Aljuaid, N., Tully, M., Seitsonen, J., Ruokolainen, J. and Hamley, I. ORCID: https://orcid.org/0000-0002-4549-0926 (2021) Benzene tricarboxamide derivatives with lipid and ethylene glycol chains self-assemble into distinct nanostructures driven by molecular packing. Chemical Communications, 57 (67). pp. 8360-8363. ISSN 1359-7345 doi: https://doi.org/10.1039/D1CC03437E

Aricò, F. and Colquhoun, H. M. (2021) Catechol-based macrocyclic aromatic ether-sulfones: Synthesis, characterization and ring-opening polymerization. ARKIVOC, 2021 (6). pp. 13-25. ISSN 1551-7004 doi: https://doi.org/10.24820/ark.5550190.p011.424

Babra, J. S. (2021) Identification, characterisation and quantification of degradation adducts of CyMe4-BTBP. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00106725

Babra, T., Warriner, C., Bazin, N., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 and Greenland, B. (2021) A fluoride degradable crosslinker for debond-on-demand polyurethane based crosslinked adhesives. Materials Today Communications, 26. 101777. ISSN 2352-4928 doi: https://doi.org/10.1016/j.mtcomm.2020.101777

Badia-Dominguez, I., Pena-Alvarez, M., Wang, D., Peres Guardiola, A., Vida, Y., Rodriguez Gonzalez, S., Lopez Navarette, J. T., Hernadez Jolin, V., Sancho Garcia, J. C., Garcia Baonza, V., Nash, R., Hartl, F., Li, H. and Ruiz Delgado, M. C. (2021) Dynamic covalent properties of a novel indolo[3,2-b]carbazole diradical. Chemistry- A European Journal, 27 (17). pp. 5509-5520. ISSN 1521-3765 doi: https://doi.org/10.1002/chem.202005211

Beamish-Cook, J., Shankland, K., Murray, C. A. and Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262 (2021) Insights into the mechanochemical synthesis of MOF-74. Crystal Growth & Design, 21 (5). pp. 3047-3055. ISSN 1528-7483 doi: https://doi.org/10.1021/acs.cgd.1c00213

Bowden, H., Almond, M. J., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991, Browne, C. and McRobbie, S. (2021) The use of diffuse reflectance infrared spectroscopy to monitor the oxidation of UV irradiated and naturally aged bitumen and asphalt. Road Materials and Pavement Design, 22 (6). pp. 1254-1267. ISSN 1468-0629 doi: https://doi.org/10.1080/14680629.2019.1684982

Burger, S., Grover, S., Butler, K. T., Bostrom, H. L. B., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Kieslich, G. (2021) Tilt and shift polymorphism in molecular perovskites. Materials Horizons, 2021 (9). pp. 2444-2450. ISSN 2051-6355 doi: https://doi.org/10.1039/D1MH00578B

Burholt, S. (2021) Self-assembling behaviour of the peptide hormone PYY3-36 and its lipidated conjugates for future applications in controlling satiety levels. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00101559

Cai, Y., Chippindale, A. M., Curry, R. J. and Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262 (2021) Multiple roles of 1,4-diazabicyclo[2.2.2]octane in the solvothermal synthesis of iodobismuthates. Inorganic Chemistry, 60 (7). pp. 5333-5342. ISSN 0020-1669 doi: https://doi.org/10.1021/acs.inorgchem.1c00318

Carrillo-Berdugo, I., Estelle, P., Sani, E., Mercatelli, L., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Zorrilla, D. and Navas, J. (2021) Optical and transport properties of metal-oil nanofluids for thermal solar industry: experimental characterization, performance assessment and molecular dynamics insights. ACS Sustainable Chemistry & Engineering, 9 (11). pp. 4194-4205. ISSN 2168-0485 doi: https://doi.org/10.1021/acssuschemeng.1c00053

Carrillo-Berdugo, I., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Zorrilla, D. and Navas, J. (2021) Interfacial molecular layering enhances specific heat of nanofluids: evidence from molecular dynamics. Journal of Molecular Liquids, 325. 115217. ISSN 0167-7322 doi: https://doi.org/10.1016/j.molliq.2020.115217

Castelletto, V., Seitsonen, J., Ruokolainen, J. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2021) Alpha helical surfactant-like peptides self-assemble into pH-dependent nanostructures. Soft Matter, 11. pp. 3096-3104. ISSN 1744-6848 doi: https://doi.org/10.1039/D0SM02095H

Castelletto, V. ORCID: https://orcid.org/0000-0002-3705-0162, Seitsonen, J., Ruokolainen, J., Barnett, S. A., Sandu, C. and Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2021) Self-assembly of angiotensin-converting enzyme inhibitors captopril and lisinopril and their crystal structures. Langmuir, 37 (30). pp. 9170-9178. ISSN 0743-7463 doi: https://doi.org/10.1021/acs.langmuir.1c01340

Chen, H., Hart, L. R., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 and Siviour, C. R. (2021) Mechanical characterisation and modelling of a thermoreversible superamolecular polyurethane over a wide range of rates. Polymer, 221. 123607. ISSN 0032-3861 doi: https://doi.org/10.1016/j.polymer.2021.123607

Cranwell, P. ORCID: https://orcid.org/0000-0001-7156-5576, Li, D., Page, E., Whiteside, K. ORCID: https://orcid.org/0000-0002-7335-1085 and Woodcock, A. (2021) A study into the challenges faced by transnational education students (TNE) upon integration into advanced STEM practical classes through investigation of the oral learning environment. In: Dippold, D. and Heron, M. (eds.) Meaningful Teaching Interaction at the Internationalised University Moving From Research to Impact. Routledge, London, 234. ISBN 9780367350888

Cranwell, P. ORCID: https://orcid.org/0000-0001-7156-5576, Li, D., Whiteside, K. ORCID: https://orcid.org/0000-0002-7335-1085, Woodcock, A. and Page, E. (2021) Understanding the barriers faced by TNE-students when completing advanced-level laboratory-based practical classes. International Journal of Chinese Education, 10 (3). 221258682110460. ISSN 2212-5868 doi: https://doi.org/10.1177/22125868211046033

Edwards-Gayle, C. J. C. ORCID: https://orcid.org/0000-0001-7757-107X, Khunti, N., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Inoue, K. ORCID: https://orcid.org/0000-0003-1172-6395, Cowieson, N. ORCID: https://orcid.org/0000-0002-0811-6169 and Rambo, R. (2021) Design of a multipurpose sample cell holder for the Diamond Light Source high-throughput SAXS beamline B21. Journal of Synchrotron Radiation, 28 (1). ISSN 0909-0495 doi: https://doi.org/10.1107/S1600577520013831

Gavriel, A. G., Leroux, F., Khurana, G. S., Lewis, V. G., Chippindale, A. M., Sambrook, M. R., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 and Russell, A. T. (2021) A self-immolative system for disclosure of reactive electrophilic alkylating agents: understanding the role of the reporter group. Journal of Organic Chemistry, 86 (15). pp. 10263-10279. ISSN 0022-3263 doi: https://doi.org/10.1021/acs.joc.1c00996

Godleman, J., Babra, T., Afsar, A., Kyriacou, A., Thompson, M., Harries, J., Colquhoun, H. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2021) Functionalised PEGs with photo-dimerisable, anthracenyl end-groups: new UV-curable materials for use in inkjet formulations. Progress in Organic Coatings, 151. 106105. ISSN 0300-9440 doi: https://doi.org/10.1016/j.porgcoat.2020.106105

Godleman, J., Leroux, F., Reynolds, S., Philpott, J., Cranwell, P. B. ORCID: https://orcid.org/0000-0001-7156-5576, Harries, J. L., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 and Colquhoun, H. M. (2021) Aromatic poly(fluorocarbinol)s: soluble, hydrophobic binders for inkjet formulations. Progress in Organic Coatings, 158. 106378. ISSN 0300-9440 doi: https://doi.org/10.1016/j.porgcoat.2021.106378

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2021) Biocatalysts based on peptide and peptide conjugate nanostructures. Biomacromolecules, 22 (5). pp. 1835-1855. ISSN 1525-7797 doi: https://doi.org/10.1021/acs.biomac.1c00240

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2021) Lipopeptides for vaccine development. Bioconjugate Chemistry, 32 (8). pp. 1472-1490. ISSN 1043-1802 doi: https://doi.org/10.1021/acs.bioconjchem.1c00258

Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 (2021) Small–angle scattering: theory, instrumentation, data and applications. John Wiley and Sons, Chichester, UK, pp278. ISBN 9781119768302

Hermida-Merino, D., Hart, L., Harris, P. J., Slark, A. T., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2021) The effect of chiral end groups on the assembly of supramolecular polyurethanes. Polymer Chemistry, 12 (31). pp. 4488-4500. ISSN 1759-9954 doi: https://doi.org/10.1039/D1PY00714A

Higgins, C. L., Filip, S. V., Afsar, A., Colquhoun, H. M. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2021) From food to mobility: investigating a screening assay for new automotive antioxidants using the stable radical DPPH. ChemistrySelect, 6 (34). pp. 9179-9184. ISSN 2365-6549 doi: https://doi.org/10.1002/slct.202102472

James, Z., Cai, Y. and Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262 (2021) Crystal structure of (C9H17N2)3Bi2I9. Acta Crystallographica Section E: Structure Reports Online, 77 (9). jq2007. ISSN 1600-5368 doi: https://doi.org/10.1107/S2056989021007799

Knappert, M. and Colquhoun, H. M. (2021) Sequence-modification in copoly(ester-imide)s: a catalytic/supramolecular approach to the evolution and reading of copolymer sequence-information. Polymer Journal, 53. pp. 747-751. ISSN 1349-0540 doi: https://doi.org/10.1038/s41428-021-00465-3

Large, A. I. (2021) Operando characterisation of oxide-supported bimetallic Pd-Pt nanocatalysts for methane oxidation. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00101507

Large, A. ORCID: https://orcid.org/0000-0001-8676-4172, Seymour, J. ORCID: https://orcid.org/0000-0002-1217-9541, Quevedo Garzon, W., Roy, K. ORCID: https://orcid.org/0000-0003-0802-7710, Venturini, F., Grinter, D. C. ORCID: https://orcid.org/0000-0001-6089-119X, Artiglia, L. ORCID: https://orcid.org/0000-0003-4683-6447, Brooke, E., de Gutierrez, M. B., Raj, A., Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X, Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Eralp-Erden, T. and Held, G. ORCID: https://orcid.org/0000-0003-0726-4183 (2021) Operando characterisation of alumina-supported bimetallic Pd–Pt catalysts during methane oxidation in dry and wet conditions. Journal of Physics D: Applied Physics, 54 (17). 174006. ISSN 1361-6463 doi: https://doi.org/10.1088/1361-6463/abde67

Makin, S. and Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262 (2021) A discrete ligand-free T3 supertetrahedral cluster of gallium sulfide. Molecules, 26 (17). 5415. ISSN 1420-3049 doi: https://doi.org/10.3390/molecules26175415

Malafronte, A. ORCID: https://orcid.org/0000-0002-7854-5823, Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Hermida-Merino, D. ORCID: https://orcid.org/0000-0002-8181-158X, Auriemma, F. and De Rosa, C. ORCID: https://orcid.org/0000-0002-5375-7475 (2021) Nanostructured dimethacrylate-based photopolymerizable systems by modification with diblock copolymers. Polymer, 237. 124360. ISSN 0032-3861 doi: https://doi.org/10.1016/j.polymer.2021.124360

Mangelis, P., Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262, Smith, R. I. and Powell, A. V. (2021) The onset of copper-ion mobility and the electronic transitions in kesterite, Cu2ZnGeSe4. Journal of Materials Chemistry A, 9 (48). pp. 27493-27502. ISSN 0959-9428 doi: https://doi.org/10.1039/D1TA08642A

Midgley, S. D. (2021) Trace element incorporation in stalagmite calcite as a paleo-volcanic record: a chemical perspective. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00106903

Midgley, S. D., Di Tommaso, D. ORCID: https://orcid.org/0000-0002-4485-4468, Fleitmann, D. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2021) Sulfate and molybdate incorporation at the calcite–water interface: insights from ab initio molecular dynamics. ACS Earth and Space Chemistry, 5 (8). pp. 2066-2073. ISSN 2472-3452 doi: https://doi.org/10.1021/acsearthspacechem.1c00131

Midgley, S. D., Hamad, S., Butler, K. T. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2021) Bandgap engineering in the configurational space of solid solutions via machine learning: (Mg,Zn)O case study. Journal of Physical Chemistry Letters, 12 (21). pp. 5163-5168. ISSN 1948-7185 doi: https://doi.org/10.1021/acs.jpclett.1c01031

Mohan, S. D., Davis, F. J. ORCID: https://orcid.org/0000-0003-0462-872X, Badiee, A., Hadley, P., Twitchen, C.-A., Pearson, S. and Gargan, K. (2021) Optical and thermal properties of commercial polymer film, modelling the albedo effect. Journal of Applied Polymer Science, 138 (24). 50581. ISSN 0021-8995 doi: https://doi.org/10.1002/app.50581

Monir, D. K. ORCID: https://orcid.org/0000-0001-9511-063X and Harwood, L. M. ORCID: https://orcid.org/0000-0002-8442-7380 (2021) A mild approach to synthesise enantiopure glycine-derived 5-phenylthiomorpholinone. Tetrahedron, 84. 132035. ISSN 0040-4020 doi: https://doi.org/10.1016/j.tet.2021.132035

Moss, B., Wang, Q., Butler, K. T., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Selim, S., Regoutz, A., Hisatomi, T., Godin, R., Payne, D. J., Katizas, A. G., Domen, K., Steir, L. and Durrant, J. R. (2021) Linking in-situ charge accumulation to electronic structure in doped SrTiO3 reveals design principles for hydrogen evolving photocatalysts. Nature Materials, 20. pp. 511-517. ISSN 1476-1122 doi: https://doi.org/10.1038/s41563-020-00868-2

Nisbet, A. G. A., Fabrizi, F., Vecchini, S. C., Stewart, M., Cain, M. G., Hase, T., Finkel, P., Grover, S., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Collins, S. P. (2021) Intrinsic and extrinsic nature of the giant piezoelectric effect in the initial poling of PMN-PT. Physical Review Materials, 5 (12). ISSN 2475-9953 doi: https://doi.org/10.1103/PhysRevMaterials.5.L120601

O'Donnell, A., Gavriel, A., Christie, W., Chippindale, A., German, I. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2021) Conformational control of bis-urea self-assembled supramolecular pH switchable low-molecular-weight hydrogelators. ARKIVOC, 6. pp. 222-241. ISSN 1551-7004 doi: https://doi.org/10.24820/ark.5550190.p011.581

Piras, C., Hale, O. J., Reynolds, C. K. ORCID: https://orcid.org/0000-0002-4152-1190, Jones, A. K., Taylor, N., Morris, M. and Cramer, R. ORCID: https://orcid.org/0000-0002-8037-2511 (2021) Speciation and milk adulteration analysis by rapid ambient liquid MALDI mass spectrometry profiling using machine learning. Scientific Reports, 11 (1). 3305. ISSN 2045-2322 doi: https://doi.org/10.1038/s41598-021-82846-5

Pitt, P. ORCID: https://orcid.org/0000-0003-2842-7607 and Harwood, L. M. ORCID: https://orcid.org/0000-0002-8442-7380 (2021) Kinetics of the parallel-consecutive bimolecular reaction: a solution to the inverse problem involving the Lambert-W function. Physical Chemistry Chemical Physics, 23 (42). pp. 24102-24105. ISSN 1463-9076 doi: https://doi.org/10.1039/d1cp03611d

Posligua Hernandez, V. H. (2021) Density Functional Theory Investigation of Carbon- and Porphyrin-based Nanostructures. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00099015

Posligua, V., Pandya, D., Aziz, A., Rivera, M., Crespo-Otero, R., Hamad, S. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2021) Engineering the electronic and optical properties of 2D porphyrin paddlewheel metal-organic frameworks. Journal of Physics: Energy, 3 (3). 034005. ISSN 2515-7655 doi: https://doi.org/10.1088/2515-7655/abeab4

Powell, A. (2021) High-performance sulfide thermoelectric materials. In: Funahashi, R., Chen, L., Guilmeau, E., Li, Q., Min, G. and Miyazaki, Y. (eds.) Thermoelectric Energy Conversion: Theories and Mechanisms, Materials, Devices and Applications. Woodhead Publishing, Elsevier, pp. 183-196. ISBN 9780128185353

Safarian, D., Simons, M., Evans, R. G., Peterson, L. W. and Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2021) DFT study of ligand binding in the β1 adrenergic receptor. Computational and Theoretical Chemistry, 1199. 113208. ISSN 2210271X doi: https://doi.org/10.1016/j.comptc.2021.113208

Sani, A. (2021) Studies toward the synthesis of stemodinone. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00099324

Seymour, J. M. ORCID: https://orcid.org/0000-0002-1217-9541, Gousseva, E., Large, A. I. ORCID: https://orcid.org/0000-0001-8676-4172, Clarke, C. J. ORCID: https://orcid.org/0000-0003-2698-3490, Licence, P. ORCID: https://orcid.org/0000-0003-2992-0153, Fogarty, R. M. ORCID: https://orcid.org/0000-0002-2617-4207, Duncan, D. A. ORCID: https://orcid.org/0000-0002-0827-2022, Ferrer, P. ORCID: https://orcid.org/0000-0001-9807-7679, Venturini, F., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Palgrave, R. G. ORCID: https://orcid.org/0000-0003-4522-2486 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2021) Experimental measurement and prediction of ionic liquid ionisation energies. Physical Chemistry Chemical Physics, 23 (37). pp. 20957-20973. ISSN 1463-9076 doi: https://doi.org/10.1039/D1CP02441H

Singha, P., Das, S., Kulbachinskii, V. A., Kytin, V. G., Apreleva, A.S., Voneshen, D. J., Guidi, T., Powell, A. V., Chatterjee, S., Deb, A. K., Bandyopadhyay, S. and Benerjee, A. (2021) Evidence of improvement in thermoelectric parameters of n-type Bi2Te3/graphite nanocomposite. Journal of Applied Physics, 129 (5). 055108. ISSN 0021-8979 doi: https://doi.org/10.1063/5.0030745

Tanner, A. J., Wen, B., Ontaneda, J., Zhang, Y., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Fielding, H. H., Selloni, A. and Thornton, G. (2021) Polaron-adsorbate coupling at the TiO2(110)-carboxylate interface. Journal of Physical Chemistry Letters, 12 (14). pp. 3571-3576. ISSN 1948-7185 doi: https://doi.org/10.1021/acs.jpclett.1c00678

Taylor, J. O., Culpeck, R., Chippindale, A. M., Calhorda, M. J. and Hartl, F. (2021) Effect of the 2-R-Allyl and Chloride Ligands on the Cathodic Paths of [Mo(η3-2-R-allyl)(α-diimine)(CO)2Cl] (R = H, CH3; α-diimine = 6,6′-Dimethyl-2,2′-bipyridine, Bis(p-tolylimino)acenaphthene). Organometallics, 40 (11). pp. 1598-1613. ISSN 1520-6041 doi: https://doi.org/10.1021/acs.organomet.1c00038

Taylor, J. O., Pizl, M., Kloz, M., Rebarz, M., McCuster, C. E., McCuster, J. K., Zalis, S., Hartl, F. and Vlcek, A. (2021) Optical and infrared spectroelectrochemical studies of CN-substituted bipyridyl complexes of Ruthenium(II). Inorganic Chemistry, 60 (6). pp. 3514-3523. ISSN 0020-1669 doi: https://doi.org/10.1021/acs.inorgchem.0c03579

Valipour, M., Chippindale, A. M., Kouzeli, A. and Irannejad, H. (2021) A new and facile synthesis of N-Benzyl-N’-acylureas via reaction of dibenzoylhydrazine carboxamide and benzylamines. Synthetic Communications, 51 (19). pp. 3004-3012. ISSN 0039-7911 doi: https://doi.org/10.1080/00397911.2021.1960376

Younes, M., Aggett, P., Aguilar, F., Crebelli, R., Dusemund, B., Filipič, M., Frutos, M. J., Galtier, P., Gundert-Remy, U., Kuhnle, G. G. ORCID: https://orcid.org/0000-0002-8081-8931, Lambré, C., Leblanc, J.-C., Lillegaard, I. T., Moldeus, P., Mortensen, A., Oskarsson, A., Stankovic, I., Waalkens-Berendsen, I., Woutersen, R. A., Wright, M., Di Domenico, A., Fairweather‐Tait, S., McArdle, H. J., Smeraldi, C. and Gott, D. (2021) Guidance on safety evaluation of sources of nutrients and bioavailability of nutrient from the sources (Revision 1). EFSA Journal, 19 (3). e06552. ISSN 1831-4732 doi: https://doi.org/10.2903/j.efsa.2021.6552

Zeng, Q. and Hartl, F. (2021) Low-Temperature UV-Vis-NIR and IR Spectroelectrochemical Techniques in Coordination Chemistry. In: Constable, E. C., Parkin, G. and Que, L. (eds.) Comprehensive Coordination Chemistry III. Elsevier, pp. 94-118. ISBN 9780081026892 doi: https://doi.org/10.1016/B978-0-08-102688-5.00027-1