Items where Division is "Department of Chemistry" and Year is 2025

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Number of items: 55.

A

Adair, L. R., Jones, I. M. ORCID: https://orcid.org/0000-0002-7738-2516 and Cramer, R. ORCID: https://orcid.org/0000-0002-8037-2511 (2025) Speciation analysis of fungi by liquid atmospheric pressure MALDI mass spectrometry. Analytical and Bioanalytical Chemistry, 417 (26). pp. 5957-5969. ISSN 1618-2642 doi: 10.1007/s00216-025-06094-6

Adair, L. R., Lewis, M. E. ORCID: https://orcid.org/0000-0001-6224-0278 and Cramer, R. ORCID: https://orcid.org/0000-0002-8037-2511 (2025) Rapid and accurate biological sex estimation by LAP-MALDI MS analysis of child teeth. Analyst, 150 (18). pp. 4051-4058. ISSN 0003-2654 doi: 10.1039/D5AN00636H

Adair, L. R., Lewis, M. E. ORCID: https://orcid.org/0000-0001-6224-0278, Collins, M. J. and Cramer, R. ORCID: https://orcid.org/0000-0002-8037-2511 (2025) LAP-MALDI MS analysis of amelogenin from teeth for biological sex estimation. Journal of Pharmaceutical and Biomedical Analysis, 255. 116599. ISSN 0731-7085 doi: 10.1016/j.jpba.2024.116599

Adak, A., Castelletto, V., de Mello, L. ORCID: https://orcid.org/0000-0001-7630-5087, Mendes, B., Barrett, G. ORCID: https://orcid.org/0000-0003-1509-0179, Seitsonen, J. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2025) Effect of chirality and amphiphilicity on the antimicrobial activity of tripodal lysine-based peptides. ACS Applied Bio Materials, 8 (1). pp. 803-813. ISSN 2576-6422 doi: 10.1021/acsabm.4c01635

Agg, K. J., Groves, T. S., Miao, S., Fung, Y. K. C., Alderman, O. L. G., Headen, T. F., Hughes, T.-L., Smith, G. N., Youngs, T. G. A., Tellam, J. P., Chen, Y., Perkin, S. and Hallett, J. E. ORCID: https://orcid.org/0000-0002-9747-9980 (2025) Specific ion effects enhance local structure in zwitterionic osmolyte solutions. Chemical Science, 16. pp. 6770-6779. ISSN 2041-6520 doi: 10.1039/d5sc00286a

Aljohani, S., Edmonds, A. G., Castelletto, V., Seitsonen, J., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Symonds, P., Brentville, V. A., Durrant, L. G. and Mitchell, N. J. (2025) In vivo evaluation of Pam2Cys‐modified cancer‐testis antigens as potential self‐adjuvanting cancer vaccines. Journal of Peptide Science, 31 (6). e70022. ISSN 1075-2617 doi: 10.1002/psc.70022

Alshammari, M. N. (2025) Analysis of pesticides by using GC-EI-MS and GC-DBDI-MS. PhD thesis, University of Reading. doi: 10.48683/1926.00123528

B

Bangay, W., Yandrasits, M. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2025) Understanding the hydrocarbon – PFSA ionomer conductivity gap in hydrogen fuel cells. Physical Chemistry Chemical Physics, 27 (16). pp. 8305-8319. ISSN 1463-9076 doi: 10.1039/d5cp00334b

Bhaumik, H., Hallett, J. E. ORCID: https://orcid.org/0000-0002-9747-9980, Liverpool, T. B., Jack, R. L. and Royall, C. P. (2025) Cyclically sheared colloidal gels: structural change and delayed failure time. Soft Matter, 21 (44). pp. 8555-8568. ISSN 1744-683X doi: 10.1039/d5sm00647c

Bos, J.-W. G., Mohanty, T., Sparks, T. D., Xie, W., Weidenkaff, A., Grasso, S., Zhang, R., Reece, M. J., Wang, T., Son, J. S., Akbar, S., Nandhakumar, I. S., Tuley, R., Koz, C., He, R., Ying, P., Bahrami, A., Pacheco, V., Nielsch, K., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Antunes, L. M., Butler, K. T., Neophytou, N., Dutt, R., Sahni, B., Chauhan, N. S., Mori, T., Parzer, M., Garmroudi, F., Riss, A., Bauer, E., Zeng, C., Bilotti, E., You, C., Fenwick, O., Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262, Guilmeau, E., Das, A., Biswas, K., Liu, Y., Fu, C., Zhu, T., Rogl, G., Rogl, P. F., Mangelis, P., Kyratsi, T. and Funahashi, R. (2025) 2025 roadmap toward sustainable thermoelectrics. Journal of Physics: Energy. ISSN 2515-7655 doi: 10.1088/2515-7655/ae2d98 (In Press)

Butler, I. R. ORCID: https://orcid.org/0000-0001-9430-095X, Horton, P. N., Coles, S. J. ORCID: https://orcid.org/0000-0001-8414-9272, Clegg, W., Fortune, K. M., Drew, M. G. B. and Suwada, K. (2025) A rare thermochromic Zwitterionic nickel (II) complex of the bulky alpha ligand 1,2-Bis-(di-tbutylphosphinomethyl)benzene. Inorganics, 13 (9). 291. ISSN 2304-6740 doi: 10.3390/inorganics13090291

C

Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2025) Variable-temperature token sampling in decoder-GPT molecule-generation can produce more robust and potent virtual screening libraries. Physical Chemistry Chemical Physics, 27 (27). pp. 14455-14468. ISSN 1463-9076 doi: 10.1039/D5CP00692A

Castelletto, V., de Mello, L. ORCID: https://orcid.org/0000-0001-7630-5087, Seitsonen, J. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2025) Fibrillization versus coacervation in arginine-tryptophan repeat peptides: effects of sequence length and pH. Materials Advances, 6 (22). pp. 8670-8685. ISSN 2633-5409 doi: 10.1039/D5MA01006C

Castelletto, V., de Mello, L. R. ORCID: https://orcid.org/0000-0001-7630-5087, Pelin, J. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2025) Self-assembly of toll-like receptor (TLR2/6) agonist lipidated amino acid or peptide conjugates: distinct morphologies and bioactivities. Bioconjugate Chemistry, 36 (4). pp. 792-802. ISSN 1043-1802 doi: 10.1021/acs.bioconjchem.5c00051

D

de Mello, L. R., Castelletto, V., Cavalcanti, L., Seitsonen, J. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2025) Self‐assembly of a conjugate of lipoic acid with a collagen‐stimulating pentapeptide showing cytocompatibility and wound healing properties, and chemical and photolytic disassembly. Journal of Peptide Science, 31 (3). e70002. ISSN 1075-2617 doi: 10.1002/psc.70002

F

Fogarty, R. M., Matthews, R. P., Hunt, P. A. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2025) Accurate prediction of ionic liquid density-of-states from low-cost calculations. Physical Chemistry Chemical Physics, 27 (17). pp. 9068-9075. ISSN 1463-9076 doi: 10.1039/D5CP00214A

G

Gavriel, A. G., Leroux, F., Chippindale, A. M. ORCID: https://orcid.org/0000-0002-5918-8701, Sambrook, M. R., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 and Russell, A. T. (2025) Synthesis of dendritic self-immolative molecules triggered by reactive electrophilic alkylating agents: assessment for colorimetric disclosure of such agents. Tetrahedron, 169. 134377. ISSN 0040-4020 doi: 10.1016/j.tet.2024.134377

Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Hamad, S., Balestra, S. R. G., Issa, R., Sparks, T. D., Fernandes, A., Griffiths, B. L., Moran, R. F., McKay, D. and Ashbrook, S. E. (2025) Capturing local compositional fluctuations in NMR modelling of solid solutions. Chemical Science, 16 (41). pp. 19357-19369. ISSN 2041-6520 doi: 10.1039/d5sc04550a

Greenland, B. W. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991, eds. (2025) Healable polymer systems: fundamentals, synthesis and applications. Polymer Chemistry Series, 41. Royal Society of Chemistry. ISBN 9781837670444 doi: 10.1039/9781837673537

Greenland, B. W. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991, eds. (2025) Healable polymer systems: fundamentals, synthesis and applications. Polymer Chemistry Series. Royal Society of Chemistry. ISBN 9781837670444 doi: 10.1039/9781837673537

Griffiths, P. T., Wilcox, L. J. ORCID: https://orcid.org/0000-0001-5691-1493, Allen, R. J., Naik, V., O'Connor, F. M., Prather, M., Archibald, A., Brown, F., Deushi, M., Collins, W. ORCID: https://orcid.org/0000-0002-7419-0850, Fiedler, S., Oshima, N., Murray, L. T., Samset, B. H., Smith, C. ORCID: https://orcid.org/0000-0002-5911-5836, Turnock, S., Watson-Parris, D. and Young, P. J. (2025) Opinion: the role of AerChemMIP in advancing climate and air quality research. Atmospheric Chemistry and Physics, 25 (14). pp. 8289-8328. ISSN 1680-7316 doi: 10.5194/acp-25-8289-2025

Groves, T. S., Agg, K. J., Miao, S., Headen, T. F., Youngs, T. G. A., Smith, G. N., Perkin, S. and Hallett, J. E. ORCID: https://orcid.org/0000-0002-9747-9980 (2025) Lithium solvation and anion-dominated domain structure in water-in-salt electrolytes. EES Batteries. ISSN 3033-4071 doi: 10.1039/D5EB00105F

H

Halder, B., Middya, P., Frontera, A. ORCID: https://orcid.org/0000-0001-7840-2139, Drew, M. G. B. and Chattopadhyay, S. (2025) The interplay between coordination and non-covalent interactions in three zinc coordination polymers. CrystEngComm, 27 (33). pp. 5583-5594. ISSN 1466-8033 doi: 10.1039/d5ce00505a

Hall, C. (2025) Spinel oxides for photocatalytic water splitting: a computational and experimental study. PhD thesis, University of Reading. doi: 10.48683/1926.00128089

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Castelletto, V. (2025) Small-angle scattering studies on diverse peptide-based nanotube and helical ribbon structures reveal distinct form and structure factors. Journal of Applied Crystallography, 58 (4). pp. 1311-1321. ISSN 0021-8898 doi: 10.1107/S1600576725004637

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Adak, A., Castelletto, V. and Seitsonen, J. (2025) Comparison of the self-assembly and conformations of glucose- and galactose-based glycopyranosides in dilute aqueous solution. Langmuir, 41 (37). pp. 25221-25229. ISSN 0743-7463 doi: 10.1021/acs.langmuir.5c02346

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Castelletto, V., Rowding, C., Wilkinson, C., de Mello, L. R. d. ORCID: https://orcid.org/0000-0001-7630-5087, Mendes, B., Barrett, G. ORCID: https://orcid.org/0000-0003-1509-0179 and Seitsonen, J. (2025) Diverse nanostructures and antimicrobial activity of lipopeptides bearing lysine-rich tripeptide sequences. Soft Matter, 21. pp. 6058-6069. ISSN 1744-683X doi: 10.1039/D5SM00432B

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, de Mello, L. R. ORCID: https://orcid.org/0000-0001-7630-5087, Castelletto, V., Zinn, T., Cowieson, N., Seitsonen, J. and Bizien, T. (2025) Semaglutide aggregates into oligomeric micelles and short fibrils in aqueous solution. Biomacromolecules, 26 (6). pp. 3786-3794. ISSN 1525-7797 doi: 10.1021/acs.biomac.5c00342

Harle, J. and Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2025) Benchmark CCSD(T) and density functional theory calculations of biologically relevant catecholic systems. Journal of Physical Chemistry B, 129 (20). pp. 4879-4894. ISSN 1520-6106 doi: 10.1021/acs.jpcb.4c08356

Hart, L. R., Touré, A. B.R., Owen, R., Putri, N. R.E., Hague, R. J.M., Alexander, M. R., Rose, F. R.A.J., Zhou, Z., Irvine, D. J., Ruiz-Cantu, L., Turyanska, L., He, Y., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 and Wildman, R. D. (2025) Screening of modular supramolecular star polymers for 3D printing of biomedical devices. Materials Today Communications, 45. 112206. ISSN 2352-4928 doi: 10.1016/j.mtcomm.2025.112206

Hyder, M. (2025) Debond-on-demand polymeric adhesives for inkjet printing. PhD thesis, University of Reading. doi: 10.48683/1926.00123593

Hyder, M. J., Godleman, J., Kyriacou, A., Reynolds, S. W., Hallett, J. E. ORCID: https://orcid.org/0000-0002-9747-9980, Zinn, T., Harries, J. L. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2025) Recyclable base-triggered ‘debond-on-demand’ aliphatic polyurethane adhesives: engineering adhesion for use in inkjet formulations. ACS Applied Engineering Materials, 3 (8). pp. 2550-2563. ISSN 2771-9545 doi: 10.1021/acsaenm.5c00390

Hyder, M. J., Godleman, J., Kyriacou, A., Reynolds, S. W., Hallett, J. E. ORCID: https://orcid.org/0000-0002-9747-9980, Zinn, T., Harries, J. L. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2025) Recyclable base-triggered “debond-on-demand” aliphatic polyurethane adhesives: engineering adhesion for use in inkjet formulations. ACS Applied Engineering Materials, 3 (8). pp. 2550-2563. ISSN 2771-9545 doi: 10.1021/acsaenm.5c00390

Hyder, M. J., Godleman, J., Chippindale, A. M. ORCID: https://orcid.org/0000-0002-5918-8701, Hallett, J. E. ORCID: https://orcid.org/0000-0002-9747-9980, Zinn, T., Harries, J. L. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2025) Thermally and base triggered ‘debond-on-demand’ chain-extended polyurethane adhesives. Macromolecules, 58 (1). pp. 681-696. ISSN 0024-9297 doi: 10.1021/acs.macromol.4c02775

Hyder, M., Duval, C., McGregor, L. J., Tareq, A. Z., O'Donnell, A. D., Chippindale, A. M. ORCID: https://orcid.org/0000-0002-5918-8701, Harries, J. L. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2025) Supramolecular Comb Polymers featuring aromatic urea receptor pendant units – the effect of aromatic substitution on material properties. Polymer, 337. 128993. ISSN 0032-3861 doi: 10.1016/j.polymer.2025.128993

I

Ibraheem, M. A. (2025) Developing nanoscale structures in electrospun fibres. PhD thesis, University of Reading. doi: 10.48683/1926.00125446

K

Kawafi, A., Kürten, L., Ortlieb, L., Yang, Y., Mauleon Amieva, A., Hallett, J. ORCID: https://orcid.org/0000-0002-9747-9980 and Royall, C. P. (2025) Colloidoscope: detecting dense colloids in 3D with deep learning. Soft Matter, 21 (32). pp. 6338-6352. ISSN 1744-683X doi: 10.1039/D4SM01307G

L

Liu, Y. ORCID: https://orcid.org/0000-0001-5924-9730, Liu, Y. ORCID: https://orcid.org/0000-0001-9862-5786 and Drew, M. G. B. ORCID: https://orcid.org/0000-0001-8687-3440 (2025) Recognizing problems in publications concerned with microwave absorption film and providing corrections: a focused review. Industrial & Engineering Chemistry Research, 64 (7). pp. 3635-3650. ISSN 1520-5045 doi: 10.1021/acs.iecr.4c04544

M

MacKay, J., Hart, L. R., Tareq, A. Z., Wang, S., Gonzalez Abrego, V., Maskery, I., Irvine, D., Wildman, R. D. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2025) 4D printed polymethacrylate lattices capable of dimensional switching and payload release via photoresponsive actuation of azobenzene units. Materials Advances. ISSN 2633-5409 doi: 10.1039/D5MA00670H

Makama, B. and Harwood, L. ORCID: https://orcid.org/0000-0002-8442-7380 (2025) Green SN2: a novel ionic liquid-mediated finkelstein reaction for safer, superior alkyl halide synthesis in undergraduate organic chemistry. American Journal of Chemical Engineering, 13 (5). pp. 97-100. ISSN 2330-8605 doi: 10.11648/j.ajche.20251305.11

O

O'Toole, R. C. P. (2025) Rotaxanes in lipid environments. PhD thesis, University of Reading. doi: 10.48683/1926.00127824

P

Parker, L. G., Towers Tompkins, F. K., Seymour, J. M., Alblewi, N., Gousseva, E., Daw, M. R., Hayama, S., Matthews, R. P., Fouda, A. E. A., Elliott, J. D., Smith, C. D. ORCID: https://orcid.org/0000-0002-5911-5836 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2025) Determining structure and Zn-specific Lewis acid-base descriptors for diorganozincs in non-coordinating solvents using X-ray spectroscopy. Communications Chemistry, 8. 294. ISSN 2399-3669 doi: 10.1038/s42004-025-01704-x

Poole, S., O'Gorman, B., Cardin, C. J. ORCID: https://orcid.org/0000-0002-2556-9995 and Kellett, A. (2025) Recent progress in probing small molecule interactions with DNA. Biophysical Reviews. ISSN 1867-2450 doi: 10.1007/s12551-025-01373-z (In Press)

Powell, A. V., Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262, Tippireddy, S. and Prado-Gonjal, J. (2025) Exploiting chemical bonding principles to design high performance thermoelectric materials. Nature Reviews Chemistry, 9. pp. 241-260. ISSN 2397-3358 doi: 10.1038/s41570-025-00695-6

R

Rosa, E., Pizzella, M., Cimmino, L., Castelletto, V., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Vitagliano, L., De Simone, A. and Accardo, A. (2025) Stimuli-responsive hydrogels from liquid–liquid phase separations of FUS-derived peptides. ACS Applied Materials and Interfaces, 17 (40). pp. 55981-55993. ISSN 1944-8244 doi: 10.1021/acsami.5c15249

S

Seymour, J. M., Gousseva, E., Parker, L. G., Towers Tompkins, F. K., Fogarty, R. M., Frankemoelle, L., Rowe, R., Clarke, C. J., Duncan, D. A., Palgrave, R. G., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Hunt, P. A. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2025) d10s2 post-transition metal anions: identifying and analyzing their dual-mode Lewis basicity. Journal of Physical Chemistry Letters, 6 (11). pp. 2831-2836. ISSN 1948-7185 doi: 10.1021/acs.jpclett.4c03649

Skelson, D. J. (2025) Combining spectroelectrochemistry and theory in photo-assisted electrocatalytic carbon dioxide reduction by Group-6 and -7 metal carbonyl complexes. PhD thesis, University of Reading. doi: 10.48683/1926.00123591

Stitch, M., Pižl, M., Lehane, N., Greetham, G. M., Hartl, F. ORCID: https://orcid.org/0000-0002-7013-5360, Towrie, M. and Quinn, S. J. (2025) Eyes on the prize: tracking electron transfer in G‑rich duplex and quadruplex DNA using enantiopure ruthenium polypyridyl infrared redox probes. Journal of the American Chemical Society, 147 (33). pp. 29801-29814. ISSN 0002-7863 doi: 10.1021/jacs.5c05736

T

Tareq, A. Z., Hyder, M., Harries, J. L. ORCID: https://orcid.org/0000-0003-0047-2991 and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2025) Thermally and base-triggered ‘debond-on-demand’ crosslinked polyurethane adhesives. Faraday Discussions. ISSN 1359-6640 doi: 10.1039/D5FD00051C

Tareq, A. Z., Hyder, M., Hermida Merino, D., Mohan, S. D., Cooper, J. A. ORCID: https://orcid.org/0000-0002-3981-9246 and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2025) Design and synthesis of aliphatic supramolecular polymers featuring amide, urethane, and urea hydrogen bonding units. European Polymer Journal, 228. 113782. ISSN 1873-1945 doi: 10.1016/j.eurpolymj.2025.113782

Towers Tompkins, F. K., Gousseva, E., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2025) Core-level binding energies describe electrostatic potentials at nuclei for ionic liquids. Physical Chemistry Chemical Physics, 27 (41). pp. 22004-22012. ISSN 1463-9076 doi: 10.1039/d5cp02411k

Towers Tompkins, F. K., Parker, L. G., Fogarty, R. M., Seymour, J. M., Rowe, R., Palgrave, R. G., Matthews, R. P., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Hunt, P. A. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2025) Efficient prediction of the local electronic structure of ionic liquids from low-cost calculations. Physical Chemistry Chemical Physics, 27 (17). pp. 8803-8812. ISSN 1463-9076 doi: 10.1039/D5CP00892A

V

Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262, Herlihy, A., Elgaml, M., Mukherjee, S., Keen, D. A., Voneshen, D. J. and Powell, A. V. (2025) Unravelling the influence of the local structure on the ultralow thermal conductivity of the bismuthinite-aikinite series, Cu1–x□xPb1–xBi1+xS3. Journal of the American Chemical Society, 147 (41). pp. 37598-37610. ISSN 0002-7863 doi: 10.1021/jacs.5c12526

Y

Yadav, C. L. ORCID: https://orcid.org/0000-0003-1535-5018, Anamika ORCID: https://orcid.org/0000-0001-8070-710X, Singh, R., Kumar, A. ORCID: https://orcid.org/0000-0001-5541-6191, Singh, R. K. ORCID: https://orcid.org/0000-0003-0977-1461, Drew, M. G. B. ORCID: https://orcid.org/0000-0001-8687-3440, Manar, K. K. ORCID: https://orcid.org/0000-0002-5668-9367 and Singh, N. ORCID: https://orcid.org/0000-0003-1578-5456 (2025) Anti-leishmanial study of discrete tetrahedral zinc(ii) β-oxodithioester complexes. New Journal of Chemistry, 49 (2). pp. 484-496. ISSN 1369-9261 doi: 10.1039/d4nj04275a

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