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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;

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;

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);

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);

Catalysis in Space Environments

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

Online Wiley, Volume 1, p 141-162 (2022);

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);

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);  

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.

 volume 3, Article number: 6 (2022);

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;

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;

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);  

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);  

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.;

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);

Holt Emily, Rodrigues NDN, Cebri谩n J, Stavros VG. Phys Chem Chem Phys. 2021 Nov 3;23(42):24439-24448. . PMID: 34694312.

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:

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:

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: (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:

Covalent cell surface recruitment of chemotherapeutic polymers enhances selectivity and activity

Ruben M. F. Tom谩s and Matthew I. Gibson,  , 2021, 12, 4557-4569. DOI: (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).

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:

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鈥機onnor, 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鈥機onnor, 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

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.

J. F. Edmondson, G. N. Meloni, G. Costantini and P. R. Unwin, ChemElectroChem, 2020, 7, 697-706.

, 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;

, R茅my 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.

, Diana Catalina Palacio Lozano, Claudia X. Ram铆rez, Jos茅 Arist贸bulo Sarmiento Chaparro, Mary J. Thomas, R茅my Gavard, Hugh E. Jones, Rafael Cabanzo Hern谩ndez, 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:

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:

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:

Webber, A. L., Yates, J. R., Zilka, M., Sturniolo, S., Uldry, A.-C., Corlett, E. K., Pickard, C. J., P茅rez-Torralba, M., Garcia, M. A., Maria, D. S., Claramunt, R. M. & Brown, S. P. Weak Intermolecular CH路路路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:

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:

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:

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:

 
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.

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

L. Simcox, R. P. A. Pereira, E. M. Wellington and J. V. Macpherson, ACS Appl. Mater. Interfaces 2019, 2019, 11, 25024-25033.

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

, 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.

, 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.

, R茅my Gavard, Diana Catalina Palacio Lozano, Guzman, A., David Rossell, Simon E. F. Spencer, Mark P. Barrow, Anal. Chem., 2019, 91 (23), pp. 15130-15137.

, Diana Catalina Palacio Lozano, R茅my Gavard, Juan Pablo Arenas-Diaz, Mary J. Thomas, David D. Stranz, Enrique Mej铆a-Ospino, Alexander Guzman, Simon E. F. Spencer, David Rossell, Mark P. Barrow, Chem. Sci., 2019, 10 (29), pp. 6966-6978.