Reports & Publications


Underlined author(s) designates NMSF personnel

Thea Coward, Claudio Fuentes-Grünewald, Alla Silkina, Darren L. Oatley-Radcliffe, Gareth Llewellyn, Robert W. Lovitt Utilising light-emitting diodes of specific narrow wavelengths for the optimization and co-production of multiple high-value compounds in Porphyridium purpureum Bioresource Technology, 2016, 221, 607-615 DOI: 10.1016/j.biortech.2016.09.093

Chandani Patel, Jatinder P. Bassin, Mark Scott, Jenna Flye, Ann P. Hunter, Lee Martin and Madhu Goyal Synthesis and Antimicrobial Activity of 1,2-Benzothiazine Derivatives Molecules , 2016, 21(7) div number: 861. DOI: 10.3390/molecules21070861

Abby Casey, Yang Han, Mark F. Wyatt, Thomas D. Anthopoulos, Martin Heeney Novel soluble thieno[3,2-b]thiophene fused porphyrazine RSC Advances, 2015, 110(5), 90645-90650. DOI: 10.1039/C5RA17859B

A. Ipsen Derivation from First Principles of the Statistical Distribution of the Mass Peak Intensities of MS Data Analytical Chemistry, 2015, 87(3), 1726-1734. DOI: 10.1021/ac503554u

Sarah A. Inskip, G. Michael Taylor, Sonia R. Zakrzewski, Simon A. Mays, Alistair W.G. Pike, Gareth Llewellyn, Christopher M. Williams, Oona Y-C Lee, Houdini H. T. Wu, David E. Minnikin, Gurdyal S. Besra, Graham R. Stewart Osteological, Biomolecular and Geochemical Examination of an Early Anglo-Saxon Case of Lepromatous Leprosy, PLOS ONE, 2015. DOI: 10.1371/journal.pone.0124282

O. Baker, O.Y.-C. Lee, H.H.T. Wu, G.S. Besra, D.E. Minnikin, G. Llewellyn, C.M.Williams, F. Maixner, N. O’Sullivan, A. Zink, B. Chamel, R. Khawam, E. Coqueugniot, D. Helmer, F. Le Mort, P. Perrin, L. Gourichon, B. Dutailly, G. Pálfi, H. Coqueugniot, O. Dutour Human tuberculosis predates domestication in ancient Syria Tuberculosis, 2015, 95, S4–S12. DOI: 10.1016/

Erika Molnar, Helen D. Donoghue, Oona Y.-C. Lee, Houdini H.T. Wu, Gurdyal S. Besra, David E. Minnikin, Ian D. Bull, Gareth Llewellyn, Christopher M. Williams, Olga Spekker, Gyorgy Palfi Morphological and biomolecular evidence for tuberculosis in 8th century AD skeletons from Bélmegyer-Csömöki domb, Hungary Tuberculosis, 2015, 95, S35–S41. DOI: 10.1016/

Adam P. Robinson-Miller, Mark F. Wyatt, David Tétard Epoxidation of strained alkenes catalysed by(1,2-dimethyl-4(1H)pyridinone-3-olate)2MnIIICl Journal of Molecular Catalysis A: Chemical, 2015, 398, 376-390. DOI: 10.1016/j.molcata.2014.12.012

Lucy G. Weaver, Yogendra Singh, George Vamvounis, Mark F. Wyatt, Paul L. Burn, Joanne T. Blanchfield Carbohydrate globules: molecular asterisk-cored dendrimers for carbohydrate presentation Polym. Chem., 2014, 5, 1173-1179. DOI: 10.1039/c3py01123b

A. Ipsen Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform Analytical Chemistry, 2014, 86(11), 5316-5322. DOI: 10.1021/ac500108n

A. Ipsen, T. Ebbels Orders of Magnitude Extension of the Effective Dynamic Range of TDC-Based TOFMS Data Through Maximum Likelihood Estimation Journal of The American Society for Mass Spectrometry, 2014, 25(10), 1824-1827. DOI: 10.1007/s13361-014-0961-5

Yingjie Chen, Michael Ogundare, Christopher M. Williams, Yuchen Wang, Yuqin Wang, Gavin W. Sewell, Philip J. Smith, Farooq Z. Rahman, Nuala O'Shea, Anthony W. Segal, William J. Griffiths Shotgun cholanomics of ileal fluid Biochimie, 2013, 95, 461-463. DOI: 10.1016/j.biochi.2012.09.004

Sue M. Alston, Allan D. Clark, J. Cris Arnold, Bridget K. Stein Environmental Impact of Pyrolysis of Mixed WEEE Plastics Part 1: Experimental Pyrolysis Data Environ. Sci. Technol., 2011, 45, 9380-9385. DOI: 10.1021/es201664h

William J. Griffiths, Michael Ogundare, Christopher M. Williams, Yuqin Wang On the future of “omics”: lipidomics J. Inherit. Metab. Dis., 2011, 34, 583-592. DOI: 10.1007/s10545-010-9274-4

A. Elizabeth Bond, Shujing Ding, Christopher M. Williams, Russell P. Newton, Edward Dudley Mass spectrometric fragmentation behaviour of cAMP analogues Int. J. Mass Spectrom., 2011, 304, 103-139. DOI: 10.1016/j.ijms.2010.06.015

Jack P. Gunning, Jack W. Levell, Mark F. Wyatt, Paul L. Burn, Jeremy Robertson, Ifor D. W. Samuel The development of poly(dendrimer)s for advanced processing Polym. Chem., 2010, 1, 730-738. DOI: 10.1039/C0PY00039F

A. Ruth Godfrey, Christopher M. Williams, Edward Dudley, Russell P. Newton, Peter Willshaw, Aashraf I. Mikhail, Lisa Bastin, A. Gareth Brenton Investigation of uremic analytes in hemodialysate and their structural elucidation from accurate mass maps generated by a multi-dimensional liquid chromatography/mass spectrometry approach Rapid Commun. Mass Spectrom., 2009, 23, 3194-3204. DOI: 10.1002/rcm.4235

Michael Harris, Bridget K. Stein, John H .P. Tyman, Christopher M. Williams The structure of the colourant/pigment, carmine derived from carminic acid J. Chem. Res., 2009, 407-9, DOI: 10.3184/030823409X460768

Ian E. Bruce, Lina Mehta, Michael J. Porter, Bridget K. Stein, John H. P. Tyman Anionic surfactants synthesised from replenishabel phenolic lipids J. Surfact. Deterg., 2009, 12, 337-344. DOI: 10.1007/s11743-009-1116-8

T. William Bentley, In Sun Koo, Hojune Choi, Gareth Llewellyn A kinetic model for water reactivity (avoiding activities) for hydrolyses in aqueous mixtures - selectivities for solvolyses of 4-substituted benzyl derivatives in alcohol-water mixtures J. Phys. Org. Chem., 2008, 21, 251-256. DOI: 10.1002/poc.1308

Brendan M. Smith, Suzanna. D. Kean, Mark F. Wyatt, Andrew E. Graham Indium triflate mediated synthesis of meso-substituted porphyrins Synlett, 2008, 13, 1953-1956. DOI: 10.1055/s-2008-1077972

Carlos J. P. Monteiro, Mariette M. Pereira, Sara M. A. Pinto, Ana V. C. Simões, Gonçalo F. F. Sá, Luís G. Arnaut, Sebastião J. Formosinho, Sérgio Simões, Mark F. Wyatt Synthesis of amphiphilic sulfonamide halogenated porphyrins: MALDI-TOFMS characterization and evaluation of 1-octanol/water partition coefficients Tetrahedron, 2008, 64, 5132-5138. DOI: 10.1016/j.tet.2008.03.055

Ann P. Hunter, Anthony M. J. Lees, Andrew W. G. Platt Synthesis, structures and mass spectrometry of lanthanide nitrate complexes with tricyclohexylphosphine oxide Polyhedron, 2007, 26, 4865-4876. DOI: 10.1016/j.poly.2007.06.023

Zhenxin Wang, Bien Tan, Irshad Hussain, Nicolas Schaeffer, Mark F. Wyatt, Mathias Brust, Andrew I. Cooper Design of polymeric stabilizers for size-controlled synthesis of monodisperse gold nanopdivs in water Langmuir, 2007, 23, 885-895. DOI: 10.1021/la062623h

Kristofer J. Thurecht, Andreas Heise, Matthijs deGeus, Silvia Villarroya, Jiaxiang Zhou, Mark F. Wyatt, Steven M. Howdle Kinetics of enzymatic ring-opening polymerization of ε-caprolactone in supercritical carbon dioxide Macromolecules, 2006, 39, 7967-7972. DOI: 10.1021/ma061310q

Kwaku Kyeremeh, Thomas C. Baddeley, Bridget K. Stein, Marcel Jaspars A homologous series of eunicellin-based diterpenes from Acalycigorgia sp. characterised by tandem mass spectrometry Tetrahedron, 2006, 62, 8770-8778. DOI: 10.1016/j.tet.2006.06.102

Jiaxiang Zhou, Silvia Villarroya, Wenxin Wang, Mark F. Wyatt, Christopher J. Duxbury, Kristofer J. Thurecht, Steven M. Howdle One-step chemoenzymatic synthesis of poly(ε-caprolactone-block-methyl methacrylate) in supercritical CO2 Macromolecules, 2006, 39, 5352-5358. DOI: 10.1021/ma060046y

Geoffrey C. Kite, Charlotte A. Stoneham, Nigel C. Veitcha, Bridget K. Stein, Katherine E. Whitwell Application of liquid chromatography-mass spectrometry to the investigation of poisoning by Oenanthe crocata J. Chromatogr. B., 2006, 838, 63-70. DOI: 10.1016/j.jchromb.2006.04.047

Manas Chakrabarty, Sandipan Sarkar, Anthony Linden, Bridget K. Stein First general solvent-free synthesis of symmetrical triindolymethanes using acid-washed montmorillonite clay Synth. Commun., 2004, 34, 1801-1810. DOI: 10.1081/SCC-120034161

Kathryn A. Mainwaring, Christopher P. Morley, Stefan H. Doerr, Peter Douglas, Christopher T. Llewellyn, Gareth Llewellyn, Ian Matthews, Bridget K. Stein, Role of heavy polar organic compounds for water repellency of sandy soils Environ. Chem. Lett., 2004, 2, 35-39. DOI: 10.1007/s10311-004-0064-9

R. Jeremy H. Davies, Clarke Stevenson, Shiv Kumar, Jason Lyle, Lisa Cosby, John F. Malone, Derek R. Boyd, Narain D. Sharma, Ann P. Hunter, Bridget K. Stein Oxidation of guanine nucleosides to 4-amidinocarbamoyl-5-hydroxyimidazoles by dimethyldioxirane Nucleosides Nucleotides Nucleic Acids, 2003, 22, 1355-1357. DOI: 10.1081/NCN-120022964

R. Jeremy H. Davies, Clarke Stevenson, Shiv Kumar, Jason Lyle, Lisa Cosby, John F. Malone, Derek R. Boyd, Narain D. Sharma, Ann P Hunter, Bridget K Stein, Novel oxidation products from guanine nucleosides reacted with dimethyldioxirane Chem. Commun., 2002, 13, 1378-1379. DOI: 10.1039/b201418c


For Research Highlights from 2014 onwards please refer to the relevant Annual Reports

1 Chiral Catalysts from Alkaline Earth and Lanthanide Metals, Dr B. D. Ward, Cardiff University
2 Antimicrobial Chemotherapy, Dye Synthesis and Smart Bandages, Dr R. B. Smith, University of Central Lancashire
3 Metal-Catalysed Activation of Single Carbon-Carbon (C‐C) Bonds, Dr C. Aïssa, University of Liverpool
4 Targeted Therapy for Multiple Myeloma (MM): from Proof of Principle in Animal Models to Human Patients, Dr D. J. Mincher, Edinburgh Napier University
5 Diagnostic Reagents, Anti-Microbial Chemistry and Molecular Wires, Prof. S. P. Stanforth, University of Northumbria
6 C-H Activation Processes for Greener Chemistry, Dr I. Larossa, Queen Mary, University of London
7 The Synthesis of η-1,2,3,4,5,6-Hexafluorocyclohexane (Cyclohexane Hexafluoride) from Benzene, Prof. D. O‘Hagan, University of St Andrews
8 Core Chemistry: Using Synthesis to Test the Limits, Prof. J. D. Woollins, University of St Andrews

1 Methods for Stereocontrolled Synthesis and Enantioselective Conversion, Prof. V. K. Aggarwal, University of Bristol
2 Application of a Nano-Cage in Biological Imaging, Dr M. P. Coogan, Cardiff University
3 Reactive Oxygen Species (ROS) and the Relevance to Lifespan, Dr R. C. Hartley, University of Glasgow
4 Synthesis and Properties of BODIPYs, Dr R. W. Boyle, University of Hull
5 Synthesis of Luminescent Metal Complexes for Optoelectronics, Dr P. B. Wyatt, Queen Mary, University of London
6 Discovering Environmentally Friendly Ways of Making New Molecules, Prof. J. C. Walton, University of St. Andrews
7 Identification of Bacteria and Development of Novel Prodrugs for Cystinosis, Prof. R. J. Anderson, University of Sunderland
8 Synthesis of Resorcin[4]Arene-Based Glycoclusters as Multivalent Ligands of Lectins, Dr S. E. Matthews, University of East Anglia

1 Taming of deadly white phosphorous, Dr J. R. Nitschke, University of Cambridge
2 New Practical Methods For Synthesis, Dr N. C. O. Tomkinson, Cardiff University
3 Multimetallic Assemblies using a Bifunctional Dithiocarbamate, Dr. J. D. Wilton-Ely, Imperial College London
4 Low-melting ionic liquids for lunar telescope, Dr M. Deetlefs, The Queen's University of Belfast
5 Synthesis and Reactivity of Amidine Dications, Prof. J. A. Murphy, University of Strathclyde
6 Synthesis And Characterisation Of Bifunctional Aminoboronic Acid Compounds, Dr A. Whiting, Durham University
7 New Catalytic Reactivity Concepts in Organocatalysis, Dr M. Gaunt, University of Cambridge

1 Novel Lipid-Functionalised PNA Monomers as Potential HIV-1 Non-Nucleoside Reverse Transcriptase and/or Integrase Inhibitors, Dr N. M. Howarth, Heriot-Watt University
2 Directed Electron Transfer, Dr A. C. Benniston, Newcastle University
3 Models for Nitric Oxide Synthase (NOS) Enzymes, Prof. D. R. Adams, Heriot-Watt University
4 Synthesis of Marine Polysulfide Natural Products, Dr G. W. Weaver, Loughborough University
5 Porphyrin-Based Optoelectronic Materials, Prof. H. L. Anderson, Oxford University
6 Hybrid Calixarenes, Dr S. P. Bew, University of East Anglia
7 Synthetic Vectors in Gene Therapy and Medical Care, Dr S. E. Matthews, University of East Anglia

1 Total Synthesis of Bioactive Marine Polyketides, Prof. I. Paterson, University of Cambridge
2 Catalytic asymmetric synthesis of silicon-containing bioactives, Dr S. Marsden, University of Leeds
3 Molecular Computing using RNA, Dr J. S. Vyle, The Queen's University of Belfast
4 Porphyrin Based Molecular Wires, Prof. H. L. Anderson, Oxford University
5 The Birth of ‘Super-S.E.T.’ Reagents, Prof. J. A. Murphy, University of Strathclyde
6 Efficient synthesis of lycotetraose, the tetrasaccharide constituent of the tomato defence glycoalkaloid alpha-tomatine, Prof. R. A. Field, University of East Anglia


Mark F. Wyatt MALDI-TOFMS analysis of coordination and organometallic complexes: a nic(h)e area to work in J. Mass Spectrom., 2011, 46, 712-719. DOI: 10.1002/jms.1957

Zhecheng Shao, Mark F. Wyatt, Bridget K. Stein, A. Gareth Brenton Accurate mass measurement by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry. II. Measurement of negative radical ions using porphyrin and fullerene standard reference materials Rapid Commun. Mass Spectrom., 2010, 24, 3052-3056. DOI: 10.1002/rcm.4725

Mark F. Wyatt, Shujing Ding, Bridget K. Stein, A. Gareth Brenton, R. Hugh Daniels Analysis of various organic and organometallic compounds using nanostructure-assisted laser desorption/ionization time-of-flight mass spectrometry (NALDI-TOFMS) J. Am. Soc. Mass Spectrom., 2010, 21, 1256-1259. DOI: 10.1016/j.jasms.2010.03.038

Nia W. Griffiths, Mark F. Wyatt, Suzanna D. Kean, Andrew E. Graham, Bridget K. Stein, A. Gareth Brenton Accurate mass measurement by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry. I. Measurement of positive radical ions using porphyrin standard reference materials Rapid Commun. Mass Spectrom., 2010, 24, 1629-1635. DOI: 10.1002/rcm.4560

A. Gareth Brenton, A. Ruth Godfrey, Mesfer Alamri, Bridget K. Stein, Christopher M. Williams, Ann P. Hunter, Mark F. Wyatt Analysis of large historical accurate mass data sets on sector mass spectrometers Rapid Commun. Mass Spectrom., 2009, 23, 3484-3487. DOI: 10.1002/rcm.4269

Laura Hughes, Mark F. Wyatt, Bridget K. Stein, A. Gareth Brenton Investigation of solvent-free MALDI-TOFMS sample preparation methods for the analysis of organometallic and coordination compounds Anal. Chem., 2009, 81, 543-550. DOI: 10.1021/ac801483d

Mark F. Wyatt, Bridget K. Stein, A. Gareth Brenton Characterisation of organometallic and coordination compounds by solvent-free matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry Analyst, 2008, 133, 47-48. DOI: 10.1039/b713073b

Mark F. Wyatt, Stephen Havard, Bridget K. Stein, A. Gareth Brenton Analysis of transition-metal acetylacetonate complexes by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry Rapid Commun. Mass Spectrom., 2008, 22, 11-18. DOI: 10.1002/rcm.3327

Mark F. Wyatt, Nicolas Schaeffer, Bien Tan, Andrew I. Cooper Strategies for the analysis of poly(methacrylic acid) by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry J. Am. Soc. Mass Spectrom., 2007, 18, 1507-1510. DOI: 10.1016/j.jasms.2007.05.015

Mark F. Wyatt, Bridget K. Stein, A. Gareth Brenton Investigation into accurate mass capability of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry, with respect to radical ion species J. Am. Soc. Mass Spectrom., 2006, 17, 672-675. DOI: 10.1016/j.jasms.2006.01.009

Mark F. Wyatt, Bridget K. Stein, A. Gareth Brenton Characterization of various analytes using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and 2-[(2E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]malononitrile matrix Anal. Chem., 2006, 78, 199-206. DOI: /10.1021/ac050732f


Grants & EPSRC Annual Reviews