Search research publications and outputs

  1. Article › Research › Peer-reviewed
  2. A multi-task deep learning neural network for predicting flammability-related properties from molecular structures

    Yang, A., Su, Y., Wang, Z., Jin, S., Ren, J., Zhang, X., Shen, W. & Clark, J. H., 19 May 2021, (E-pub ahead of print)

    Article in Green Chemistry

  3. A new index to assess the air quality impact of urban tree plantation

    Datta, S., Sharma, A., Parkar, V., Hakkim, H., Kumar, A., Chauhan, A., Tomar, S. S. & Sinha, B., 15 Oct 2021, (E-pub ahead of print)

    Article in Urban Climate

  4. Activity and substrate specificity of lytic polysaccharide monooxygenases: An ATR FTIR-based sensitive assay tested on a novel species from Pseudomonas putida

    Serra, I., Piccinini, D., Paradisi, A., Ciano, L., Bellei, M., Bortolotti, C. A., Battistuzzi, G., Sola, M., Walton, P. H. & Di Rocco, G., 11 Dec 2021, (E-pub ahead of print)

    Article in Protein science

  5. Activity-based protein profiling of retaining α-amylases in complex biological samples

    Chen, Y., Armstrong, Z., Artola, M., Florea, B. I., Kuo, C-L., de Boer, C., Rasmussen, M. S., Hachem, M. A., van der Marel, G. A., Codée, J. D. C., Aerts, J. M. F. G., Davies, G. J. & Overkleeft, H. S., 26 Jan 2021, (E-pub ahead of print)

    Article in Journal of the American Chemical Society

  6. Biocatalytic Aromaticity-Breaking Epoxidation of Naphthalene

    Grogan, G. J., Whitwood, A. C., Zhang, W., Li, H., Younes, S., Gomez de Santos, P., Tieves, F., Pabst, M., Alcalde, M. & Hollmann, F., 12 Feb 2021, (E-pub ahead of print)

    Article in ACS Catalysis

  7. Bone Marrow Remodelling Supports Hematopoiesis in Response to Immune Thrombocytopenia Progression

    Herd, O., Rani, G. F., Hewitson, J. P., Hogg, K., Stone, A., Cooper, N., Kent, D. G., Genever, P. & Hitchcock, I. S., 24 Aug 2021, (E-pub ahead of print)

    Article in Blood Advances

  8. Chiral titanium(IV) and vanadium(V) salen complexes as catalysts for carbon dioxide and epoxide coupling reactions

    Kuznetsova, S. A., Gorodishch, I. V., Gak, A. S., Zherebtsova, V. V., Gerasimov, I. S., Medvedev, M. G., Kitaeva, D. K., Khakina, E. A., North, M. & Belokon, Y. N., 13 Jan 2021, (E-pub ahead of print)

    Article in Tetrahedron

  9. Chromoselective Photocatalysis Enables Stereocomplementary Biocatalytic Pathways

    Grogan, G. J., Mielke, T., Cartwright, J. L., Kroutil, W., Schmermund, L., Bierbaumer, S., Winkler, C., Reischauer, S., Pieber, B., Kara, S., Edwards, L. & Diaz-Rodriguez, A., 2 Feb 2021, (E-pub ahead of print)

    Article in Angewandte Chemie International Edition

  10. Cluster expansion and vertex substitution pathways in nickel germanide Zintl clusters

    Townrow, O. P. E., Weller, A. & Goicoechea, J. M., 22 Jun 2021, (E-pub ahead of print)

    Article in Chemical communications

  11. Cooperativity in micellar solubilization

    Shimizu, S. & Matubayasi, N., 30 Mar 2021, (E-pub ahead of print)

    Article in Physical Chemistry Chemical Physics

  12. Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent β-L-Arabinofuranosidase Inhibitor

    McGregor, N. G. S., Coines, J., Borlandelli, V., Amaki, S., Artola, M., Nin‐Hill, A., Linzel, D., Yamada, C., Arakawa, T., Ishiwata, A., Ito, Y., van der Marel, G. A., Codée, J. D. C., Fushinobu, S., Overkleeft, H. S., Rovira, C. & Davies, G. J., 2 Feb 2021, (E-pub ahead of print)

    Article in Angewandte Chemie International Edition

  13. Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents

    Rowland, R. J., Chen, Y., Breen, I., Wu, L., Offen, W. A., Beenakker, T., Su, Q., van den Nieuwendijk, A. M. C. H., Aerts, J. M. F. G., Artola, M., Overkleeft, H. S. & Davies, G. J., 29 Oct 2021, (E-pub ahead of print)

    Article in Chemistry : A European Journal

  14. Exploring the hyperpolarisation of EGTA-based ligands using SABRE

    Tickner, B., Borozdina, Y., Duckett, S. B. & Angelovski, G., 22 Jan 2021, (E-pub ahead of print)

    Article in Dalton Transactions

  15. Ferromagnetism in two-dimensional CrTe2epitaxial films down to a few atomic layers

    Sun, Y., Yan, P., Ning, J., Zhang, X., Zhao, Y., Gao, Q., Kanagaraj, M., Zhang, K., Li, J., Lu, X., Yan, Y., Li, Y., Xu, Y. & He, L., 23 Mar 2021, (E-pub ahead of print)

    Article in RSC Advances

  16. Insights into air pollution chemistry and sulphate formation from nitrous acid (HONO) measurements during haze events in Beijing

    Bloss, W. J., Kramer, L., Crilley, L. R., Vu, T., Harrison, R. M., Shi, Z., Lee, J. D., Squires, F. A., Whalley, L. K., Slater, E., Woodward-Massey, R., Ye, C., Heard, D. E., Tong, S., Hou, S., Sun, Y., Xu, J., Wei, L. & Fu, P., 21 Sep 2021, (E-pub ahead of print)

    Article in FARADAY DISCUSSIONS

  17. Inverting the stereoselectivity of an NADH-dependent imine reductase variant

    Stockinger, P., Borlinghaus, N., Sharma, M., Aberle, B., Grogan, G. J., Pleiss, J. & Nestl, B., 8 Oct 2021, (E-pub ahead of print)

    Article in ChemCatChem

  18. Multitasking in the gut: X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions

    Moroz, O. V., Blagova, E., Lebedev, A. A., Rodríguez, F. S., Rigden, D. J., Tams, J. W., Wilting, R., Vester, J. K., Longhin, E., Hansen, G. H., Krogh, K. B. R. M., Pache, R. A., Davies, G. J. & Wilson, K. S., 18 Nov 2021, (E-pub ahead of print)

    Article in Acta Crystallographica Section D: Structural Biology

  19. Parahydrogen-induced polarization of amino acids

    Pravdivtsev, A., Buntkowsky, G., Duckett, S. B., Koptyug, I. & Hövener, J-B., 13 Aug 2021, (E-pub ahead of print)

    Article in Angewandte Chemie International Edition

  20. Phylodynamic analysis of an emergent Mycobacterium bovis outbreak in an area with no previously known wildlife infections

    Rossi, G., Crispell, J., Brough, T., Lycett, S., White, P. C. L., Allen, A., Ellis, R., Gordon, S., Harwood, R., Palkopoulou, E., Presho, E., Skuce, R., Smith, G. & Kao, R., 1 Nov 2021, (E-pub ahead of print)

    Article in Journal of Applied Ecology

  21. Polymer chemistry applications of Cyrene™ and its derivative Cygnet 0.0 as safer replacements for polar aprotic solvents

    Milescu, R., Zhenova, A. S., Vastano, M., Gammons, R. J., Clark, J. H., McElroy, R. & Pellis, A., 4 Jul 2021, (E-pub ahead of print)

    Article in ChemSusChem

  22. Pyrene Tags for the Detection of Carbohydrates by Label-Assisted Laser Desorption/Ionisation Mass Spectrometry**

    Hauser, J. R., Bergström, E. T., Kulak, A. N., Warriner, S. L., Thomas-Oates, J. & Bon, R. S., 4 Jan 2021, (E-pub ahead of print)

    Article in Chembiochem

  23. Quantitative assessment of nitrous oxide levels in room air of operation theaters and recovery area: An observational study

    Puri, GD., Meena, S. C., Sinha, V., Hazarika, A., Hakkim, H., Kumar, A., Kajal, K. & Dogra, N., 9 Oct 2021, (E-pub ahead of print)

    Article in Indian Journal of Occupational and Environmental Medicine

  24. Secreted pectin monooxygenases drive plant infection by pathogenic oomycetes

    Sabbadin, F., Urresti, S., Henrissat, B., Avrova, A. O., Welsh, L. R. J., Lindley, P., Csukai, M., Squires, J. N., Walton, P. H., Davies, G. J., Bruce, N. C., Whisson, S. C. & McQueen Mason, S. J., 13 Aug 2021, (E-pub ahead of print)

    Article in Science

  25. Substrate anchoring and flexibility reduction in CYP153AM.aq leads to highly improved activity towards octanoic acid

    Grogan, G. J., Rowlinson, B., Sharma, M., Zukic, E., Hauer, B., Rapp, L., Marques, S. & Damborsky, J., 24 Feb 2021, (E-pub ahead of print)

    Article in ACS Catalysis

  26. Temperature dependence of sorption

    Shimizu, S. & Matubayasi, N., 9 Sep 2021, (E-pub ahead of print)

    Article in Langmuir

  27. The Impact of the Counterion in the Performance of Ionic Hydrotropes

    Abranches, D. O., Benfica, J., Soares, B., Ana M, F., Sintra, T. E., Shimizu, S. & Coutinho, J. A. P., 17 Feb 2021, (E-pub ahead of print)

    Article in Chemical Communications

  28. The Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis

    Sharma, M., Abayakoon, P., Epa, R., Jin, Y., Lingford, J. P., Shimada, T., Nakano, M., Mui, J. W-Y., Akira Ishihama, Goddard-Borger, E. D., Davies, G. J. & Williams, S. J., 23 Feb 2021, (E-pub ahead of print)

    Article in ACS Central Science

  29. The development of non-hydrolysable oligosaccharide activity-based inactivators for endoglycanases: a case study on a-1,6 mannanases

    Schröder, S. P., Offen, W. A., Males, A., Jin, Y., Boer, C. D., Enotarpi, J., Marino, L., van der Marel, G. A., Florea, B. I., Codée, J. D. C., Overkleeft, H. S. & Davies, G. J., 21 May 2021, (E-pub ahead of print)

    Article in Chemistry A European Journal

  30. The mechanism of SARS-CoV-2 nucleocapsid protein recognition by the human 14-3-3 proteins

    Tugaeva, K. V., E D P Hawkins, D., L R Smith, J., Bayfield, O. W., Ker, D-S., Sysoev, A. A., Klychnikov, O. I., Antson, A. A. & Sluchanko, N. N., 5 Feb 2021, (E-pub ahead of print)

    Article in Journal of Molecular Biology

  31. The preservation of ancient DNA in archaeological fish bone

    Ferrari, G., Cuevas, A., Gondek-Wyrozemska, A. T., Ballantyne, R., Kersten, O., Pálsdóttir, A. H., van der Jagt, I., Hufthammer, A. K., Ystgaard, I., Wickler, S., Bigelow, G. F., Harland, J., Nicholson, R., Orton, D., Clavel, B., Boessenkool, S., Barrett, J. H. & Star, B., 9 Jan 2021, (E-pub ahead of print)

    Article in Journal of archaeological science

  32. Triggering a transient organo-gelation system in a chemically active solvent

    Chevigny, R., Schirmer, J., Piras, C. C., Johansson, A., Kalenius, E., Smith, D. K., Pettersson, M., Sitsanidis, E. & Nissinen, M., 15 Sep 2021, (E-pub ahead of print)

    Article in Chemical communications

  33. Using Purely Sinusoidal Voltammetry for Rapid Inference of Surface-Confined Electrochemical Reaction Parameters

    Lloyd-Laney, H. O., Yates, N. D. J., Robinson, M. J., Hewson, A. R., Firth, J. D., Elton, D. M., Zhang, J., Bond, A. M., Parkin, A. & Gavaghan, D. J., 8 Jan 2021, (E-pub ahead of print)

    Article in Analytical Chemistry

  34. Comment/debate › Research › Peer-reviewed
  35. Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another

    Galbraith, J. M., Shaik, S., Danovich, D., Braïda, B., Wu, W., Hiberty, P., Cooper, D. L., Karadakov, P. B. & Dunning, Jr., T. H., 18 Nov 2021, (E-pub ahead of print)

    Comment/debate in JOURNAL OF CHEMICAL EDUCATION

  36. Review article › Research › Peer-reviewed
  37. Sulfoglycolysis: catabolic pathways for metabolism of sulfoquinovose

    Snow, A. J. D., Burchill, L., Sharma, M., Davies, G. J. & J.Williams, S., 24 Nov 2021, (E-pub ahead of print)

    Review article in Chemical Society Reviews