Search research publications and outputs

  1. 2014
  2. Reductive activation and structural rearrangement in superoxide reductase: A combined infrared spectroscopic and computational study

    Horch, M., Pinto, A. F., Utesch, T., Mroginski, M. A., Romão, C. V., Teixeira, M., Hildebrandt, P. & Zebger, I., 21 Jul 2014

    Article in Physical chemistry chemical physics

  3. A Measurement of Total Reactive Nitrogen, NOy, together with NO2, NO, and O3 via Cavity Ring-down Spectroscopy

    Wild, R. J., Edwards, P. M., Dubé, W. P., Baumann, K., Edgerton, E. S., Quinn, P. K., Roberts, J. M., Rollins, A. W., Veres, P. R., Warneke, C., Williams, E. J., Yuan, B. & Brown, S. S., 14 Jul 2014

    Article in Environmental science & technology

  4. Designing logical codon reassignment-Expanding the chemistry in biology

    Dumas, A., Lercher, L., Spicer, C. D. & Davis, B. G., 14 Jul 2014

    Review article in Chemical Science

  5. Synthesis and structural characterization of amido scorpionate rare earth metals complexes

    Márquez-Segovia, I., Lara-Sánchez, A., Otero, A., Fernández-Baeza, J., Castro-Osma, J. A., Sánchez-Barba, L. F. & Rodríguez, A. M., 7 Jul 2014

    Article in Dalton Transactions

  6. Spectroscopic Properties of Inorganic and Organometallic Compounds

    Yarwood, J. (ed.), Douthwaite, R. E. (ed.) & Duckett, S. B. (ed.), 3 Jul 2014, Spectroscopic Properties of Inorganic and Organometallic Compounds : Techniques, Materials and Applications, 45.

    Research output: Contribution to specialist publicationEditorial

  7. Probing signal amplification by reversible exchange using an NMR flow system

    Mewis, R. E., Atkinson, K. D., Cowley, M. J., Duckett, S. B., Green, G. G. R., Green, R. A., Highton, L. A. R., Kilgour, D., Lloyd, L. S., Lohman, J. A. B. & Williamson, D. C., 1 Jul 2014

    Article in MAGNETIC RESONANCE IN CHEMISTRY

  8. Diverse modes of binding in structures of Leishmania major N-myristoyltransferase with selective inhibitors

    Brannigan, J. A., Roberts, S. M., Bell, A. S., Hutton, J. A., Hodgkinson, M. R., Tate, E. W., Leatherbarrow, R. J., Smith, D. F. & Wilkinson, A. J., Jul 2014

    Article in IUCrJ

  9. Comment on “Quantitatively evaluating the effects of CO2 emission on temperature rise”

    Richardson, M., Stolpe, M. B., Jacobs, P., Jokimäki, A. & Cowtan, K., 26 Jun 2014

    Comment/debate in Quaternary International

  10. Current developments in activity-based protein profiling

    Willems, L. I., Overkleeft, H. S. & Van Kasteren, S. I., 19 Jun 2014

    Review article in BIOCONJUGATE CHEMISTRY

  11. Genome sequencing of two Neorhizobium galegae strains reveals a noeT gene responsible for the unusual acetylation of the nodulation factors

    Österman, J., Marsh, J., Laine, P., Zeng, Z., Alatalo, E., Sullivan, J., Young, J. P. W., Thomas-Oates, J., Paulin, L. & Lindström, K., 19 Jun 2014

    Article in BMC Genomics

  12. An Integrated Approach to the Taxonomic Identification of Prehistoric Shell Ornaments

    Demarchi, B., O'Connor, S., De Lima Ponzoni, A., De Almeida Rocha Ponzoni, R., Sheridan, A., Penkman, K. E. H., Hancock, Y. & Wilson, J. C., 17 Jun 2014

    Article in PLoS ONE

  13. Spectroscopic and computational insight into the activation of O 2by the mononuclear Cu center in polysaccharide monooxygenases

    Kjaergaard, C. H., Qayyum, M. F., Wong, S. D., Xu, F., Hemsworth, G. R., Walton, D. J., Young, N. A., Davies, G. J., Walton, P. H., Johansen, K. S., Hodgson, K. O., Hedman, B. & Solomon, E. I., 17 Jun 2014

    Article in Proceedings of the National Academy of Sciences of the United States of America

  14. Alumina-grafted SBA-15 as a high performance support for Pd-catalysed cinnamyl alcohol selective oxidation

    Parlett, C. M. A., Durndell, L. J., Machado, A., Cibin, G., Bruce, D. W., Hondow, N. S., Wilson, K. & Lee, A. F., 15 Jun 2014

    Article in Catalysis Today

  15. On the synthesis of α-amino sulfoxides

    Rayner, P. J., Gelardi, G., O'Brien, P., Horan, R. A. J. & Blakemore, D. C., 7 Jun 2014

    Article in Organic and Biomolecular Chemistry

  16. Insight into the structural and biological relevance of the T/R transition of the N-terminus of the B-chain in human insulin

    Kosinová, L., Veverka, V., Novotná, P., Collinsová, M., Urbanová, M., Moody, N. R., Turkenburg, J. P., Jiráček, J., Brzozowski, A. M. & Žáková, L., 3 Jun 2014

    Article in Biochemistry

  17. Secondary organic aerosol formation and composition from the photo-oxidation of methyl chavicol (estragole)

    Pereira, K. L., Hamilton, J. F., Rickard, A. R., Bloss, W. J., Alam, M. S., Camredon, M., Muñoz, A., Vázquez, M., Borrás, E. & Ródenas, M., 3 Jun 2014

    Article in Atmospheric Chemistry and Physics

  18. Definitions for renewable elements and renewable molecules

    Clark, J. H., Farmer, T. J., Moity, L. & Sherwood, J. R., 1 Jun 2014, Open-Bio. 29 p.

    Research output: Book/ReportCommissioned report

  19. Chiral Octahedral Complexes of Cobalt(III) as "Organic Catalysts in Disguise" for the Asymmetric Addition of a Glycine Schiff Base Ester to Activated Olefins

    Maleev, V. I., North, M., Larionov, V. A., Fedyanin, I. V., Savel'Yeva, T. F., Moscalenko, M. A., Smolyakov, A. F. & Belokon, Y. N., 26 May 2014

    Article in Advanced Synthesis and Catalysis

  20. High efficiency proton beam generation through target thickness control in femtosecond laser-plasma interactions

    Green, J. S., Robinson, A. P. L., Booth, N., Carroll, D. C., Dance, R. J., Gray, R. J., MacLellan, D. A., McKenna, P., Murphy, C. D., Rusby, D. & Wilson, L., 26 May 2014

    Article in Applied Physics Letters

  21. Cold ablation driven by localized forces in alkali halides

    Hada, M., Zhang, D., Pichugin, K., Hirscht, J., Kochman, M. A., Hayes, S. A., Manz, S., Gengler, R. Y. N., Wann, D. A., Seki, T., Moriena, G., Morrison, C. A., Matsuo, J., Sciaini, G. & Miller, R. J. D., 19 May 2014

    Article in Nature Communications

  22. Buccaneer version 1.6.0

    Cowtan, K. D., 7 May 2014

    Research output: Non-textual formSoftware

  23. Acylazetine as a dienophile in bioorthogonal inverse electron-demand Diels-Alder ligation

    Engelsma, S. B., Willems, L. I., Van Paaschen, C. E., Van Kasteren, S. I., Van Der Marel, G. A., Overkleeft, H. S. & Filippov, D. V., 5 May 2014

    Article in Organic Letters

  24. Gaucher disease and Fabry disease: New markers and insights in pathophysiology for two distinct glycosphingolipidoses

    Ferraz, M. J., Kallemeijn, W. W., Mirzaian, M., Herrera Moro, D., Marques, A., Wisse, P., Boot, R. G., Willems, L. I., Overkleeft, H. S. & Aerts, J. M. F. G., May 2014

    Article in Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids

  25. Gated electron sharing within dynamic naphthalene diimide-based oligorotaxanes

    Avestro, A-J., Gardner, D. M., Vermeulen, N. A., Wilson, E. A., Schneebeli, S. T., Whalley, A. C., Belowich, M. E., Carmieli, R., Wasielewski, M. R. & Stoddart, J. F., 22 Apr 2014

    Article in Angewandte Chemie International Edition

  26. Computational discovery of stable transition-metal vinylidene complexes

    Pickup, O. J. S., Khazal, I., Smith, E. J., Whitwood, A. C., Lynam, J. M., Bolaky, K., King, T. C., Rawe, B. W. & Fey, N., 14 Apr 2014

    Article in Organometallics

  27. rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids

    Ruiz-Carmona, S., Alvarez-Garcia, D., Foloppe, N., Garmendia-Doval, A. B., Juhos, S., Schmidtke, P., Barril, X., Hubbard, R. E. & Morley, S. D., 10 Apr 2014

    Article in PLoS Computational Biology

  28. Long-term resilience of late Holocene coastal subsistence system in southeastern South America

    Colonese, A. C., Collins, M. J., Lucquin, A. J. A., Eustace, M., Hancock, Y., De Almeida Rocha Ponzoni, R., Smith, C., Mora, A., DeBalasis, A. P. D., Figuti, L., Wesolowski, V., Plens, C., Eggers, S., Farias, D., Gledhill, A. & Craig, O. E., 9 Apr 2014

    Article in PLoS ONE

  29. Chlorine as a primary radical: evaluation of methods to understand its role in initiation of oxidative cycles

    Young, C. J., Washenfelder, R. A., Edwards, P. M., Parrish, D. D., Gilman, J. B., Kuster, W. C., Mielke, L. H., Osthoff, H. D., Tsai, C., Pikelnaya, O., Stutz, J., Veres, P. R., Roberts, J. M., Griffith, S., Dusanter, S., Stevens, P. S., Flynn, J., Grossberg, N., Lefer, B., Holloway, J. S. & 5 others, Peischl, J., Ryerson, T. B., Atlas, E. L., Blake, D. R. & Brown, S. S., 7 Apr 2014

    Article in Atmospheric Chemistry and Physics

  30. An ExBox [2]catenane

    Juríček, M., Barnes, J. C., Strutt, N. L., Vermeulen, N. A., Ghooray, K. C., Dale, E. J., McGonigal, P. R., Blackburn, A. K., Avestro, A. J. & Stoddart, J. F., 4 Apr 2014

    Article in Chemical Science

  31. 'No Sexuality Please - We're Scientists'

    Smith, D. K., 1 Apr 2014, CHEMISTRY WORLD, p. 1.

    Research output: Contribution to specialist publicationEditorial

  32. Nanoscale self-assembled multivalent (SAMul) heparin binders in highly competitive, biologically relevant, aqueous media

    Bromfield, S. M., Posocco, P., Chan, C. W., Calderon, M., Guimond, S. E., Turnbull, J. E., Pricl, S. & Smith, D. K., 1 Apr 2014

    Article in Chemical Science

  33. Gold(I) complexes of phosphaalkynes

    Sanguramath, R. A., Townsend, N. S., Lynam, J. M. & Russell, C. A., Apr 2014

    Article in EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

  34. Liquid Crystals in Glycolipids

    Goodby, J. W., Davis, E. J., Cowling, S. J. & Queneau, Y., Apr 2014, Carbohydrate Chemistry, Specialist Periodic Reports on Carbohydrate Chemistry, Chemical and Biological Approaches. Pilar, A., Lindhorst, PK. & Queneau, Y. (eds.). Croydon: RSC book publishing, Vol. 40. p. 312-340 29 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  35. How the structure of the large subunit controls function in an oxygen-tolerant [NiFe]-hydrogenase

    Bowman, L., Flanagan, L., Fyfe, P. K., Parkin, A., Hunter, W. N. & Sargent, F., 15 Mar 2014

    Article in Biochemical journal

  36. Equilibrium gas-phase structures of sodium fluoride, bromide, and iodide monomers and dimers

    Wann, D. A., Rankin, D. W. H., McCaffrey, P. D., Martin, J. M. L. & Mawhorter, R. J., 13 Mar 2014

    Article in Journal of Physical Chemistry A

  37. Nautilus version 0.4

    Cowtan, K. D., 7 Mar 2014

    Research output: Non-textual formSoftware

  38. Polyglycerol-based amphiphilic dendrons as potential siRNA carriers for in vivo applications

    Tschiche, A., Staedtler, A. M., Malhotra, S., Bauer, H., Böttcher, C., Sharbati, S., Calderón, M., Koch, M., Zollner, T. M., Barnard, A., Smith, D. K., Einspanier, R., Schmidt, N. & Haag, R., 7 Mar 2014

    Article in Journal of Materials Chemistry B

  39. Understanding and harnessing hydrogenases, biological dihydrogen catalysts

    Parkin, A., 3 Mar 2014, The Metal-Driven Biogeochemistry of Gaseous Compounds in the Environment. Kroneck, P. M. H. & Sosa Torres, M. E. (eds.). p. 99-124 26 p. (Metal Ions in Life Sciences; vol. 14).

    Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

  40. A review and application of the evidence for nitrogen impacts on ecosystem services

    Jones, L., Provins, A., Holland, M., Mills, G., Hayes, F., Emmett, B., Hall, J., Sheppard, L., Smith, R., Sutton, M., Hicks, K., Ashmore, M., Haines-Young, R. & Harper-Simmonds, L., Mar 2014

    Article in Ecosystem Services

  41. Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium spp. Reveal the Molecular Basis for Their Recognition of ‘Bulky–Bulky’ Ketones

    Man, H., Kędziora, K., Kulig, J., Frank, A., Lavandera, I., Gotor-Fernández, V., Rother, D., Hart, S., Turkenburg, J. P. & Grogan, G., Mar 2014

    Article in TOPICS IN CATALYSIS

  42. The potential of methylsiloxanes as solvents for synthetic chemistry applications

    Ab Rani, M. A., Borduas, N., Colquhoun, V., Hanley, R., Johnson, H., Larger, S., Lickiss, P. D., Llopis-Mestre, V., Luu, S., Mogstad, M., Oczipka, P., Sherwood, J. R., Welton, T. & Xinga, J-Y., Mar 2014

    Article in Green Chemistry

  43. A discrete genetic locus confers xyloglucan metabolism in select human gut Bacteroidetes

    Larsbrink, J., Rogers, T. E., Hemsworth, G. R., McKee, L. S., Tauzin, A. S., Spadiut, O., Klinter, S., Pudlo, N. A., Urs, K., Koropatkin, N. M., Creagh, A. L., Haynes, C. A., Kelly, A. G., Cederholm, S. N., Davies, G. J., Martens, E. C. & Brumer, H., 27 Feb 2014

    Article in Nature

  44. A zebrafish compound screen reveals modulation of neutrophil reverse migration as an anti-inflammatory mechanism

    Robertson, A. L., Holmes, G. R., Bojarczuk, A. N., Burgon, J., Loynes, C. A., Chimen, M., Sawtell, A. K., Hamza, B., Willson, J., Walmsley, S. R., Anderson, S. R., Coles, M. C., Farrow, S. N., Solari, R., Jones, S., Prince, L. R., Irimia, D., Rainger, G. E., Kadirkamanathan, V., Whyte, M. K. B. & 1 others, Renshaw, S. A., 26 Feb 2014

    Article in Science Translational Medicine

  45. Supermolecular Liquid Crystals

    Saez, I., 26 Feb 2014, Handbook of Liquid Crystals. Goodby, J., Collings, P., Kato, T., Gleeson, H., Tschierske, C. & Raynes, P. (eds.). 2nd ed. Weinheim: Wiley-VCH, Vol. 7. 48 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

  46. HPTN 071 (PopART): Rationale and design of a cluster-randomised trial of the population impact of an HIV combination prevention intervention including universal testing and treatment - a study protocol for a cluster randomised trial

    Hayes, R., Ayles, H., Beyers, N., Sabapathy, K., Floyd, S., Shanaube, K., Bock, P., Griffith, S., Moore, A., Watson-Jones, D., Fraser, C., Vermund, S. H., Fidler, S., Agyei, Y., Baldwin, M., Barnes, M., Bond, V., Burns, D., Chishinga, N., Cummings, V. & 21 others, Donnell, D., Emel, L., Eshleman, S., Godfrey-Faussett, P., Greene, E., Hargreaves, J., Hauck, K., Headen, T., Horn, L., Kim, P., Piwowar-Manning, E., McCarthy, K., Musheke, M., Mwango, A., Mwinga, A., Muyoyeta, M., Simwinga, M., Schaap, A., Smith, P. C., Wolf, S. & White, R., 13 Feb 2014

    Article in Trials

  47. Probing bacterial uptake of glycosylated ciprofloxacin conjugates

    Milner, S. J., Carrick, C. T., Kerr, K. G., Snelling, A. M., Thomas, G. H., Duhme-Klair, A-K. & Routledge, A., 10 Feb 2014

    Article in Chembiochem

  48. Radical chemistry at night: comparisons between observed and modelled HOx, NO3 and N2O5 during the RONOCO project

    Stone, D., Evans, M. J., Walker, H., Ingham, T., Vaughan, S., Ouyang, B., Kennedy, O. J., McLeod, M. W., Jones, R. L., Hopkins, J., Punjabi, S., Lidster, R., Hamilton, J. F., Lee, J. D., Lewis, A. C., Carpenter, L. J., Forster, G., Oram, D. E., Reeves, C. E., Bauguitte, S. & 7 others, Morgan, W., Coe, H., Aruffo, E., Dari-Salisburgo, C., Giammaria, F., Di Carlo, P. & Heard, D. E., 5 Feb 2014

    Article in Atmospheric Chemistry and Physics

  49. Toward biocompatible nuclear hyperpolarization using signal amplification by reversible exchange: Quantitative in situ spectroscopy and high-field imaging

    Hövener, J-B., Schwaderlapp, N., Borowiak, R., Lickert, T., Duckett, S. B., Mewis, R. E., Adams, R. W., Burns, M. J., Highton, L. A. R., Green, G. G. R., Olaru, A., Hennig, J. & Von Elverfeldt, D., 4 Feb 2014

    Article in Analytical Chemistry

  50. A smog chamber comparison of a microfluidic derivatisation measurement of gas-phase glyoxal and methylglyoxal with other analytical techniques

    Pang, X., Lewis, A. C., Rickard, A. R., Baeza-Romero, M. T., Adams, T. J., Ball, S. M., Daniels, M. J. S., Goodall, I. C. A., Monks, P. S., Peppe, S., Ródenas García, M., Sánchez, P. & Muñoz, A., 3 Feb 2014

    Article in Atmospheric Measurement Techniques

  51. Direct Kinetic Study of OH and O3 Formation in the Reaction of CH3C(O)O2 with HO2

    Groß, C. B. M., Dillon, T. J., Schuster, G., Lelieveld, J. & Crowley, J. N., 3 Feb 2014

    Article in Journal of Physical Chemistry A

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