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Items where Division is "Department of Chemistry" and Year is 2024

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Number of items: 62.

A

Adair, L. R., Jones, I. ORCID: https://orcid.org/0000-0002-7738-2516 and Cramer, R. ORCID: https://orcid.org/0000-0002-8037-2511 (2024) Utilising precursor ion connectivity of different charge states to improve peptide and protein identification in MS/MS analysis. Analytical Chemistry, 96 (3). pp. 985-990. ISSN 0003-2700 doi: 10.1021/acs.analchem.3c03061

Adak, A., Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162, Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Seitsonen, J., Jana, A., Ghosh, S., Mukherjee, N. and Ghosh, S. ORCID: https://orcid.org/0000-0002-8203-8613 (2024) Self-assembly and wound healing activity of biomimetic cycloalkane-based lipopeptides. ACS Applied Materials & Interfaces, 16 (24). pp. 58417-58426. ISSN 1944-8252 doi: 10.1021/acsami.4c14162

Adak, A., Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162, 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 (2024) Chirality and pH influence the self-assembly of antimicrobial Lipopeptides with diverse nanostructures. ACS Applied Bio Materials, 7 (8). pp. 5553-5565. ISSN 2576-6422 doi: 10.1021/acsabm.4c00664

Adak, A., Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162, de Sousa, A., Karatzas, K.-A., Wilkinson, C., Khunti, N., Seitsonen, J. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2024) Self-assembly and antimicrobial activity of lipopeptides containing lysine-rich tripeptides. Biomacromolecules, 25 (2). pp. 533-1352. ISSN 1525-7797 doi: 10.1021/acs.biomac.3c01184

Alshammari, A. A. A., Boyd, J. W., Greaves, N., Kettle, J. G., McKendrick, J. E. ORCID: https://orcid.org/0000-0003-2275-0569, Parker, L. G., Russell, A. T., Sani, A. and Smith, C. D. ORCID: https://orcid.org/0000-0002-5911-5836 (2024) Effect of tether length on endo/exo stereoselectivity in alkene–arene meta‐photocycloaddition reactions towards the Aphidocolin/Stemodin scaffolds. European Journal of Organic Chemistry, 27 (30). e202400463. ISSN 1099-0690 doi: 10.1002/ejoc.202400463

Antunes, L. M. (2024) Discovering thermoelectric materials with modern machine learning approaches. PhD thesis, University of Reading. doi: 10.48683/1926.00123851

Antunes, L. M., Butler, K. T. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2024) Crystal structure generation with autoregressive large language modeling. Nature Communications, 15. 10570. ISSN 2041-1723 doi: 10.1038/s41467-024-54639-7

B

Badia-Dominguez, I., Wang, D., Nash, R., Hernandez Jolin, V., Collison, D., Shanmugan, M., Li, H., Hartl, F. ORCID: https://orcid.org/0000-0002-7013-5360 and Ruiz Delgado, M. C. (2024) Tuneable stimuli-responsive behaviour, spectroscopic signatures and redox properties of indolo[3,2-b]carbazole-based diradicals. Physical Chemistry Chemical Physics, 41. pp. 26141-26630. ISSN 1463-9076 doi: 10.1039/D4CP02729A

Basham, V., Hancock, T., Mckendrick, J. ORCID: https://orcid.org/0000-0003-2275-0569, Tessarolo, N. and Wicking, C. (2024) Chemical analysis of additives included in fully formulated oils using high-performance liquid chromatography–tandem mass spectrometry. Rapid Communications in Mass Spectrometry, 38 (5). e9682. ISSN 1097-0231 doi: 10.1002/rcm.9682

C

Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2024) Role of exact exchange and empirical dispersion in density functional theory-based three-body noncovalent interactions. Journal of Physical Chemistry A, 128 (40). pp. 8777-8786. ISSN 1520-5215 doi: 10.1021/acs.jpca.4c03262

Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2024) Transformer-decoder GPT models for generating virtual screening libraries of HMG-Coenzyme A reductase inhibitors: effects of temperature, prompt-length and transfer-learning strategies. Journal of Chemical Information and Modeling, 64 (22). pp. 8464-8480. ISSN 1549-960X doi: 10.1021/acs.jcim.4c01309

Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2024) The role of exact exchange and empirical dispersion in Density Functional Theory-based three-body non-covalent interactions. Journal of Physical Chemistry A, 128 (40). pp. 8777-8786. ISSN 1520-5215 doi: 10.1021/acs.jpca.4c03262

Caliari, A. B., Bicev, R. N., da Silva, C. C., de Souza, S. E. G., da Silva, M. G., Souza, L. E. A., de Mello, R. ORCID: https://orcid.org/0000-0001-7630-5087, Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Motta, G., Degrouard, J., Tresset, G., Quaresma, A. J. C., Nakaie, C. R. ORCID: https://orcid.org/0000-0001-7057-1990 and da Silva, E. R. ORCID: https://orcid.org/0000-0001-5876-2276 (2024) Self-assembly, cytocompatibility, and interactions of desmopressin with sodium polystyrene sulfonate. Soft Matter, 20 (48). pp. 9597-9613. ISSN 1744-6848 doi: 10.1039/d4sm01125b

Carrillo-Berdugo, I., Navas, J. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2024) Probing the thermal resistance of solid-liquid interfaces in nanofluids with molecular dynamics. The Journal of Chemical Physics, 160 (1). 014706. ISSN 1089-7690 doi: 10.1063/5.0177616

Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162, Seitsonen, J., Pollitt, A. ORCID: https://orcid.org/0000-0001-8706-5154 and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2024) Minimal peptide sequences that undergo liquid–liquid phase separation via self-coacervation or complex coacervation with ATP. Biomacromolecules, 25 (8). pp. 5321-5331. ISSN 1526-4602 doi: 10.1021/acs.biomac.4c00738

Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162, Seitsonen, J., de Mello, L. R. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2024) Interaction of arginine-rich surfactant-like peptide nanotubes with liposomes. Biomacromolecules, 25 (11). pp. 7410-7420. ISSN 1525-7797 doi: 10.1021/acs.biomac.4c01072

Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162, de Mello, L. R., ORCID: https://orcid.org/0000-0001-7630-5087, Seitsonen, J. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2024) Micellization of lipopeptides containing toll-like receptor agonist and integrin binding sequences. ACS Applied Materials and Interfaces, 16 (50). pp. 68713-68723. ISSN 1944-8252 doi: 10.1021/acsami.4c18165

Castelletto, V., de Mello, L., da Silva, E. R. ORCID: https://orcid.org/0000-0001-5876-2276, Seitsonen, J. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2024) Comparison of the self‐assembly and cytocompatibility of conjugates of Fmoc (9‐fluorenylmethoxycarbonyl) with hydrophobic, aromatic, or charged amino acids. Journal of Peptide Science, 30 (6). e3571. ISSN 1099-1387 doi: 10.1002/psc.3571

Challen, B. ORCID: https://orcid.org/0000-0001-7970-3697, Adair, L. R. and Cramer, R. ORCID: https://orcid.org/0000-0002-8037-2511 (2024) Liquid atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometry using a commercial ion source and orbitrap mass analyzer. Analytical Chemistry, 96 (40). pp. 15865-15870. ISSN 1520-6882 doi: 10.1021/acs.analchem.4c04458

Clarke, C. J., Clayton, T., Palmer, M. J., Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X and Licence, P. (2024) A thermophysical investigation of weakly coordinated metals in ionic liquids. Chemical Science, 15. pp. 13832-13840. ISSN 2041-6539 doi: 10.1039/d4sc03588g

Colquhoun, H. M. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2024) Numerical representations of AB-type copolymer complexes: analysis of 1H NMR chemical shift patterns in terms of a Smith-Cantor set. Journal of Mathematical Chemistry, 62 (7). pp. 1537-1557. ISSN 1572-8897 doi: 10.1007/s10910-024-01614-8

D

de Mello, L. R. ORCID: https://orcid.org/0000-0001-7630-5087, Honda, T. S. B., Han, S. W., Castelletto, V., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Porosk, L. ORCID: https://orcid.org/0000-0002-4664-4560, Langel, Ü. and da Silva, E. R. ORCID: https://orcid.org/0000-0001-5876-2276 (2024) Structure–activity relationships of DNA nanocarriers based on the amphipathic cell penetrating peptide transportan 10. RSC Pharmaceutics, 1 (5). pp. 976-993. ISSN 2976-8713 doi: 10.1039/D4PM00065J

F

Ferreira, P. S., Gerbelli, B. B. ORCID: https://orcid.org/0000-0001-9300-8463, Castro-Kochi, A. C. H., Cortez, B., Castro, F. L., Cantero, J., Iribarne, F., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Alves, W. A. ORCID: https://orcid.org/0000-0002-8394-2751 (2024) Exploring the use of a lipopeptide in Dipalmitoylphosphatidylcholine monolayers for enhanced detection of Glyphosate in aqueous environments. Langmuir, 40 (26). pp. 13583-13595. ISSN 1520-5827 doi: 10.1021/acs.langmuir.4c01089

Fu, M., Moiseev, R. V. ORCID: https://orcid.org/0000-0002-4358-9981, Hyder, M., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991, Amadesi, S., Williams, A. C. ORCID: https://orcid.org/0000-0003-3654-7916 and Khutoryanskiy, V. V. ORCID: https://orcid.org/0000-0002-7221-2630 (2024) Exploring mucoadhesive and toxicological characteristics following modification of linear polyethylenimine with various anhydrides. Biomacromolecules, 25 (8). pp. 4831-4842. ISSN 1526-4602 doi: 10.1021/acs.biomac.4c00220

G

Gishan, M., Middya, P., Drew, M. G. B., Frontera, A. ORCID: https://orcid.org/0000-0001-7840-2139 and Chattopadhyay, S. ORCID: https://orcid.org/0000-0001-7772-9009 (2024) Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions. RSC Advances, 14 (42). pp. 30896-30911. ISSN 2046-2069 doi: 10.1039/d4ra06217e

Gousseva, E., Towers Tompkins, F. K., Seymour, J. M., Parker, L. G. ORCID: https://orcid.org/0000-0001-8727-4116, Clarke, C. J. ORCID: https://orcid.org/0000-0003-2698-3490, Palgrave, R. G. ORCID: https://orcid.org/0000-0003-4522-2486, 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 (2024) Anion-dependent strength scale of interactions in ionic liquids from x-ray photoelectron spectroscopy, ab initio molecular dynamics, and density functional theory. The Journal of Physical Chemistry B, 128 (20). pp. 5030-5043. ISSN 1520-6106 doi: 10.1021/acs.jpcb.4c00362

H

Hall, C. A., Ferrer, P., Grinter, D. C., Kumar, S., da Silva, I., Rubio-Zuazo, J., Bencok, P., de Groot, F., Held, G. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2024) Spinel ferrites MFe2O4 (M = Co, Cu, Zn) for photocatalysis: theoretical and experimental insights. Journal of Materials Chemistry A, 12 (43). pp. 29645-29656. ISSN 0959-9428 doi: 10.1039/D4TA04941A

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162 (2024) Cyclodextrin-induced suppression of the crystallization of low-molar-mass poly(ethylene glycol). ACS Polymers Au, 4 (4). pp. 266-272. ISSN 2694-2453 doi: 10.1021/acspolymersau.4c00024

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Castelletto, V. (2024) Sodium dodecyl sulfate micelles: accurate analysis of small-angle x-ray scattering data through form factor and atomistic molecular dynamics modelling. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 696. 134394. ISSN 1873-4359 doi: 10.1016/j.colsurfa.2024.134394

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Adak, A. and Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162 (2024) Influence of chirality and sequence in lysine-rich lipopeptide biosurfactants and micellar model colloid systems. Nature Communications, 15. 6785. ISSN 2041-1723 doi: 10.1038/s41467-024-51234-8

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Castelletto, V., Hermida-Merino, D. and Rosenthal, M. (2024) Cyclodextrin‐induced suppression of PEG crystallization from the melt in a PEG‐peptide conjugate. ChemBioChem, 25 (19). e202400396. ISSN 1439-7633 doi: 10.1002/cbic.202400396

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Simmons, P. ORCID: https://orcid.org/0009-0009-9558-4750 (2024) A patent test : subtitle in English. Journal of Institute of Testing.

Hayler, H. J. ORCID: https://orcid.org/0000-0002-0626-1522, Hallett, J. E. ORCID: https://orcid.org/0000-0002-9747-9980 and Perkin, S. ORCID: https://orcid.org/0000-0002-5875-5217 (2024) Hydrogen bond donors dictate the frictional response in deep eutectic solvents. Langmuir, 40 (11). pp. 5695-5700. ISSN 1520-5827 doi: 10.1021/acs.langmuir.3c03303

I

Ibraheem, M. A., Davis, F. J. ORCID: https://orcid.org/0000-0003-0462-872X, Mohan, S. D. and McKendrick, J. E. ORCID: https://orcid.org/0000-0003-2275-0569 (2024) Composite nanofibres of CuI-polystyrene via electrospinning through critical control of solvation conditions. Journal of Applied Polymer Science, 142 (1). e56322. ISSN 1097-4628 doi: 10.1002/app.56322

K

Krenkel, H. (2024) Advancing liquid MALDI ion source designs and applications in modern biological mass spectrometry. PhD thesis, University of Reading. doi: 10.48683/1926.00118319

L

Lamba, N. ORCID: https://orcid.org/0000-0003-1337-9083, Guralnik, B. ORCID: https://orcid.org/0000-0003-3095-3868, Prado-Gonjal, J., Powell, A. V. ORCID: https://orcid.org/0000-0002-9650-1568, Pryds, N. ORCID: https://orcid.org/0000-0002-5718-7924, Hansen, O. ORCID: https://orcid.org/0000-0002-6090-8323, Petersen, D. H. ORCID: https://orcid.org/0000-0002-9309-4186 and Beltrán-Pitarch, B. ORCID: https://orcid.org/0000-0002-4596-9582 (2024) Eliminating resistance measurement error due to thermoelectric effects in micro four-point probe measurements. Journal of Applied Physics, 136 (24). 244501. ISSN 1089-7550 doi: 10.1063/5.0244261

Lowe, M. ORCID: https://orcid.org/0009-0006-0290-3627, Al-Mahboob, A., Ivarsson, D., Armbrüster, M., Ardini, J. ORCID: https://orcid.org/0009-0008-6458-673X, Held, G. ORCID: https://orcid.org/0000-0003-0726-4183, Maccherozzi, F. ORCID: https://orcid.org/0000-0003-4074-2319, Bayer, A. ORCID: https://orcid.org/0000-0002-7353-3532, Fournée, V. ORCID: https://orcid.org/0000-0001-5144-5075, Ledieu, J. ORCID: https://orcid.org/0000-0002-9896-0426, Sadowski, J. T., McGrath, R. ORCID: https://orcid.org/0000-0002-9880-5741 and Sharma, H. R. ORCID: https://orcid.org/0000-0003-0456-6258 (2024) Atomic structure of different surface terminations of polycrystalline ZnPd. Physical Review Materials, 8 (10). 105801. ISSN 2475-9953 doi: 10.1103/physrevmaterials.8.105801

M

Mondal, T., Patra, S. ORCID: https://orcid.org/0000-0003-4572-614X, Mondal, B., Ghosh, P. ORCID: https://orcid.org/0000-0002-2827-3313, Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Banerjee, A. ORCID: https://orcid.org/0000-0002-1309-921X (2024) Silver-containing metallo hydrogel as a nanocatalyst for hydrogen evolution. ACS Applied Polymer Materials, 6 (18). pp. 11383-11391. ISSN 2637-6105 doi: 10.1021/acsapm.4c01965

N

Nunes, C. D., Taylor, J. O., Hartl, F. ORCID: https://orcid.org/0000-0002-7013-5360 and Calhorda, M. J. (2024) Sustainable redox catalysts with Molybdenum complexes and nanoparticles. In: Pombeiro, A. J. L., Mahmudov, K. T. and Guedes da Silva, M. d. F. C. (eds.) Metal Coordination and Nanomaterials. Synthesis and Applications in Chemistry and Materials (11). World Scientific, pp. 395-465. ISBN 9789811279935 doi: 10.1142/9789811283208_0012

O

O'Donnell, A., Hyder, M., Chippindale, A. ORCID: https://orcid.org/0000-0002-5918-8701, Harries, J. L., German, I. M. ORCID: https://orcid.org/0000-0003-0047-2991 and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2024) Healable supramolecular polyurethane elastomers possessing pendant bis-aromatic urea recognition units for use in repairable coatings. ACS Applied Polymer Materials, 6 (24). pp. 15242-15252. ISSN 2637-6105 doi: 10.1021/acsapm.4c03135

Ormerod, N., Powell, A. V., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Gover, R. K.B. and Cox, C. J. (2024) Ultralow thermal conductivity in defect pyrochlores: balancing mass fluctuation scattering and rattling modes. Journal of Materials Chemistry A, 12 (34). pp. 22668-22678. ISSN 2050-7496 doi: 10.1039/D3TA06618E

P

Piras, C., De Fazio, R., Di Francesco, A., Oppedisano, F., Spina, A. A., Cunsolo, V., Roncada, P., Cramer, R. ORCID: https://orcid.org/0000-0002-8037-2511 and Britti, D. (2024) Detection of antimicrobial proteins/peptides and bacterial proteins involved in antimicrobial resistance in raw cow’s milk from different breeds. Antibiotics, 13 (9). 838. ISSN 2079-6382 doi: 10.3390/antibiotics13090838

Posligua, V. ORCID: https://orcid.org/0000-0003-3375-3706, Plata, J. J. ORCID: https://orcid.org/0000-0002-0859-0450, Márquez, A. M. ORCID: https://orcid.org/0000-0001-6699-064X, Sanz, J. F. ORCID: https://orcid.org/0000-0003-2064-7007 and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2024) Theoretical investigation of the lattice thermal conductivities of II–IV–V₂ pnictide semiconductors. ACS Applied Electronic Materials, 6 (5). pp. 2951-2959. ISSN 2637-6113 doi: 10.1021/acsaelm.3c01242

Prieto Otoya, T. D., McQuaid, K. ORCID: https://orcid.org/0000-0002-3222-5584 and Cardin, C. ORCID: https://orcid.org/0000-0002-2556-9995 (2024) Structural Insights into G-quadruplex binding by metal complexes: implications for drug design. Medicinal Chemistry Research, 33. pp. 2001-2019. ISSN 1554-8120 doi: 10.1007/s00044-024-03309-w

Prieto Otoya, T. D., McQuaid, K. T. ORCID: https://orcid.org/0000-0002-3222-5584, Hennessy, J., Menounou, G., Gibney, A., Paterson, N., Cardin, D. J., Kellett, A. and Cardin, C. J. ORCID: https://orcid.org/0000-0002-2556-9995 (2024) Probing a major DNA weakness: resolving the groove and sequence selectivity of the diimine complex Λ‐[Ru(phen)2phi]2+. Angewandte Chemie International Edition, 63 (13). e202318863. ISSN 1521-3773 doi: 10.1002/anie.202318863

Prieto, T. D., McQuaid, K. T. ORCID: https://orcid.org/0000-0002-3222-5584, Paterson, N. G., Cardin, D. J., Kellett, A. and Cardin, C. J. ORCID: https://orcid.org/0000-0002-2556-9995 (2024) Re-pairing DNA: binding of a ruthenium phi complex to a double mismatch. Chemical Science, 15 (24). pp. 9096-9103. ISSN 2041-6539 doi: 10.1039/D4SC01448K

R

Reeves, S. J., Patel, D. ORCID: https://orcid.org/0000-0001-5147-3391, Harris, P. J. F. ORCID: https://orcid.org/0000-0003-1598-9686, Mitchell, G. R. ORCID: https://orcid.org/0000-0001-7977-7610 and Davis, F. J. ORCID: https://orcid.org/0000-0003-0462-872X (2024) Enhancing the properties of liquid crystal polymers and elastomers with nano magnetic particles. Materials, 17 (21). 5273. ISSN 1996-1944 doi: 10.3390/ma17215273

Rosa, E., Pellegrino, P. ORCID: https://orcid.org/0000-0001-6018-3548, Cascione, M., Rinaldi, R. ORCID: https://orcid.org/0000-0003-2798-9341, Gianolio, E. ORCID: https://orcid.org/0000-0002-7130-4445, Edwards-Gayle, C. ORCID: https://orcid.org/0000-0001-7757-107X, Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Morelli, G., Accardo, A. and Diaferia, C. (2024) Cross-link of telechelic diacrylate polyethylene-glycol in peptide-based Fmoc-FF hydrogel matrices. ACS Applied Polymer Materials, 6 (12). pp. 7197-7208. ISSN 2637-6105 doi: 10.1021/acsapm.4c01059

S

SUTTON, T. ORCID: https://orcid.org/0000-0002-8390-7577, Simmons, P. ORCID: https://orcid.org/0009-0009-9558-4750, Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Bardsley, N. (2024) Testing adding multiple UoR authors to an article. Journal of Institute of Testing.

Salimi, S., Graham, A. M., Wu, Y., Song, P., Hart, L. R., Irvine, D. J., Wildman, R. D., Siviour, C. R. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2024) An effective route to the additive manufacturing of a mechanically gradient supramolecular polymer nanocomposite structure. Journal of the Mechanical Behavior of Biomedical Materials, 150. 106358. ISSN 1878-0180 doi: 10.1016/j.jmbbm.2023.106358

Schulze, C. A. E. and Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2024) Pairwise additivity and three-body contributions for Density Functional Theory-based protein-ligand interaction energies. Journal of Physical Chemistry B, 128 (10). pp. 2326-2336. ISSN 1520-5207 doi: 10.1021/acs.jpcb.3c07456

Seymour, J. M., Gousseva, E., Towers Tompkins, F., Parker, L. G., Alblewi, N. O., Clarke, C. J., Hayama, S., Palgrave, R. G., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Matthews, R. P. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2024) Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations. Faraday Discussions, 253. pp. 251-272. ISSN 1359-6640 doi: 10.1039/D4FD00029C

Shatabayeva, E. ORCID: https://orcid.org/0000-0001-9153-5198, Kaldybekov, D. B. ORCID: https://orcid.org/0000-0002-7191-5465, Ulmanova, L., Zhaisanbayeva, B. A., Mun, E. A., Kenessova, Z. A. ORCID: https://orcid.org/0000-0003-2768-824X, Kudaibergenov, S. E. and Khutoryanskiy, V. V. ORCID: https://orcid.org/0000-0002-7221-2630 (2024) Enhancing mucoadhesive properties of gelatin through chemical modification with unsaturated anhydrides. Biomacromolecules, 25 (3). pp. 1612-1628. ISSN 1526-4602 doi: 10.1021/acs.biomac.3c01183

Shi, Z., Hyder, M., Tareq, A. Z., Chippindale, A. M. ORCID: https://orcid.org/0000-0002-5918-8701, Cooper, J. A. ORCID: https://orcid.org/0000-0002-3981-9246, Harries, J. L. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2024) Adhesive and healable supramolecular comb-polymers. Reactive and Functional Polymers, 202. 105994. ISSN 1873-166X doi: 10.1016/j.reactfunctpolym.2024.105994

Slim, M. A., van Mourik, N., Bakkerus, L., Fuller, K., Acharya, L., Giannidis, T., Dionne, J. C., Oczkowski, S. J. W., Netea, M. G., Pickkers, P., Giamarellos-Bourboulis, E. J., Müller, M. C. A., van der Poll, T., Joost Wiersinga, W., Kullberg, B.-J., Nooijer, A., Veerdonk, F., Oever, J., Hoogerwerf, J., Hulscher, M., Netea, M., Oerlemans, A., Ziogas, A., Swillens, J., Berg, L., Bos, N., Kox, M., Estratiou, L., Giamarellos-Bourboulis, E., Kotsaki, A., Nikolaos, A., Spyros, G., Calandra, T., Meylan, S., Snaka, T., Roger, T., Bauer, M., Brunkhorst, F., Bloos, F., Weis, S., Hartman, W., Slim, M., Vught, L., Vlaar, A., Muller, M., Wiersinga, J., Lupse, M., Santamarean, G., Rimmele, T., Conti, F., Monneret, G., Aschenbrenner, A., Schultze, J., Uelft, M., Bock, C., Horst, R., Gat-Viks, I., Ron, E., Yunkovitz, G., Abbott, S., Peronnet, E., Balezeaux, M., Saliou, A., Hart, J. ORCID: https://orcid.org/0000-0002-3382-6824, Vlaar, A. P.J. and van Vught, L. A. (2024) Towards personalized medicine: a scoping review of immunotherapy in sepsis. Critical Care, 28. 183. ISSN 1364-8535 doi: 10.1186/s13054-024-04964-6

Sumner, E., Pižl, M., McQuaid, K. T. ORCID: https://orcid.org/0000-0002-3222-5584 and Hartl, F. ORCID: https://orcid.org/0000-0002-7013-5360 (2024) Nitrile substituents at the conjugated dipyridophenazine moiety as infra-red redox markers in electrochemically reduced heteroleptic Ru(II) polypyridyl complexes. Inorganic Chemistry, 63 (5). pp. 2460-2469. ISSN 0020-1669 doi: 10.1021/acs.inorgchem.3c03484

T

Tareq, A. Z., Hyder, M., Hermida Merino, D., Chippindale, A. M. ORCID: https://orcid.org/0000-0002-5918-8701, Kaur, A., Cooper, J. A. ORCID: https://orcid.org/0000-0002-3981-9246 and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2024) Thermally and mechanically robust self-healing supramolecular polyurethanes featuring aliphatic amide end caps. Polymer, 302. 127052. ISSN 1873-2291 doi: 10.1016/j.polymer.2024.127052

Tian, Y. ORCID: https://orcid.org/0000-0001-5750-5817, Zhang, R., Cui, J., Zhu, Y., Sun, M., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Xiao, C. ORCID: https://orcid.org/0000-0001-7936-4146 and Chen, L. ORCID: https://orcid.org/0000-0001-7922-0599 (2024) An injectable antibacterial hydrogel with bacterial-targeting properties for subcutaneous suppuration treatment. Chemical Engineering Journal, 488. 151137. ISSN 1873-3212 doi: 10.1016/j.cej.2024.151137

Touhami, D., Mofikoya, A. O., Girling, R. D. ORCID: https://orcid.org/0000-0001-8816-8075, Langford, B., Misztal, P. K. and Pfrang, C. (2024) Atmospheric degradation of ecologically important biogenic volatiles: investigating the ozonolysis of (E)-β-ocimene, isomers of α and β-farnesene, α-terpinene and 6-methyl-5-hepten-2-one, and their gas-phase products. Journal of Chemical Ecology, 50. pp. 129-142. ISSN 1573-1561 doi: 10.1007/s10886-023-01467-6

Towers Tompkins, F. K., Parker, L. G., Fogarty, R. M., Seymour, J. M., Gousseva, E., Grinter, D. C., Palgrave, R. G., Smith, C. D. ORCID: https://orcid.org/0000-0002-5911-5836, Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Matthews, R. P. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2024) Controlling and predicting alkyl-onium electronic structure. Chemical Communications, 60 (77). pp. 10756-10759. ISSN 1364-548X doi: 10.1039/D4CC03388D

V

Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262, ed. (2024) Advanced thermoelectric materials and devices. ACS Applied Electronic Materials. American Chemical Society. doi: 10.1021/acsaelm.4c00811 (In Press) ((Special Issue))

Y

Yang, X. F., Zhang, M.-X., Liu, S. H. and Hartl, F. ORCID: https://orcid.org/0000-0002-7013-5360 (2024) Metallaaromatic complexes as candidates for future molecular materials and electronic devices: recent advancements. Chemistry - An Asian Journal, 19 (2). e202300860. ISSN 1861-471X doi: 10.1002/asia.202300860

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