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Recent Publications

We're pleased to highlight recent publications made by members of our CDT community.

2021

Influence of Biodiesel on Base Oil Oxidation as Measured by FTICR Mass Spectrometry

Hugh E. Jones, Diana Catalina Palacio Lozano, Chris Huener, Mary J. Thomas, David J. Aaserud, J. Corinne DeMuth, Mathew P. Robin, and Mark P. Barrow, Energy Fuels 2021, 35, 15, 11896–11908, 2021
https://doi.org/10.1021/acs.energyfuels.1c01240

Understanding the interaction of organic corrosion inhibitors with copper at the molecular scale: Benzotriazole on Cu (110)

Marco Turano, Marc Walker, Federico Grillo, Chiara Gattinoni, James Edmondson, Omar Adesida, Gregory Hunt, Paul M. Kirkman, Neville V. Richardson, Christopher J. Baddeley, Angelos Michaelides, Giovanni Costantini,
Applied Surface Science, Volume 570, 2021, 151206, ISSN 0169-4332, DOI: https://doi.org/10.1016/j.apsusc.2021.151206.

Exploring the Blueprint of Photoprotection in Mycosporine-like Amino Acids

Whittock, Abigail L., Auckloo, Nazia, Cowden, Adam M., Turner, Matthew A. P., Woolley, Jack Matthew, Wills, Martin, Corre, Christophe and Stavros, Vasilios G. J. Phys. Chem. Lett.2021, 12, 14, 3641–3646. DOI: https://doi.org/10.1021/acs.jpclett.1c00728

Topology Effects in Molecular Organic Electronic Materials: Pyrene and Azupyrene

Klein, Benedikt P., Ruppenthal, Lukas, Hall, Samuel J., Sattler, Lars E., Weber, Sebastian M., Herritsch, Jan, Jaegermann, Andrea, Maurer, Reinhard J., Hilt, Gerhard and Gottfried, J. Michael, ChemPhysChem, 2021, 22, XX, 1065-1073. DOI:10.1002/cphc.202100222 (In Press)

Minerals in biology and medicine

Oliver W. L. Carter, ab Yingjian Xu and Peter J. Sadler, : RSC Adv., 2021, 11, 1939. DOI: 10.1039/d0ra09992a

Molecular Self-Assembly and Supramolecular Chemistry of Cyclic Peptides

Song Q, Cheng Z, Kariuki M, Hall SCL, Hill SK, Rho JY, Perrier S. Chem. Rev. 2021, XXXX, XXX, XXX-XXX. DOI: 10.1021/acs.chemrev.0c01291

Covalent cell surface recruitment of chemotherapeutic polymers enhances selectivity and activity

Ruben M. F. Tomás and Matthew I. Gibson,  Chem. Sci., 2021, 12, 4557-4569. DOI: 10.1039/D0SC06580C (Edge Article)

Curvature sensing amphipathic helix in the C-terminus of RTNLB13 is conserved in all endoplasmic reticulum shaping reticulons in Arabidopsis thaliana

Brooks, R.L., Mistry, C.S. & Dixon, A.M. Sci Rep 11, 6326 (2021). https://doi.org/10.1038/s41598-021-85866-3


2020

Scanning Ion Conductance Microscopy Reveals Differences in the Ionic Environments of Gram-Positive and Negative Bacteria

Cremin, Kelsey , Jones, Bryn, Teahan, James, Meloni, Gabriel N., Perry, David, Zerfass, Christian, Asally, Munehiro, Soyer, Orkun S. and Unwin, Patrick R. 2020 Analytical Chemistry, 92 (24). pp. 16024-16032. doi:10.1021/acs.analchem.0c03653

Comparison of Fragmentation Techniques for the Structural Characterization of Singly Charged Agrochemicals

Bryan P. Marzullo, Tomos E. Morgan, Christopher A. Wootton, Meng Li, Simon J. Perry, Mansoor Saeed, Mark P. Barrow, and Peter B. O’Connor, Anal. Chem. 2020, 92, 4, 3143–3151. https://doi.org/10.1021/acs.analchem.9b04820

Advantages of Two-Dimensional Electron-Induced Dissociation and Infrared Multiphoton Dissociation Mass Spectrometry for the Analysis of Agrochemicals

Bryan P. Marzullo, Tomos E. Morgan, Christopher A. Wootton, Simon J. Perry, Mansoor Saeed, Mark P. Barrow, and Peter B. O’Connor, Anal. Chem. 2020, 92, 17, 11687–11695. https://doi.org/10.1021/acs.analchem.0c01585

Metallodrugs are unique: opportunities and challenges of discovery and development

Elizabeth J. Anthony, Elizabeth M. Bolitho, Hannah E. Bridgewater, Oliver W. L. Carter, Jane M. Donnelly, Cinzia Imberti, Edward C. Lant, Frederik Lermyte, Russell J. Needham, Marta Palau, Peter J. Sadler, Huayun Shi, Fang-Xin Wang, Wen-Ying Zhang and Zijin Zhang, Chem. Sci., 2020, 11, 12888. DOI: 10.1039/d0sc04082g

Scanning Ion Conductance Microscopy Reveals Differences in the Ionic Environments of Gram-Positive and Negative Bacteria
K. Cremin, B. A. Jones, J. Teahan, G. N. Meloni, D. Perry, C. Zerfass, M. Asally, O. S. Soyer and P. R. Unwin, Anal. Chem., 2020, 92, 16024-16032.

Synchronous Electrical Conductance- and Electron Tunnelling- Scanning Electrochemical Microscopy Measurements
J. F. Edmondson, G. N. Meloni, G. Costantini and P. R. Unwin, ChemElectroChem, 2020, 7, 697-706.

Petroleomics: Tools, Challenges, and Developments, Diana Catalina Palacio Lozano, Mary J. Thomas, Hugh E. Jones, and Mark P. Barrow, Annual Review of Analytical Chemistry, 2020, 13, in press

An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?, Jeffrey A. Hawkes, Juliana D’Andrilli, Rachel L. Sleighter, Hongmei Chen, Patrick G. Hatcher, Amna Ijaz, Maryam Khaksari, Simeon Schum, Lynn Mazzoleni, Rosalie K. Chu, Nikola Tolic, William Kew, Nancy Hess, Jitao Lv, Shuzhen Zhang, Chen He, Quan Shi, Ryan H. S. Hutchins, Diana Catalina Palacio Lozano, Rémy Gavard, Hugh E. Jones, Mary J. Thomas, Mark P. Barrow, Helena Osterholz, Thorsten Dittmar, Carsten Simon, Gerd Gleixner, Stephanie M. Berg, Christina K. Remucal, Núria Catalán, Richard B. Cole, Beatriz E. Noriega-Ortega, Gabriel Singer, Nikola Radoman, Nicholas D. Schmitt, Aron Stubbins, Jeffrey N. Agar, Phoebe Zito, David C. Podgorski, Limnology and Oceanography: Methods, 2020, in press

KairosMS: A New Solution for the Processing of Hyphenated Ultrahigh Resolution Mass Spectrometry Data, Rémy Gavard, Hugh E. Jones, Diana Catalina Palacio Lozano, Mary J. Thomas, David Rossell, Simon E. F. Spencer, Mark P. Barrow, Anal. Chem., 2020, 92 (5), pp. 3775-3786.

Characterization of bio-crude components derived from pyrolysis of soft wood and its esterified product by ultrahigh resolution mass spectrometry and spectroscopic techniques, Diana Catalina Palacio Lozano, Claudia X. Ramírez, José Aristóbulo Sarmiento Chaparro, Mary J. Thomas, Rémy Gavard, Hugh E. Jones, Rafael Cabanzo Hernández, Enrique Mejia-Ospino, Mark P. Barrow, Fuel, 2020, 259, art. no. 116085.

Low DMSO Cryopreservation of Stem Cells Enabled by Macromolecular Cryoprotectants.
Murray, K.A.; Tomás, R.M.F.; Gibson, M.I.
ACS Applied Bio Materials 2020, 3, 5627 - 5632. DOI: 10.1021/acsabm.0c00638
Insights into the Photoprotection Mechanism of the UV Filter Homosalate.
Holt, E.L.; Krokidi, K.M.; Turner, M.A.P.; Mishra, P.; Zwier, T.S.; Rodrigues, N.D.N.; Stavros, V.G.
Physical Chemistry Chemical Physics 2020, 22, 15509 - 15519. DOI: 10.1039/D0CP02610G
100th Anniversary of Macromolecular Science Viewpoint: Re-Engineering Cellular Interfaces with Synthetic Macromolecules Using Metabolic Glycan Labeling.
Tomás, R.M.F.; Gibson, M.I.
ACS Macro Letter 2020, 9, 991 - 1003. DOI: 10.1021/acsmacrolett.0c00317
Asymmetric Trehalose Analogues to Probe Disaccharide Processing Pathways in Mycobacteria.
Parker, H.L.; Tomás, R.M.F.; Furze, C.M.; Guy, C.S.; Fullan, E. .
Organic & Biomolecular Chemistry 2020, 18, 3607 - 3612. DOI: 10.1039/D0OB00253D
Anharmonicity and Scissoring Modes in the Negative Thermal Expansion Materials ScF3 and CaZrF6.
Bird, T.A.; Woodland-Scott, J.; Hu, L; Wharmby, M.T.; Chen, J.; Goodwin, A.L.; Senn, M.S.
Physical Review B 2020, 101, 64306. DOI: 10.1103/PhysRevB.101.064306
Enhanced Bonding of Pentagon–Heptagon Defects in Graphene to Metal Surfaces: Insights from the Adsorption of Azulene and Naphthalene to Pt(111).
Klein, B.P.; Harman, S.E.; Ruppenthal, L.; Ruehl, G.M.; Hall, S.J.; Carey, S.J.; Herritsch, J.; Schmid, M.; Maurer, R.J.; Tonner, R.; Campbell, C.T.; Gottfried, J.M.
Chemistry of Materials 2020, 32, 1041 - 1053. DOI: 10.1021/acs.chemmater.9b03744
Revealing the Mechanism of Protein-Lipid Interactions for a Putative Membrane Curvature Sensor in Plant Endoplasmic Reticulum.
Brooks, R.L.; Dixon, A.M.
Biochimica et Biophysica Acta (BBA) - Biomembranes 2020, 1862, 183160. DOI: 10.1016/j.bbamem.2019.183160

2019

Foroutan, F., McGuire, J., Gupta, P., Athanasios, N., Kyffin, B. A., Kelly, N. L., Hanna, V., John, Gutierrez-Merino, J., Knowles, J. C., Song-Yi, B., Velliou, E. & Carta, D. Antibacterial Copper-Doped Calcium Phosphate Glasses for Bone Tissue Regeneration. Acs Biomater Sci Eng 5, 6054–6062 (2019) DOI: 10.1021/acsbiomaterials.9b01291

Barrioni, B. R., Naruphontjirakul, P., Norris, E., Li, S., Kelly, N. L., Hanna, J. V., Stevens, M. M., Jones, J. R. & Pereira, M. de M. Effects of manganese incorporation on the morphology, structure and cytotoxicity of spherical bioactive glass nanoparticles. J Colloid Interf Sci 547, 382–392 (2019) DOI: 10.1016/j.jcis.2019.04.016

Arz, M. I., Annibale, V. T., Kelly, N. L., V., H., John & Manners, I. Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P-v-O Main Chain. J Am Chem Soc 141, 2894–2899 (2019) DOI: 10.1021/jacs.8b13435

Webber, A. L., Yates, J. R., Zilka, M., Sturniolo, S., Uldry, A.-C., Corlett, E. K., Pickard, C. J., Pérez-Torralba, M., Garcia, M. A., Maria, D. S., Claramunt, R. M. & Brown, S. P. Weak Intermolecular CH···N Hydrogen Bonding: Determination of 13CH– 15N Hydrogen-Bond Mediated J Couplings by Solid-State NMR Spectroscopy and First-Principles Calculations. J Phys Chem 124, 560–572 (2019) DOI: 10.1021/acs.jpca.9b10726

Corlett, E. K., Blade, H., Hughes, L. P., J., S., Philip, Walker, D., Walton, R. I. & Brown, S. P. An XRD and NMR crystallographic investigation of the structure of 2,6-lutidinium hydrogen fumarate. Crystengcomm 21, 3502–3516 (2019) DOI: 10.1039/C9CE00633H

UV irradiation of Cu-based complexes with aliphatic amine ligands as used in living radical polymerization
Liarou, E; Staniforth, M; Town, J.S.; Marathianos, A; Grypioti, M; Li, Y; Chang, Y; Efstathiou, S; Hancox, E; Wemyss, A.M.; Wilson, P; Jones, B.A.; Aljuaid, M; Stavros, V.G.; Haddleton, D.M, European Polymer Journal, 2019, 123,109388, DOI: 10.1016/j.eurpolymj.2019.109388

Controlled synthesis of methacrylate and acrylate diblock copolymers via end-capping using CCTP and FRP.
Patias, G; Wemyss, A.M.; Efstathiou, S; Town, J.S.; Atkins, C.J.; Shegiwal, A; Whitfield, R; and Haddleton, D.M, Polym. Chem, 2019, 10, 6447, DOI:10.1039/c9py01133a

Automatic Peak Assignment and Visualisation of Copolymer Mass Spectrometry Data Using the "Genetic Algorithm" 
Town, J.S.; Gao, Y; Hancox, E; Liarou, E; Shegiwal, A; Atkins, C; Haddleton, D.M, Rapid Communications in Mass Spectrometry, 2019, In Press, DOI: 10.1002/rcm.8654.

Microphase separation of highly amphiphilic, low N polymers by photoinduced copper-mediated polymerization, achieving sub-2nm domains at half-pitch
Hancox, E; Liarou, E; Town, J.S.; Jones, G.R.; Layton, S.A.; Huband, S, Greenall, M.J.; Topham, P.D.; Haddleton D.M Polym. Chem., 2019,10, 6254-6259 DOI: 10.1039/C9PY01312A

Town, J; Jones, G.R.; Hancox, E; Shegiwal, A; Haddleton, D.M., Macromolecular Rapid Communications, 2019, 40, 13, DOI: 10.1002/marc.201900088

Exploiting catalytic chain transfer polymerization for the synthesis of carboxylated latexes via sulfur-free RAFT
Shegiwal, A.; Wemyss, A.M.; Schellekens, M.A.J.; de Bont, J.; Town, J.; Liarou, E.; Patias, G.; Atkins, C.J.; Haddleton, D.M.; J. Polym. Sci., Part A: Polym. Chem. 2019, 57, E1 - E9, DOI: 10.1002/pola.29302

A Simple and Versatile Route to Amphiphilic Polymethacrylates: Catalytic Chain Transfer Polymerisation (CCTP) Coupled with Post-Polymerisation Modifications
Atkins, C.J.; Patias, G.; Town, J.S.; Wemyss, A.M.; Eissa, A.M.; Shegiwala, A.; Haddleton, D.M.; Polym. Chem., 2019,10, 646-655, DOI: 10.1039/C8PY01641K

Boron Doped Diamond as a Low Biofouling Material in Aquatic Environments: Assessment of Pseudomonas aeruginosa Biofilm Formation
L. Simcox, R. P. A. Pereira, E. M. Wellington and J. V. Macpherson, ACS Appl. Mater. Interfaces 2019, 2019, 11, 25024-25033.

Nanoscale Electrochemical Mapping
C. L. Bentley, J. Edmondson, G. N. Meloni, D. Perry, V. Shkirskiy and P. R. Unwin, Anal. Chem., 2019, 91(1), 84-108

Characterization of oil sands naphthenic acids by negative-ion electrospray ionization mass spectrometry: Influence of acidic versus basic transfer solvent, Kerry M. Peru, Mary J. Thomas, Diana Catalina Palacio Lozano, Dena W. McMartin, John V. Headley, Mark P. Barrow, Chemosphere, 2019, 222, pp. 1017-1024.

Petroleomic depth profiling of Staten Island salt marsh soil: 2ω detection FTICR MS offers a new solution for the analysis of environmental contaminants, Mary J. Thomas, Emma Collinge, Matthias Witt, Diana Catalina Palacio Lozano, Christopher H. Vane, Vicky Moss-Hayes, Mark P. Barrow, Science of the Total Environment, 2019, 662, pp. 852-862.

Rhapso: Automatic Stitching of Mass Segments from Fourier Transform Ion Cyclotron Resonance Mass Spectra, Rémy Gavard, Diana Catalina Palacio Lozano, Guzman, A., David Rossell, Simon E. F. Spencer, Mark P. Barrow, Anal. Chem., 2019, 91 (23), pp. 15130-15137.

Pushing the analytical limits: New insights into complex mixtures using mass spectra segments of constant ultrahigh resolving power, Diana Catalina Palacio Lozano, Rémy Gavard, Juan Pablo Arenas-Diaz, Mary J. Thomas, David D. Stranz, Enrique Mejía-Ospino, Alexander Guzman, Simon E. F. Spencer, David Rossell, Mark P. Barrow, Chem. Sci., 2019, 10 (29), pp. 6966-6978.

Molecule–Metal Bond of Alternant versus Nonalternant Aromatic Systems on Coinage Metal Surfaces: Naphthalene versus Azulene on Ag(111) and Cu(111).
Klein, B.P.; Morbec, J.M.; Franke, M.; Greulich, K.K.; Sachs, M.; Parhizkar, S.; Bocquet, F.C.; Hall, S.J.; Schmid, M.; Meyer, B.; Maurer, R.J.; Tonner, R.; Kumpf, C; Kratzer, P.; Gottfried, J.M.
The Journal of Physical Chemistry C 2019, 123, 29219. DOI: 10.1021/acs.jpcc.9b08824
Towards Symmetry Driven and Nature Inspired UV Filter Design.
Horbury, M.D.; Holt, E.L.; Mouterde, L.M.M.; Balaguer, P.; Cebrián, J.; Blasco, L.; Allais, F.; Stavrosm V.G.
Nature Communications 2019, 10, 4748. DOI: 10.1038/s41467-019-12719-z
Extracellular Antifreeze Protein Significantly Enhances the Cryopreservation of Cell Monolayers.
Tomás, R.M.F.; Bailey, T.L.; Hasan, M.; Gibson, M.I.
Biomacromolecules 2019, 20, 3864 - 3872. DOI: 10.1021/acs.biomac.9b00951
Applications of Ultrafast Spectroscopy to Sunscreen Development, From First Principles to Complex Mixtures.
Holt, E.L.; Stavros, V.G.
International Reviews in Physical Chemistry 2019, 38(2), 243 - 285. DOI: 10.1080/0144235X.2019.1663062
Synthetically Scalable Poly(ampholyte) Which Dramatically Enhances Cellular Cryopreservation.
Tomás, R.M.F.; Bailey, T.L.; Stubbs, C.; Murray, K.; Otten, L.; Gibson, M.I.
Biomacromolecules 2019, 20, 3104 - 3114. DOI: 10.1021/acs.biomac.9b00681
Boron Doped Diamond as a Low Biofouling Material in Aquatic Environments: Assessment of Pseudomonas aeruginosa Biofilm Formation.
Simcox, L.J.; Pereira, R.P.A.; Wellington, E.M.H; Macpherson, J.V.
ACS Applied Materials & Interfaces 2019, 11(28), 25024 - 25033. DOI: 10.1021/acsami.9b07245
Optimization and Stability of Cell-Polymer Hybrids Obtained by "Clicking" Synthetic Polymers to Metabolically Labeled Cell Surface Glycans.
Tomás, R.M.F.; Gibson, M.I.
Biomacromolecules 2019, 20, 2726 - 2736. DOI: 10.1021/acs.biomac.9b00478
Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a PV–O Main Chain.
Arz, M.I.; Annibale, V.T.; Kelly, N.L.; Hanna, J.V.; Manners, I.
Journal of the American Chemical Society 2019, 141, 2894. DOI: 10.1021/jacs.8b13435
Characterization of Oil Sands Naphthenic Acids by Negative-ion Electrospray Ionization Mass Spectrometry: Influence of Acidic Versus Basic Transfer Solvent.
Peru, K.M.; Thomas, M.J.; Lozano, D.C.P.; McMartin, D.W.; Headley, J.V.; Barrow, M.P.
Chemosphere 2019, 222, 1017 - 1024. DOI: 10.1016/j.chemosphere.2019.01.16
Petroleomic Depth Profiling of Staten Island Salt Marsh Soil: 2ω Detection FTICR MS Offers a New Solution for the Nnalysis of Environmental Contaminants.
Thomas, M.J.; Collinge, E.; Witt, M.; Lozano, D.C.P.; Vane, C.H.; Moss-Hayes, V.; Barrow, M.P.
Science of The Total Environment 2019, 662, 852 - 862. DOI: 10.1016/j.scitotenv.2019.01.228
Petroleomic Depth Profiling of Staten Island Salt Marsh Soil: 2ω Detection FTICR MS Offers a New Solution for the Nnalysis of Environmental Contaminants
Thomas, M.J.; Collinge, E.; Witt, M.; Lozano, D.C.P.; Vane, C.H.; Moss-Hayes, V.; Barrow, M.P.
Science of The Total Environment 2019, 662, 852 - 862. DOI: 10.1016/j.scitotenv.2019.01.228
Nanoscale Electrochemical Mapping.
Bentley, C.L.; Edmondson, J.; Meloni, G.N.; Perry, D.; Shkirskiy, V.; Unwin, P.R.
Analytical Chemistry 2019, 91, 84 - 108. DOI: 10.1021/acs.analchem.8b05235

2018

Engineering Cell Surfaces by Covalent Grafting of Synthetic Polymers to Metabolically-Labeled Glycans.
Tomás, R.M.F.; Martyn, B.; Bailey, T.L.; Gibson, M.I.
ACS Macro Letters 2018, 7, 1289 - 1294. DOI: 10.1021/acsmacrolett.8b00675
Photochemical “In‐Air” Combinatorial Discovery of Antimicrobial Co‐polymers.
Richards, S.J.; Jones, A.; Tomás, R.M.F.; Gibson, M.I.
Chemistry - A European Journal 2018, 24. DOI: 10.1002/chem.201802594
An Investigation into the Crystalline Morphology Transitions in Poly-L-Lactic Acid (PLLA) Under Uniaxial Deformation in the Quasi-solid-state Regime.
Billimoria, K.; Heeley, E.L.; Parsons, N.; Figiel, L.
European Polymer 2018, 101, 127 - 139. DOI: 10.1016/j.eurpolymj.2018.01.031

2017

Themis: Batch Preprocessing for Ultrahigh-Resolution Mass Spectra of Complex Mixtures, Remy Gavard, David Rossell, Simon E. F. Spencer, and Mark P. Barrow, Anal. Chem., 2017, 89, pp. 11383–11390

Superacid-Treated Silicon Surfaces: Extending the Limit of Carrier Lifetime for Photovoltaic Applications.
Grant, N.E.; Niewelt, T.; Wilson, N.R.; Wheeler-Jones, E.C.; Bullock, J.; Al-Amin, M.; Schubert, M.C.; van Veen, A.C.; Javey, A.
IEEE Journal of Photovoltaics 2017, 7, 1574. DOI: 10.1109/JPHOTOV.2017.2751511
Themis: Batch Preprocessing for Ultrahigh-Resolution Mass Spectra of Complex Mixtures.
Garvard, R.; Rossell, D.; Spencer, S.E.F; Barrow, M.P.
Analytical Chemistry 2017, 89, 11383 - 11390. DOI: 10.1021/acs.analchem.7b02345
Tracking the Dissolution of Calcite Single Crystals in Acid Waters: A Simple Method for Measuring Fast Surface Kinetics.
Adobes-Vidal, M.; Pearce, H.; Unwin, P.R.
PCCP 2017. DOI: 10.1039/C7CP02252B
Tracking the Dissolution of Calcite Single Crystals in Acid Waters: A Simple Method for Measuring Fast Surface Kinetics.
Pöppler, A.C.; Corlett, E.K.; Pearce, H.; Seymour, M.P.; Reid, M.; Montgomery, M.G.; Brown, S.P.
Acta Cryst. C 2017, C73, 149 - 156. DOI: 10.1107/S2053229617000870