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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

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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

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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

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Cai, Y., Chippindale, A. M. ORCID: https://orcid.org/0000-0002-5918-8701, 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

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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

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Gavriel, A. G., Leroux, F., Khurana, G. S., Lewis, V. G., 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. (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

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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

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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

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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

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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

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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

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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

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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

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O'Donnell, A., Gavriel, A., Christie, W., Chippindale, A. ORCID: https://orcid.org/0000-0002-5918-8701, 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

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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

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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

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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

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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. ORCID: https://orcid.org/0000-0002-5918-8701, Calhorda, M. J. and Hartl, F. ORCID: https://orcid.org/0000-0002-7013-5360 (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

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Valipour, M., Chippindale, A. M. ORCID: https://orcid.org/0000-0002-5918-8701, 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

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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

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Zeng, Q. and Hartl, F. ORCID: https://orcid.org/0000-0002-7013-5360 (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