Ring buckling and C=N isomerization pathways for efficient photoprotection in two nature-inspired UVA sunscreens revealed through ultrafast dynamics and high-level calculations

Cowden, A.M.; Losantos, R.; Whittock, A.L.; Penin, B.; Sampedri, D. and Stavros V.G.; Photochem Photobiol. (2023); 00: 1-16; https://doi.org/10.1111/php.13823

Synthesis and characterisation of novel composite sunscreens containing both avobenzone and octocrylene motifs

Cowden, A.M.; Whittock A.L.; Holt, E.L.; Stavros V.G and Wills, M.; RSC Advances; (2023) 25, 16773-17464; https://doi.org/10.1039/D3RA02252H

Examining the substituent effect on mycosporine-inspired ultraviolet filters

Whittock A.L.; Cowden, A.M.; Wills, M. and Stavros V.G.; Phys. Chem. Chem. Phys., 2023,25, 7401-7406 (2023); https://doi.org/10.1039/D2CP05934G

Synthesis of a nanoscale Cu(ii)31-oxo-carboxylate cluster, and effect of Cu–oxo cluster size on visible-light absorption

Barnes, T.J.; Payne, J.; Pike, S.D.

Chemical Communications, Advanced Article (2022); https://doi.org/10.1039/D2CC05478G

Catalysis in Space Environments

Saravanabavan, S.; Kaur, M.; Coulthard, C.T.; Brinkert, K.

Online Wiley, Volume 1, p 141-162 (2022); https://doi.org/10.1002/9783527830909.ch7

Revealing the Reactivity of Individual Chemical Entities in Complex Mixtures: the Chemistry Behind Bio-Oil Upgrading

Lozano, D.C.P.; Jones, H.E.; Gavard, R.; Thomas, M.J.; Ramirez, C.X.; Wootton, C.A.; Chaparro, J.A.S.; O'Connor, P.B.; Spencer, S.E.F.; Rossell, D.; Mejia-Ospino, E.; Witt, M .; Barrow, M.P.

Analytical Chemistry, Volume 94 Issue 21, (2022); http://dx.doi.org/10.1021/acs.analchem.2c00261

Effect of Electron Donating/Withdrawing Groups on Molecular Photoswitching of Functionalized Hemithioindigo Derivatives: a Computational Multireference Study

Lea, M.R.; Stavros, V.G.; Maurer, R.J.

ChemPhotoChem, e202100290 (2022); https://doi.org/10.1002/cptc.202100290 

Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces

Chaudhuri, S.; Hall, S.J.; Klein, B.P.; Walker, M.; Logsdail, A.J.; Macpherson, J.V.; Maurer, R.J.

Communications Materials volume 3, Article number: 6 (2022); https://doi.org/10.1038/s43246-022-00228-4

Comprehensive analysis of multiple asphaltene fractions combining statistical analyses and novel visualization tools

Thomas, M.J.; Jones, H.E.; Lozano, D.C.P.; Gavard, R.; Carney, S.; Barrow, M.P.

Fuel volume 291; http://dx.doi.org/10.1016/j.fuel.2021.120132

Unlocking the potential of biofuels via reaction pathways in van Krevelen diagrams

Lozano, D.C.P.; Jones, H.E.; Reina, T.R.; Volpe, R.; Barrow, M.P.

Green Chem. volume 23 issue 22; http://dx.doi.org/10.1039/d1gc01796a

Ultrafast transient absorption spectroelectrochemistry: femtosecond to nanosecond excited-state relaxation dynamics of the individual components of an anthraquinone redox couple

Goia, S.; Turner, M.A.P.; Woolley, J.; Horbury, M.D.; Borrill, A.J.; Tully, J.J.; Cobb, S.J.; Staniforth, M.; Hine, N.D.M.; Burriss, A.; MacPherson, J.V.; Robinson, B.R.; Stavros, V.G.

Chemical Science, 13, 486-496, (2021); https://doi.org/10.1039/D1SC04993C 

Efficient Artificial Light-Harvesting System Based on Supramolecular Peptide Nanotubes in Water

Song, Q.; Goia, S.; Yang, J.; Hall, S.C.L.; Staniforth, M.; Stavros, V.G.; Perrier, S.

Journal of the American Chemical Society, 143, 382-389, (2021); https://doi.org/10.1021/jacs.0c11060 

The nuts and bolts of core-hole constrained ab initio simulation for K-shell x-ray photoemission and absorption spectra

Klein, B.P.; Hall, S.J.; Maurer, R.J.

Journal of Physics: Condensed Matter, 33, 15.; https://doi.org/10.1088/1361-648X/abdf00

Assessing and rationalizing the performance of Hessian update schemes for reaction path Hamiltonian rate calculations.

R. Chantreau Majerus, C. Robertson, S. Habershon

J. Chem. Phys. 155, 204112 (2021); https://doi.org/10.1063/5.0064685

Determining the photostability of avobenzone in sunscreen formulation models using ultrafast spectroscopy

Holt Emily, Rodrigues NDN, Cebrián J, Stavros VG. Phys Chem Chem Phys. 2021 Nov 3;23(42):24439-24448. doi: 10.1039/d1cp03610f. PMID: 34694312.

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

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.0c01291Link opens in a new window

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/D0SC06580CLink opens in a new window (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

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?

Hawkes, J.A.; D'Andrilli, J.; Agar, J.N.; Barrow, M.P.; Berg, S.M.; Catalan, N.; Chen, H.M.; Chu, R.K.; Cole, R.B.; Dittmar, T.; Gavard, R.; Gleixner, G.; Hatcher, P.G.; He, C.; Hess, N.J.; Hutchins, R.H.S.; Ijaz, A.; Jones, H.E.; Kew, W.; Khaksari, M.; Lozano, D.C.P.; Lv, J.; Mazzoleni, L.R.; Noriega-Ortega, B.E.; Osterholz, H.; Radoman, N.; Remucal, C.K.; Schmitt, N.D.; Schum, S.K.; Shi, Q.; Simon, C.; Singer, G.; Sleighter, R.L.; Stubbins, A.; Thomas, M.J.; Tolic, N.; Zhang, S.Z.; Zito, P.; Podgorski, D.C.

Limnol. Oceanogr. Meth. volume 18 issue 6; http://dx.doi.org/10.1002/lom3.10364

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.

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.2019.04.016Link opens in a new window

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/C9CE00633HLink opens in a new window

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

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.