Thermal- and Photocatalytic Glycerol Conversion, J. Phys. Chem. C 2019, 123, 32, 19734–19741, DOI: https://doi.org/10.1021/acs.jpcc.9b05475;

M. Agote-Arán, R. E. Fletcher, M. Briceno de Gutierrez, A. B. Kroner, I. V. Sazanovich, B. Slater, M. E. Rivas, A. J. Smith, P. Collier, I. Lezcano-González, A. M. Beale(2019). Implications of the Molybdenum Coordination Environment in MFI Zeolites on Methane Dehydroaromatisation Performance, ChemCatChem, vol. 12, issue 1, page 1. DOI: 10.1002/cctc.201901166.

N. Omori, A. G. Greenaway, M. Sarwar, P. Collier, G. Valentini, A. M. Beale, A. Candeo(2019). Understanding the Dynamics of Fluorescence Emission during Zeolite Detemplation Using Time Resolved Photoluminescence Spectroscopy, The Journal of Physical Chemistry C, vol. 124, issue 1, page 1. DOI: 10.1021/acs.jpcc.9b09050.

W. Jones, D. J. Martin, A. Caravaca, A. M. Beale, M. Bowker, T. Maschmeyer, G. Hartley, A. Masters(2019). A comparison of photocatalytic reforming reactions of methanol and triethanolamine with Pd supported on titania and graphitic carbon nitride, Applied Catalysis B: Environmental, vol. 240, page . DOI: 10.1016/j.apcatb.2017.01.042.

Zeinalipour-Yazdi, Constantinos D., Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces, Phys. Chem. Chem. Phys., 2019,21, 19365-19377, DOI: https://doi.org/10.1039/C9CP03934A

Guo, Zhongyuan, Li, Xin, Hu, Shen, Ye, Guanghua, Zhou, Xinggui, Coppens, Marc-Olivier, Understanding the Role of Internal Diffusion Barriers in Pt/Beta Zeolite Catalyzed Isomerization of n-Heptane, Angew. Chem. Int. Ed. 2020, 59, 1548. DOI: https://doi.org/10.1002/anie.201913660

Click on the links for previous years design publications: 2018, 2017, 2016, 2015, 2014, 2013

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Energy

2021

Veronica Celorrio, Andrew S. Leach, Haoliang Huang, Shusaku Hayama, Adam Freeman, David W. Inwood, David J. Fermin, and Andrea E. Russell, Relationship between Mn Oxidation State Changes and Oxygen Reduction Activity in (La,Ca)MnO3 as Probed by In Situ XAS and XES, ACS Catal. 2021, 11, XXX, 6431–6439, https://doi.org/10.1021/acscatal.1c00997

Huang, Haoliang; Nassr, Abu Bakr Ahmed Amine; Celorrio, Verónica; Gianolio, Diego; Hardacre, Christopher; Brett, Dan J. L.; Russell, Andrea E., Contrasting the EXAFS obtained under air and H2 environments to reveal details of the surface structure of Pt–Sn nanoparticles, Phys. Chem. Chem. Phys., 2021,23, 11738-11745, https://doi.org/10.1039/D1CP00979F

Celorrio, V.; Tiwari, D.; Calvillo, L.; Leach, A.; Huang, H.; Granozzi, G.; Alonso, J.A.; Aguadero, A.; Pinacca, R.M.; Russell, A.E.; Fermin, D.J., Electrocatalytic Site Activity Enhancement via Orbital Overlap in A₂MnRuO₇ (A = Dy³⁺, Ho³⁺, and Er³⁺) Pyrochlore Nanostructures, CS Appl. Energy Mater. 2021, 4, 1, 176–185, DOI: https://doi.org/10.1021/acsaem.0c02060

F.R. García-García, I.S. Metcalfe, Chemical looping dry reforming of methane using mixed oxides of iron and cerium: Operation window, Catalysis Communications, Volume 160, 2021, 106356, ISSN 1566-7367, DOI: https://doi.org/10.1016/j.catcom.2021.106356.

2020

Tang Son Nguyen, Paul McKeever, Miryam Arredondo-Arechavala, Yi-Chi Wang, Thomas J. A. Slater, Sarah J. Haigh, Andrew M. Beale and Jillian M. Thompson, Correlation of the ratio of metallic to oxide species with activity of PdPt catalysts for methane oxidation, Catal. Sci. Technol., 2020,10, 1408-1421, https://doi.org/10.1039/C9CY02371B

Stere, Cristina; Chansai, Sarayute; Gholami, Rahman; et al., A design of a fixed bed plasma DRIFTS cell for studying the NTP-assisted heterogeneously catalysed reactions, Catal. Sci. Technol., 2020,10, 1458-1466, https://doi.org/10.1039/D0CY00036A

Emma Freeman, Santosh Kumar, Veronica Celorrio, Min Su Park, Jong Hak Kim, David J. Fermin and Salvador Eslava, Strategies for the deposition of LaFeO3 photocathodes: improving the photocurrent with a polymer template, Sustainable Energy Fuels, 2020, 4, 884-894; https://doi.org/10.1039/C9SE01103J

K. Oster, A. A. Tedstone, A. J. Greer, N. Budgen, A. A. Garforth, C. Hardacre(2020). Dehydrochlorination of PVC in multi-layered blisterpacks using ionic liquids, Green Chemistry, vol. 22, issue 15, page 15. DOI: 10.1039/d0gc01312a.

S. Xu, S. Chansai, S. Xu, C. E. Stere, Y. Jiao, S. Yang, C. Hardacre, X. Fan(2020). CO Poisoning of Ru Catalysts in CO2 Hydrogenation under Thermal and Plasma Conditions: A Combined Kinetic and Diffuse Reflectance Infrared Fourier Transform Spectroscopy–Mass Spectrometry Study, ACS Catalysis, vol. 10, issue 21, page 21. DOI: 10.1021/acscatal.0c03620;

Freeman, Emma, Kumar, Santosh, Thomas, Sophie R., Pickering, Hayley, Fermin, David J., Eslava, Salvador, PrFeO3 Photocathodes Prepared Through Spray Pyrolysis, ChemElectroChem, Volume7, Issue 6, March 16, 2020, Pages 1365-1372, DOI: https://doi.org/10.1002/celc.201902005.

2019

Juan Carlos Calderón Gómez, Verónica Celorrio, Laura Calvillo, David Sebastián, Rafael Moliner and María Jesús Lázaro Elorri, Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation, Surfaces, 2019, 2(1), 1-15; https://doi.org/10.3390/surfaces2010001

Iunia Podolean, Octavian D.Pavel, Haresh G.Manyar, S.F. Rebecca Taylor, Kathryn Ralphs, Peter Goodrich, Vasile I.Pârvulescu, Christopher Hardacre, SCILLs as selective catalysts for the oxidation of aromatic alcohols, Catalysis Today, Volume 333, 1 August 2019, Pages 140-146, DOI: https://doi.org/10.1016/j.cattod.2018.07.014

Shaojun Xu, Sarayute Chansai, Cristina Stere, Burapat Inceesungvorn, Alexandre Goguet, Kanlayawat Wangkawong, S. F. Rebecca Taylor, Nadeen Al-Janabi, Christopher Hardacre, Philip A. Martin & Xiaolei Fan, Sustaining metal–organic frameworks for water–gas shift catalysis by non-thermal plasma, Nature Catalysis volume 2, pages142–148(2019), DOI: https://doi.org/10.1038/s41929-018-0206-2

Yang Su, Eric Prestat, Chengyi Hu, Vinod Kumar Puthiyapura, Mehdi Neek-Amal, Hui Xiao, Kun Huang, Vasyl G. Kravets, Sarah J. Haigh, Christopher Hardacre, Francois M. Peeters, Rahul R. Nair, Self-Limiting Growth of Two-Dimensional Palladium between Graphene Oxide Layers, Nano Lett. 2019, 19, 7, 4678-4683, https://doi.org/10.1021/acs.nanolett.9b01733

P. Clément, X. Xu, C. T. Stoppiello, G. A. Rance, A. Attanzio, J. N. O’Shea, R. H. Temperton, A. N. Khlobystov, K. R. J. .Lovelock, J. M. Seymour, R. M. Fogarty, A. Baker, R. A. Bourne, B. Hall, T. W. Chamberlain, M. Palma, Direct Synthesis of Multiplexed Metal‐Nanowire‐Based Devices by Using Carbon Nanotubes as Vector Templates, Angewandte Chemie Int. Ed. 2019, 58, 9928. DOI: https://doi.org/10.1002/anie.201902857

W. Jones, D. J. Martin, A. Caravaca, A. M. Beale, M. Bowker, T. Maschmeyer, G. Hartley, A. Masters(2019). A comparison of photocatalytic reforming reactions of methanol and triethanolamine with Pd supported on titania and graphitic carbon nitride, Applied Catalysis B: Environmental, vol. 240, page . DOI: 10.1016/j.apcatb.2017.01.042.

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Transformations

2023

Guo, Yanhui, Zulkifly, Ili, Soderman, Jennifer, Protchenko, Andrey V., Kolychev, Eugene L., Fuentes, M. Ángeles, Aldridge, Simon, Torsional Control of Frustrated Lewis Pair Behaviour Involving PNP-type Phosphines, Z. Anorg. Allg. Chem. 2023, 649, e202300016. DOI: https://doi.org/10.1002/zaac.202300016

2022

F. Y. T. .Lam, J. A. L. .Wells, T. Ochiai, C. J. V. .Halliday, K. N. McCabe, L. Maron, P. L. Arnold, A Combined Experimental and Theoretical Investigation of Arene-Supported Actinide and Ytterbium Tetraphenolate Complexes, 2022, Inorganic Chemistry DOI: 10.1021/acs.inorgchem.1c03365 journal-article

Zulkifly, Ili, Protchenko, Andrey V., Fuentes, M. Ángeles, Hicks, Jamie, Aldridge, Simon, Reactions of a Dimethylxanthene-Derived Frustrated Lewis Pair with Silanes and Stannanes, ZAAC, 2022, Early view of e202200110 edition, DOI: https://doi.org/10.1002/zaac.202200110

Lo, Quintin, Pye, Dominic, Gesslbauer, Sami, Sim, Ying, García, Felipe, White, Andrew J. P., Britovsek, George J. P., Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation, Catal. Sci. Technol., 2022, Advance Article, DOI: 10.1039/D2CY00550F

Booth, Anna C., Vasko, Petra, Fuentes, M. Ángeles Fuentes, Cornelissen, Bart, Faulkner, Stephen, Aldridge, Simon, Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride versus oxide chelation, Dalton Trans., 2022, 51, 15783-15791, DOI: 10.1039/D2DT02888C

2021

Gray, Steven J.; Brown, Karen; Lam, Francis Y. T.; Garden, Jennifer A.; Arnold, Polly L., Dinuclear Ce(IV) Aryloxides: Highly Active Catalysts for Anhydride/Epoxide Ring-Opening Copolymerization, Organometallics 2021, 40, 7, 948–958, DOI: https://doi.org/10.1021/acs.organomet.1c00055

Arnold, Polly L.; Halliday, Connor J. V.; Puig-Urrea, Laura; Nichol, Gary S., Instantaneous and Phosphine-Catalyzed Arene Binding and Reduction by U(III) Complexes, Inorg. Chem. 2021, 60, 6, 4162–4170, DOI: https://doi.org/10.1021/acs.inorgchem.1c00327

A. C. Deacy, C. B. Durr, R. W. F. .Kerr, C. K. Williams(2021). Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation, Catalysis Science & Technology, vol. 11, issue 9, page 9. DOI: 10.1039/d1cy00238d.

Andrey V. Protchenko,a   M. Ángeles Fuentes, Jamie Hicks, Caitilín McManus, Rémi Tirfoina and Simon Aldridge, Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex, Dalton Trans., 2021,50, 9059-9067, DOI: https://doi.org/10.1039/D1DT01216A

2020

Josephson, Brian; Fehl, Charlie; Isenegger, Patrick G.; Nadal, Simon; Wright, Tom H.; Poh, Adeline W. J.; Bower, Ben J.; Giltrap, Andrew M.; Chen, Lifu; Batchelor-McAuley, Christopher; Roper, Grace; Arisa, Oluwatobi; Sap, Jeroen B. I.; Kawamura, Akane; Baldwin, Andrew J.; Mohammed, Shabaz; Compton, Richard G.; Gouverneur, Veronique; Davis, Benjamin G., Light-driven post-translational installation of reactive protein side chains, Nature, volume 585, pages 530–537(2020), 10.1038/s41586-020-2733-7

A. Rosie Chhatwal, Helen V. Lomax, A. John Blacker, Jonathan M. J. Williams and Patricia Marcé, Direct synthesis of amides from nonactivated carboxylic acids using urea as nitrogen source and Mg(NO3)2 or imidazole as catalysts, Chem. Sci.,, 2020,11, 5808-5818, https://doi.org/10.1039/D0SC01317J

G. S. Sulley, G. L. Gregory, T. T. D. .Chen, L. Pena Carrodeguas, G. Trott, A. Santmarti, K. -Y. Lee, N. J. Terrill, C. K. Williams(2020). Switchable Catalysis Improves the Properties of CO2-Derived Polymers: Poly(cyclohexene carbonate-b-ε-decalactone-b-cyclohexene carbonate) Adhesives, Elastomers, and Toughened Plastics, Journal of the American Chemical Society, vol. 142, issue 9, page 9. DOI: 10.1021/jacs.9b13106.

S. K. Raman, A. C. Deacy, L. Pena Carrodeguas, N. V. Reis, R. W. F. .Kerr, A. Phanopoulos, S. Morton, M. G. Davidson, C. K. Williams(2020). Ti(IV)–Tris(phenolate) Catalyst Systems for the Ring-Opening Copolymerization of Cyclohexene Oxide and Carbon Dioxide, Organometallics, vol. 39, issue 9, page 9. DOI: 10.1021/acs.organomet.9b00845.

T. T. D. .Chen, L. P. ñA. Carrodeguas, G. S. Sulley, G. L. Gregory, C. K. Williams(2020). Bio-based and Degradable Block Polyester Pressure-Sensitive Adhesives, Angewandte Chemie International Edition, vol. 59, issue 52, page 52. DOI: 10.1002/anie.202006807.

N. Yuntawattana, T. M. McGuire, C. B. Durr, A. Buchard, C. K. Williams(2020). Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations, Catalysis Science & Technology, vol. 10, issue 21, page 21. DOI: 10.1039/d0cy01484b.

A. C. Deacy, C. B. Durr, C. K. Williams(2020). Heterodinuclear complexes featuring Zn(ii) and M = Al(iii), Ga(iii) or In(iii) for cyclohexene oxide and CO2 copolymerisation, Dalton Transactions, vol. 49, issue 1, page 1. DOI: 10.1039/c9dt02918d.

T. T. D. .Chen, L. P. ñA. Carrodeguas, G. S. Sulley, G. L. Gregory, C. K. Williams(2020). Bio-based and Degradable Block Polyester Pressure-Sensitive Adhesives, Angewandte Chemie, vol. 132, issue 52, page 52. DOI: 10.1002/ange.202006807.

Caise, Alexa, Hicks, Jamie, M. Ángeles Fuentes, Goicoechea, Jose M., Aldridge, Simon, Partnering a Three-Coordinate Gallium Cation with a Hydroborate Counter-Ion for the Catalytic Hydrosilylation of CO2, Chemistry A European Journal, Volume27, Issue 6, January 26, 2021, Pages 2138-2148, 10 November 2020, DOI: https://doi.org/10.1002/chem.202004408 

Protchenko, Andrey V., Vasko, Petra, Fuentes, M. Ángeles Fuentes, Hicks, Jamie, Vidovic, Dragoslav, Aldridge, Simon, Approaching a “Naked” Boryl Anion: Amide Metathesis as a Route to Calcium, Strontium, and Potassium Boryl Complexes, Angewandte Chemie, Volume60, Issue 4, January 25, 2021, Pages 2064-2068, First published: 07 October 2020, DOI: https://doi.org/10.1002/anie.202011839 

Zhou, Xueer, Vasko, Petra, Hicks, Jamie, M. Ángeles Fuentes, Heilmann, Andreas, Kolychev, Eugene L., Aldridge, Simon, Cooperative N–H bond activation by amido-Ge(ii) cations, Dalton Trans., 2020,49, 9495-9504, DOI: DOI: https://doi.org/10.1039/D0DT01960G 

Do, Dinh Cao Huan, Vasko, Petra, Fuentes, M. Ángeles Fuentes, Hicks, Jamie, Aldridge, Simon, Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems, Dalton Trans., 2020,49, 8701-8709, DOI: https://doi.org/10.1039/D0DT01447H 

2019

Maya Singer Hobbs, Emma V. Sackville, Andrew J. Smith, Karen J. Edler, Ulrich Hintermair, In‐situ Monitoring of Nanoparticle Formation during Iridium‐catalysed Oxygen Evolution by real‐time Small Angle X‐ray Scattering, Chem Cat Chem, August 2019, https://doi.org/10.1002/cctc.201901268

Antonis M. Messinis, Stephen L. J. Luckham, Peter P. Wells, Diego Gianolio, Emma K. Gibson, Harry M. O’Brien, Hazel A. Sparkes, Sean A. Davis, June Callison, David Elorriaga, Oscar Hernandez-Fajardo & Robin B. Bedford, The highly surprising behaviour of diphosphine ligands in iron-catalysed Negishi cross-coupling, Nature Catalysis volume 2, pages123–133 (2019), DOI: https://doi.org/10.1038/s41929-018-0197-z

Margherita Macino, Alexandra J. Barnes, Sultan M. Althahban, Ruiyang Qu, Emma K. Gibson, David J Morgan, Simon J. Freakley, Nikolaos Dimitratos, Christopher J. Kiely, Xiang Gao, Andrew M. Beale, Donald Bethell, Qian He, Meenakshisundaram Sankar & Graham J. Hutchings, Tuning of catalytic sites in Pt/TiO2 catalysts for the chemoselective hydrogenation of 3-nitrostyrene, Nature Catalysis (2019), September 2019, DOI: https://doi.org/10.1038/s41929-019-0334-3

Arnold, Polly L., Puig-Urrea, Laura, Wells, Jordann A. L., Yuan, Dan, Cruickshank, Faye L., Young, Rowan D., Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes, Dalton Transactions, 2019, Volume: 48, Issue: 15, 4894-4905, DOI: 10.1039/c8dt05051a

B. A. Jones, T. Balan, J. D. Jolliffe, C. D. Campbell, M. D. Smith, Practical and Scalable Kinetic Resolution of BINOLs Mediated by a Chiral Counterion, Angewandte Chemie International Edition, 2019, 58, 4596. DOI: 10.1002/anie.201814381 journal-article

J. Y. C. .Lim, N. Yuntawattana, P. D. Beer, C. K. Williams (2019). Isoselective Lactide Ring Opening Polymerisation using [2]Rotaxane Catalysts, Angewandte Chemie International Edition, vol. 58, issue 18, page 18. DOI: 10.1002/anie.201901592

G. Trott, J. A. Garden, C. K. Williams(2019). Heterodinuclear zinc and magnesium catalysts for epoxide/CO2 ring opening copolymerizations, Chemical Science, vol. 10, issue 17, page 17. DOI: 10.1039/c9sc00385a

T. Stößer, G. S. Sulley, G. L. Gregory, C. K. Williams(2019). Easy access to oxygenated block polymers via switchable catalysis, Nature Communications, vol. 10, issue 1, DOI: 10.1038/s41467-019-10481-w

J. R. Pankhurst, S. Paul, Y. Zhu, C. K. Williams, J. B. Love(2019). Polynuclear alkoxy–zinc complexes of bowl-shaped macrocycles and their use in the copolymerisation of cyclohexene oxide and CO2, Dalton Transactions, vol. 48, issue 15, page 15. DOI: 10.1039/c9dt00595a

Y. Zhu, A. Poma, L. Rizzello, V. M. Gouveia, L. Ruiz-Perez, G. Battaglia, C. K. Williams(2019). Metabolically Active, Fully Hydrolysable Polymersomes, Angewandte Chemie International Edition, vol. 58, issue 14, page 14. DOI: 10.1002/anie.201814320

Vasko, Petra, M. Ángeles Fuentes, Hicks, Jamie, Aldridge, Simon, Reversible O–H bond activation by an intramolecular frustrated Lewis pair, Dalton Trans., 2019,48, 2896-2899, DOI: https://doi.org/10.1039/C9DT00228F 

Ying Kai Loh, Lu Ying, Dr. M. Ángeles Fuentes, Dinh Cao Huan Do, Prof. Simon Aldridge, An N-Heterocyclic Boryloxy Ligand Isoelectronic with N-Heterocyclic Imines: Access to an Acyclic Dioxysilylene and its Heavier Congeners, Angewandte Chemie, Volume58, Issue15, April 1, 2019, Pages 4847-4851, DOI: https://doi.org/10.1002/anie.201812058 

Dr. Lilja Kristinsdóttir, Dr. Petra Vasko, Haoyu Niu, Dr. Eugene L. Kolychev, Dr. Jesús Campos, Dr. M. Ángeles Fuentes, Dr. Jamie Hicks, Dr. Amber L. Thompson, Prof. Simon Aldridge, Borylated N-Heterocyclic Carbenes: Rearrangement and Chemical Trapping, Chemistry A European Journal, Volume25, Issue10, February 18, 2019, Pages 2556-2568, DOI: https://doi.org/10.1002/chem.201804808

Caise, Alexa, Kolychev, Eugene L., Hicks, Jamie, M. Ángeles Fuentes, Goicoechea, Jose M., Aldridge, Simon, Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}2: structural, thermodynamic and reactivity studies, Dalton Trans., 2019,48, 10845-10852, DOI: https://doi.org/10.1039/C9DT00535H

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Environment

2021

Doble, Megan V.; Obrecht, Lorenz; Joosten, Henk-Jan; Lee, Misun; Rozeboom, Henriette J.; Branigan, Emma; Naismith, James. H.; Janssen, Dick B.; Jarvis, Amanda G.; Kamer, Paul C. J., Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity, ACS Catal. 2021, 11, 6, 3620–3627, https://doi.org/10.1021/acscatal.0c05413

Ruiz Esquius, Jonathan; Bahruji, Hasliza; Bowker, Michael; Hutchings, Graham J., Identification of C2–C5 products from CO2 hydrogenation over PdZn/TiO2–ZSM-5 hybrid catalysts, Faraday Discuss., 2021, Advance Article , https://doi.org/10.1039/D0FD00135J

S. Guan, G. E. Rossi, J. M. Winfield, C. Wilson, D. MacLaren, D. J. Morgan, P. R. Davies, D. J. Willock, D. Lennon, The interaction of CO with a copper(ii) chloride oxy-chlorination catalyst, Faraday Discuss., 2021,229, 318-340, DOI: https://doi.org/10.1039/D0FD00014K

George F. Tierney, Dr. Shahram Alijani, Monik Panchal, Dr. Donato Decarolis, Dr. Martha Briceno de Gutierrez, Dr. Khaled M. H. Mohammed, Dr. June Callison, Dr. Emma K. Gibson, Paul B. J. Thompson, Dr. Paul Collier, Prof. Nikolaos Dimitratos, Dr. E. Crina Corbos, Dr. Frederic Pelletier, Prof. Alberto Villa, Dr. Peter P. Wells, Controlling the Production of Acid Catalyzed Products of Furfural Hydrogenation by Pd/TiO2, ChemCatChem, October 2021, Online Version of Record before inclusion in an issue, DOI: https://doi.org/10.1002/cctc.202101036

Wallace, William T.; Hayward, James S.; Ho, Chen-Yu; Marsh, Amy R.; Tariq, Anisa; Bartley, Jonathan K., Triethylamine–Water as a Switchable Solvent for the Synthesis of Cu/ZnO Catalysts for Carbon Dioxide Hydrogenation to Methanol, Top Catal 64, 984–991 (2021). DOI: https://doi.org/10.1007/s11244-021-01457-6

2020

Bowker, M.; Jones, W., Methanol photo-reforming with water on pure titania for hydrogen production, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 24 July 2020, Volume 378, Issue 2176, 10.1098/rsta.2020.0058

Davies, Catherine J.; Mayer, Alexander; Gabb, Jess; Walls, Jake M.; Degirmenci, Volkan; Thompson, Paul B. J.; Cibin, Giannantonio; Golunski, Stan; Kondrat, Simon A., Operando potassium K-edge X-ray absorption spectroscopy: investigating potassium catalysts during soot oxidation, Phys. Chem. Chem. Phys., 2020, 22, 18976-18988, 10.1039/D0CP01227K

2019

Hasliza Bahruji, Norli Abdullah, Scott Rogers, Peter Wells, Richard Catlow and Michael Bowker, Pd local structure and size correlations on the activity of Pd/ TiO2 for photocatalytic reforming of methanol, Phys. Chem. Chem. Phys., June 2019, 10.1039/C9CP00826H

Dr. Richard J. Lewis, Mr. Kenji Ueura, Dr. Yukimasa Fukuta, Dr. Simon J. Freakley, Mr. Liqun Kang, Dr. Ryan Wang, Dr. Qian He, Dr. Jennifer. K. Edwards, Dr. David J. Morgan, Dr. Yasushi Yamamoto, Prof. Graham J. Hutchings, The Direct Synthesis of H2O2 Using TS-1 Supported Catalysts, Chem Cat Chem, 2019, doi:10.1002/cctc.201900100

Hasliza Bahruji, Michael Bowker and Philip R Davies, Influence of TiO2 structural properties on photocatalytic hydrogengas production, J. Chem. Sci.(2019) 131:33, https://doi.org/10.1007/s12039-019-1608-7

Margherita Macino, Alexandra J. Barnes, Sultan M. Althahban, Ruiyang Qu, Emma K. Gibson, David J Morgan, Simon J. Freakley, Nikolaos Dimitratos, Christopher J. Kiely, Xiang Gao, Andrew M. Beale, Donald Bethell, Qian He, Meenakshisundaram Sankar & Graham J. Hutchings, Tuning of catalytic sites in Pt/TiO2 catalysts for the chemoselective hydrogenation of 3-nitrostyrene, Nature Catalysis (2019), September 2019, DOI: https://doi.org/10.1038/s41929-019-0334-3

R. J. Lewis, A. Bara-Estaun, N. Agarwal, S. J. Freakley, D. J. Morgan, G. J. Hutchings(2019). The Direct Synthesis of H2O2 and Selective Oxidation of Methane to Methanol Using HZSM-5 Supported AuPd Catalysts, Catalysis Letters, vol. 149, issue 11, page 11. DOI: 10.1007/s10562-019-02876-7.

Click on the links for previous years environment publications: 2018, 2017, 2016, 2015, 2014

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