NMSF Research Articles, Posters and More

Research Articles

Luna, L.H.; Aranda, C.M.; Santos A.L.; Donoghue, H.D.; Lee, O.Y.; Wu,H.H.T; Besra, G.S.; Minnikin, D.E.; Llewellyn, G.; Williams, C.M.; Ratto, N. Oldest evidence of tuberculosis in Argentina: A multidisciplinary investigation in an adult male skeleton from Saujil, Tinogasta, Catamarca (905–1030 CE) Tuberculosis, 2020, 125, 101995. DOI: 10.1016/

Owen, R.N.; Kelly, S.L.; Brenton, A.G. Towards a universal ion source: Glow Flow mass spectrometry Int. J. Mass Spectrom., 2021, 466, 116603. DOI: 10.1016/J.IJMS.2021.116603

Luke, J.; Speller, E. M.; Wadsworth, A.; Wyatt, M. F.; Dimitrov, S.; Lee, H. K. H.; Li, Z.; Tsoi, W. C.; McCulloch, I.; Bagnis, D.; Durrant, J. R.; Kim, J.-S. Twist and Degrade—Impact of Molecular Structure on the Photostability of Nonfullerene Acceptors and Their Photovoltaic Blends Advanced Energy Materials, 2019, 9 (15), 1803755. DOI: 10.1002/aenm.201803755

Speller, E. M.; Aristidou, N.; Wyatt, M. F.; Francàs, L.; Fish, G.; Cha, H.; Lee, H. K. H.; Luke, J.; Wadsworth, A.; Clarke, A.; Evans, A.; McCulloch, I.; Kim, J.-S.; Haque, S.; Durrant, J. R.; Dimitrov, S.; Tsoi, W. C.; Li, Z. Toward Improved Environmental Stability of Polymer:Fullerene and Polymer:Non-fullerene Organic Solar Cells: A Common Energetic Origin of Light and Oxygen Induced Degradation ACS Energy Letters, 2019, 4 (4), 846–852. DOI: 10.1021/acsenergylett.9b00109

Dong, R.; Liu, R.; Gaffney, P. R. J.; Schaepertoens, M.; Marchetti, P.; Williams, C. M.; Chen, R.; Livingston, A. G. Sequence-defined multifunctional polyethers via liquid-phase synthesis with molecular sieving Nature Chemistry, 2019, 11, 136-145. DOI: 10.1038/s41557-018-0169-6

Harrison Ka Hin Lee, Andrew M. Telford, Jason A. Röhr, Mark F. Wyatt, Beth Rice, Jiaying Wu, Alexandre de Castro Maciel, Sachetan M. Tuladhar, Emily Speller, James McGettrick, Justin R. Searle, Sebastian Pont, Trystan Watson, Thomas Kirchartz, James R. Durrant, Wing C. Tsoi, Jenny Nelson, Zhe Li The role of fullerenes in the environmental stability of polymer:fullerene solar cells Energy & Environmental Science, 2018, 11, 417. DOI: 10.1039/c7ee02983g

Cha, H.; Wu, J.; Wadsworth, A.; Nagitta, J.; Limbu, S.; Pont, S.; Li, Z.; Searle, J. R.; Wyatt, M. F.; Baran, D.; Kim, J.-S.; McCulloch, I.; Durrant, J. R. An efficient, 'burn in' free organic solar cell employing a non-fullerene electron acceptor Advanced Materials, 2017, 29, 1701156. DOI: 10.1002/adma.201701156

Newland, RJ, Wyatt, MF, Wingad, RL, Mansell, SM A ruthenium(II) bis(phosphinophosphinine) complex as a precatalyst for transfer-hydrogenation and hydrogen-borrowing reactions Dalton Transactions, 2017, 46(19), 6172-6176. DOI: 10.1039/c7dt01022b

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


Glow Flow: a step towards a universal ion source, Owen, R.N., Kelly, S.L, Brenton, A.B., 305259, Monday, Proceedings of the 68th ASMS Conference on Mass Spectrometry and Allied Topics, Online Meeting, June 1-12, 2020

2018 A Compact Ion Source for Polar and Non-Polar Compounds

2018 The Application of Gas Chromatography/ Atmospheric Pressure Chemical Ionisation (APGC) Time-of-Flight Mass Spectrometry to compound identification in Biofuels

2016 Flowing Atmospheric Pressure Afterglow (FAPA) Ionisation Source to Extend Analytical Capability

2015 Flowing Atmospheric Pressure Afterglow (FAPA) Ionisation Source to Extend the Capability of an Orbitrap MS

2014 Rejuvenation of Negative Ion Chemical Ionisation Mass Spectrometry for the Lipid Biomarker Detection of Tuberculosis and Leprosy in Archaeological Materials

2013 Accurate Mass Report Generation with Spectral Accuracy Isotope Scoring within a high throughput laboratory

2012 The initial ion velocity of MALDI-TOFMS matrix DCTB and the affect upon mass accuracy of high molecular weight radical ions

2011 Investigation of Isotope Ratios using an LTQ-Orbitrap XL

2010 Investigating Isotope Ratios using an LTQ-Orbitrap XL

2010 Comparison of Charge-Transfer Matrices for the Generation of Very Large Positive Radical Ions (>100 kDa) by MALDI-TOFMS

2009 Analysis of Boronic Acids Without Chemical Derivatisation

2008 Accurate Mass Measurement in a Service Environment

2008 Accurate mass measurement of Negative Radical Ions by MALDI-TOF MS

2007 Further Developments in the Application of Solvent-free Preparation Methods for MALDI-TOFMS

2007 Further Applications of MALDI-TOFMS

2006 Porphyrin Calibration Standards for Accurate Mass Measurement of Radical Ions by MALDI-TOFMS

2006 Investigation of Surface-Assisted (SA)LDI-TOFMS for the Characterisation of Organometallic and Coordination Compounds

2006 Application of Solvent-free Sample Preparation Methods for MALDI-TOFMS to Organometallic and Coordination Compounds

2005 Investigation of Solventless Sample Preparation Methods for MALDI-TOF-MS