2023

Antunes, Luis M., Butler, Keith T. and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2023) Predicting thermoelectric transport properties from composition with attention-based deep learning. Machine Learning: Science and Technology, 4 (1). 015037. ISSN 2632-2153 doi: https://doi.org/10.1088/2632-2153/acc4a9

Basham, Vincent (2023) Development of methodologies for the mass spectrometric analysis of fully formulated oils. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00112275

Becerra, Rosa, Cannady, J. Pat and Walsh, Robin ORCID: https://orcid.org/0000-0002-5096-6191 (2023) Time‐resolved, gas‐phase kinetic and quantum chemical studies of the reaction of germylene with hydrogen chloride. ChemPhysChem, 24 (10). e202200902. ISSN 1439-7641 doi: https://doi.org/10.1002/cphc.202200902

Bera, Susovan, Bhunia, Sudip, Gomila, Rosa M. ORCID: https://orcid.org/0000-0002-0827-8504, Drew, Michael G. B., Frontera, Antonio ORCID: https://orcid.org/0000-0001-7840-2139 and Chattopadhyay, Shouvik ORCID: https://orcid.org/0000-0001-7772-9009 (2023) Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: x-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces. RSC Advances, 13 (42). pp. 29568-29583. ISSN 2046-2069 doi: https://doi.org/10.1039/d3ra03828a

Cai, Yunhe, Chippindale, Ann M. and Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 (2023) Synthesis and characterisation of iodobismuthates containing N- substituted 1,4-diazabicyclo[2.2.2]octane. Journal of Chemical Crystallography, 53 (1). pp. 167-176. ISSN 1572-8854 doi: https://doi.org/10.1007/s10870-022-00957-x

Carnevali, Virginia, Mukherjee, Shriparna, Voneshen, David J., Maji, Krishnendu, Guilmeau, Emmanuel, Powell, Anthony V., Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 and Fornari, Marco (2023) Lone pair rotation and bond heterogeneity leading to ultralow thermal conductivity in aikinite. Journal of the American Chemical Society, 145 (16). pp. 9313-9325. ISSN 0002-7863 doi: https://doi.org/10.1021/jacs.3c02536

Castelletto, Valeria, Kowalczyk, Radoslaw M. ORCID: https://orcid.org/0000-0002-3926-6530, Seitsonen, Jani and Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2023) Tuning the solution self‐assembly of a peptide‐PEG (polyethylene glycol) conjugate with alpha‐cyclodextrin. ChemBioChem. e202300472. ISSN 1439-7633 doi: https://doi.org/10.1002/cbic.202300472

Castelletto, Valeria ORCID: https://orcid.org/0000-0002-3705-0162, Seitsonen, Jani and Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2023) Effect of glycosylation on self-assembly of lipid A lipopolysaccharides in aqueous solutions. Langmuir, 39 (24). pp. 8379-8558. ISSN 0743-7463 doi: https://doi.org/10.1021/acs.langmuir.3c00828

Castelletto, Valeria ORCID: https://orcid.org/0000-0002-3705-0162, de Mello, Lucas, da Silva, Emerson Rodrigo ORCID: https://orcid.org/0000-0001-5876-2276, Seitsonen, Jani and Hamley, Ian W ORCID: https://orcid.org/0000-0002-4549-0926 (2023) Self-assembly and cytocompatibility of amino acid conjugates containing a novel water-soluble aromatic protecting group. Biomacromolecules, 24 (11). pp. 5403-5413. ISSN 1526-4602 doi: https://doi.org/10.1021/acs.biomac.3c00860

Challen, Bob, Morris, Michael and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2023) Ultra-high-throughput and low-volume analysis of intact proteins with LAP-MALDI MS. Journal of the American Society for Mass Spectrometry, 34 (6). pp. 991-994. ISSN 1879-1123 doi: https://doi.org/10.1021/jasms.3c00068

Fotopoulos, Vasileios ORCID: https://orcid.org/0000-0001-6054-6652, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 and Shluger, Alexander L. (2023) Thermodynamic analysis of the interaction between metal vacancies and hydrogen in bulk Cu. Physical Chemistry Chemical Physics, 25 (13). pp. 9168-9175. ISSN 1463-9084 doi: https://doi.org/10.1039/d3cp00085k

Fountain, Michelle T., Delgado, Alvaro, Deakin, Greg, Davis, Fred ORCID: https://orcid.org/0000-0003-0462-872X and Hemer, Sebastian (2023) Light spectra blocking films reduce numbers of western flower thrips, Frankliniella occidentalis (Thysanoptera: Thripidae) in strawberry, Fragaria x ananassa. Agricultural and Forest Entomology, 25 (1). pp. 1-8. ISSN 1461-9563 doi: https://doi.org/10.1111/afe.12526

Garrote-Marquez, Alejandro, Lodeiro, Lucas, Suresh, Rahul, Cruz Hernandez, Norge, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 and Menendez-Proupin, Eduardo (2023) Hydrogen bonds in lead halide perovskites: insights from ab initio molecular dynamics. Journal of Physical Chemistry C, 127 (32). pp. 15901-15910. ISSN 1932-7447 doi: https://doi.org/10.1021/acs.jpcc.3c02376

Gousseva, Ekaterina (2023) Combined theoretical and experimental study of the core-level electronic structure of ionic liquids. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00112902

Grinter, David C. ORCID: https://orcid.org/0000-0001-6089-119X, Shaw, Bobbie-Jean A., Pang, Chi L. ORCID: https://orcid.org/0000-0002-5222-9734, Yim, Chi-Ming ORCID: https://orcid.org/0000-0003-3339-4571, Muryn, Christopher A., Hall, Charlotte A., Maccherozzi, Francesco, Dhesi, Sarnjeet S., Suzuki, Masahiko, Yasue, Tsuneo, Koshikawa, Takanori and Thornton, Geoff ORCID: https://orcid.org/0000-0002-1616-5606 (2023) Fabrication of isolated iron nanowires. The Journal of Physical Chemistry Letters, 14 (38). pp. 8507-8512. ISSN 1948-7185 doi: https://doi.org/10.1021/acs.jpclett.3c02362

Grover, Shivani, Burger, Stefan, Butler, Keith T., Hemmer, Karina, Vervoorts, Pia, Kieslich, Gregor and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2023) Tuning the mechanical properties of dicyanamide-based molecular perovskites. CrystEngComm, 25 (23). pp. 3439-3444. ISSN 1466-8033 doi: https://doi.org/10.1039/D3CE00009E

Hallett, James E. ORCID: https://orcid.org/0000-0002-9747-9980, Agg, Kieran J. and Perkin, Susan (2023) Zwitterions fine-tune interactions in electrolyte solutions. Proceedings of the National Academy of Sciences, 120 (8). e2215585120. ISSN 1091-6490 doi: https://doi.org/10.1073/pnas.2215585120

Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2023) Self-assembly, bioactivity, and nanomaterials applications of peptide conjugates with bulky aromatic terminal groups. ACS Applied Bio Materials. pp. 384-409. ISSN 2576-6422 doi: https://doi.org/10.1021/acsabm.2c01041

Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 and Castelletto, Valeria (2023) Small-angle scattering techniques for peptide and peptide hybrid nanostructures and peptide-based biomaterials. Advances in Colloid and Interface Science, 318. 102959. ISSN 0001-8686 doi: https://doi.org/10.1016/j.cis.2023.102959

Hansda, Biswanath, Majumder, Jhilam, Mondal, Biplab, Chatterjee, Akash, Das, Subhadeep, Kumar, Sourav, Gachhui, Ratan, Castelletto, Valeria ORCID: https://orcid.org/0000-0002-3705-0162, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926, Sen, Prosenjit ORCID: https://orcid.org/0000-0002-1233-1822 and Banerjee, Arindam ORCID: https://orcid.org/0000-0002-1309-921X (2023) Histidine-containing amphiphilic peptide-based non-cytotoxic hydrogelator with antibacterial activity and sustainable drug release. Langmuir, 39 (21). pp. 7307-7316. ISSN 1520-5827 doi: https://doi.org/10.1021/acs.langmuir.3c00235

Hansda, Biswanath, Mondal, Biplab, Hazra, Soumyajit, Das, Krishna Sundar, Castelletto, Valeria, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 and Banerjee, Arindam ORCID: https://orcid.org/0000-0002-1309-921X (2023) Effect of molar ratio and concentration on the rheological properties of two-component supramolecular hydrogels: tuning of the morphological and drug releasing behaviour. Soft Matter, 19 (42). pp. 8264-8273. ISSN 1744-6848 doi: https://doi.org/10.1039/d3sm00883e

Harle, Joshua, Slater, Catherine and Cafiero, Mauricio ORCID: https://orcid.org/0000-0002-4895-1783 (2023) Investigating paracetamol's role as a potential treatment for Parkinson's Disease: ab initio analysis of dopamine, L-DOPA, paracetamol, and NAPQI interactions with enzymes involved in dopamine metabolism. ACS Omega, 8 (41). pp. 38053-38063. ISSN 2470-1343 doi: https://doi.org/10.1021/acsomega.3c03888

Hatstat, A. Katherine, Kennedy, Grace M., Squires, Trevor R., Xhafkollari, Gisela, Cochrane, C. Skyler, Cafiero, Mauricio ORCID: https://orcid.org/0000-0002-4895-1783 and Peterson, Larryn W. (2023) Synthesis and analysis of novel catecholic ligands as inhibitors of catechol-O-methyltransferase. Bioorganic & Medicinal Chemistry Letters, 88. 129286. ISSN 0960-894X doi: https://doi.org/10.1016/j.bmcl.2023.129286

Hussain, Mushraf, Razi, Syed S., Tao, Tao and Hartl, Frantisek (2023) Triplet-triplet annihilation photon up-conversion: accessing triplet excited states with minimum energy loss. Journal of Photochemistry and Photobiology C: Photochemistry reviews, 56. 100618. ISSN 1873-2739 doi: https://doi.org/10.1016/j.jphotochemrev.2023.100618

Karmakar, Mridul, Sk, Wahedur, Gomila, Rosa M. ORCID: https://orcid.org/0000-0002-0827-8504, Drew, Michael. G. B., Frontera, Antonio ORCID: https://orcid.org/0000-0001-7840-2139 and Chattopadhyay, Shouvik ORCID: https://orcid.org/0000-0001-7772-9009 (2023) An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(III) complexes with N2O2donor salicylidine Schiff base ligands. RSC Advances, 13 (31). pp. 21211-21224. ISSN 2046-2069 doi: https://doi.org/10.1039/d3ra04044e

Kearney, Lauren, Brandon, Michael P., Coleman, Andrew, Chippindale, Ann M., Hartl, Frantisek, Lalrempuia, Ralte, Pižl, Martin and Pryce, Mary T. (2023) Ligand−structure effects on N−heterocyclic carbene rhenium photo− and electrocatalysts of CO2 reduction. Molecules, 28 (10). 4149. ISSN 1420-3049 doi: https://doi.org/10.3390/molecules28104149

Krenkel, Henriette, Brown, Jeffery, Morris, Michael and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2023) The use of salts, buffers and surfactants in LAP-MALDI MS. International Journal of Mass Spectrometry, 493. 117314. ISSN 1873-2798 doi: https://doi.org/10.1016/j.ijms.2023.117134

Langford, Ben, Ryalls, James W. M. ORCID: https://orcid.org/0000-0003-2015-3605, Mullinger, Neil J., Hayden, Paul, Nemitz, Eiko, Pfrang, Christian, Robins, Alan, Touhami, Dalila, Bromfield, Lisa M. and Girling, Robbie D. ORCID: https://orcid.org/0000-0001-8816-8075 (2023) Mapping the effects of ozone pollution and mixing on floral odour plumes and their impact on plant-pollinator interactions. Environmental Pollution. 122336. ISSN 0269-7491 doi: https://doi.org/10.1016/j.envpol.2023.122336

Lellman, Sophie E., Reynolds, Christopher K. ORCID: https://orcid.org/0000-0002-4152-1190, Jones, A. K. Barney, Taylor, Nick and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2023) LAP-MALDI MS profiling and identification of potential biomarkers for the detection of bovine tuberculosis. Journal of Agricultural and Food Chemistry, 71 (37). pp. 13899-13905. ISSN 1520-5118 doi: https://doi.org/10.1021/acs.jafc.3c01879

Liu, Jinghua, Li, Jingqing ORCID: https://orcid.org/0000-0003-4776-9979, Liu, Binyuan ORCID: https://orcid.org/0000-0003-2204-8489, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 and Jiang, Shichun ORCID: https://orcid.org/0000-0003-3818-0230 (2023) Mpemba effect in crystallization of polybutene-1. Soft Matter, 2023 (19). pp. 3337-3347. ISSN 1744-6848 doi: https://doi.org/10.1039/d3sm00309d

Liu, Sheng Hua, Ou, Ya-Ping and Hartl, Frantisek (2023) Electronic communication in Mixed-Valence (MV) ethynyl, butadiynediyl, and polyynediyl complexes of iron, ruthenium, and other late transition metals. In: Zhong, Yu-Wu, Liu, Chun Y. and Reimers, Jeffrey R. (eds.) Mixed-Valence Systems: Fundamentals, Synthesis, Electron Transfer, and Applications. Wiley-VCH, Weinheim, pp. 151-180. ISBN 9783527349807 doi: https://doi.org/10.1002/9783527835287.ch5

Liu, Ying ORCID: https://orcid.org/0000-0001-9862-5786, Drew, Michael G. B. ORCID: https://orcid.org/0000-0001-8687-3440 and Liu, Yue ORCID: https://orcid.org/0000-0001-5924-9730 (2023) A physics investigation on impedance matching theory in microwave absorption film. II. Problem analyses. Journal of Applied Physics, 134 (4). ISSN 1089-7550 doi: https://doi.org/10.1063/5.0153612

Liu, Ying ORCID: https://orcid.org/0000-0001-9862-5786, Drew, Michael G. B. ORCID: https://orcid.org/0000-0001-8687-3440 and Liu, Yue ORCID: https://orcid.org/0000-0001-5924-9730 (2023) A physics investigation on impedance matching theory in microwave absorption film—Part I. Theory. Journal of Applied Physics, 134 (4). 045303. ISSN 1089-7550 doi: https://doi.org/10.1063/5.0153608

Lourenço, Thiago C., de Mello, Lucas R. ORCID: https://orcid.org/0000-0001-7630-5087, Icimoto, Marcelo Y. ORCID: https://orcid.org/0000-0002-0746-5279, Bicev, Renata N. ORCID: https://orcid.org/0000-0002-5951-9005, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926, Castelletto, Valeria, Nakaie, Clovis R. ORCID: https://orcid.org/0000-0001-7057-1990 and da Silva, Emerson R. ORCID: https://orcid.org/0000-0001-5876-2276 (2023) DNA-templated self-assembly of bradykinin into bioactive nanofibrils. Soft Matter, 19 (26). pp. 4869-4879. ISSN 1744-6848 doi: https://doi.org/10.1039/d3sm00431g

Middya, Puspendu, Karmakar, Mainak, Gomila, Rosa M., Drew, Michael G. B., Frontera, Antonio ORCID: https://orcid.org/0000-0001-7840-2139 and Chattopadhyay, Shouvik ORCID: https://orcid.org/0000-0001-7772-9009 (2023) The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands. New Journal of Chemistry, 47 (19). pp. 9346-9363. ISSN 1369-9261 doi: https://doi.org/10.1039/d2nj05490f

Milsom, Adam ORCID: https://orcid.org/0000-0003-3875-9015, Squires, Adam M. ORCID: https://orcid.org/0000-0003-1396-467X, Ward, Andrew D. ORCID: https://orcid.org/0000-0001-6946-2391 and Pfrang, Christian ORCID: https://orcid.org/0000-0001-9023-5281 (2023) Molecular self-organization in surfactant atmospheric aerosol proxies. Accounts of Chemical Research. ISSN 1520-4898 doi: https://doi.org/10.1021/acs.accounts.3c00194

Mukherjee, Shriparna, Voneshen, David J., Duff, Andrew, Goodard, Pooja, Powell, Anthony V. and Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 (2023) Beyond rattling: tetrahedrites as incipient ionic conductors. Advanced Materials. 2306088. ISSN 0935-9648 doi: https://doi.org/10.1002/adma.202306088 (In Press)

Ortlieb, Levke, Ingebrigtsen, Trond S., Hallett, James E. ORCID: https://orcid.org/0000-0002-9747-9980, Turci, Francesco and Royall, C. Patrick (2023) Probing excitations and cooperatively rearranging regions in deeply supercooled liquids. Nature Communications, 14. 2621. ISSN 2041-1723 doi: https://doi.org/10.1038/s41467-023-37793-2

Piras, Cristian and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2023) Liquid Atmospheric Pressure (LAP) - MALDI MS(/MS) biomolecular profiling for large-scale detection of animal disease and food adulteration and bacterial identification. In: Shah, Haroun N., Gharbia, Saheer E., Shah, Ajit, Tranfield, Erika and Thompson, Clive (eds.) Microbiological Identification using MALDI-TOF and Tandem Mass Spectrometry: Industrial and Environmental Applications. Wiley. ISBN 9781119814054 (In Press)

Plata, Jose J., Blancas, Ernesto J., Marquez, Antonio M., Posligua, Victor, Fdez Sanz, Javier and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2023) Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring. Journal of Materials Chemistry A. ISSN 0959-9428 doi: https://doi.org/10.1039/D3TA02055J

Plata, Jose J. ORCID: https://orcid.org/0000-0002-0859-0450, Blancas, Ernesto J. ORCID: https://orcid.org/0000-0002-9453-389X, Márquez, Antonio M. ORCID: https://orcid.org/0000-0001-6699-064X, Posligua, Victor ORCID: https://orcid.org/0000-0003-3375-3706, Fdez Sanz, Javier and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2023) Harnessing the unusually strong improvement of thermoelectric performance of AgInTe₂ with nanostructuring. Journal of Materials Chemistry A. ISSN 2050-7496 doi: https://doi.org/10.1039/d3ta02055j

Pozza, Maria Dalla, Mesdom, Pierre, Abdullrahman, Ahmad, Prieto Otoya, Tayler D., Arnoux, Philippe, Frochot, Céline ORCID: https://orcid.org/0000-0002-7659-3864, Niogret, Germain, Saubaméa, Bruno, Burckel, Pierre, Hall, James P. ORCID: https://orcid.org/0000-0003-3716-4378, Hollenstein, Marcel ORCID: https://orcid.org/0000-0003-0263-9206, Cardin, Christine J. ORCID: https://orcid.org/0000-0002-2556-9995 and Gasser, Gilles ORCID: https://orcid.org/0000-0002-4244-5097 (2023) Increasing the π-expansive ligands in ruthenium(II) polypyridyl complexes: synthesis, characterization, and biological evaluation for photodynamic therapy applications. Inorganic Chemistry, 62 (45). pp. 18510-18523. ISSN 1520-510X doi: https://doi.org/10.1021/acs.inorgchem.3c02606

Prado Gonjal, Jesús, Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262, Kowalczyk, Radoslaw M. ORCID: https://orcid.org/0000-0002-3926-6530, Smith, Ronald I. and Powell, Anthony V. (2023) Lithium-filled skutterudites by intercalation at ambient-temperature. Zeitschrift Fur Anorganische Und Allgemeine Chemie. e202300087. ISSN 0044-2313 doi: https://doi.org/10.1002/zaac.202300087

Rosa, Elisabetta, Diaferia, Carlo, De Mello, Lucas, Seitsonen, Jani, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 and Accardo, Antonella ORCID: https://orcid.org/0000-0002-7899-2359 (2023) Self-assembled aggregates based on cationic amphiphilic peptides: structural insight. Soft Matter, 19 (25). pp. 4686-4696. ISSN 1744-6848 doi: https://doi.org/10.1039/d3sm00363a

Rosa, Elisabetta, de Mello, Lucas, Castelletto, Valeria ORCID: https://orcid.org/0000-0002-3705-0162, Dallas, Mark ORCID: https://orcid.org/0000-0002-5190-0522, Accardo, Antonella, Seitsonen, Jani and Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2023) Cell adhesion motif-functionalized lipopeptides: nanostructure and selective myoblast cytocompatibility. Biomacromolecules, 24 (1). pp. 213-224. ISSN 1525-7797 doi: https://doi.org/10.1021/acs.biomac.2c01068

Sarkar, Rabi Sankar ORCID: https://orcid.org/0000-0003-4173-4679, Gómez-García, Carlos J. ORCID: https://orcid.org/0000-0002-0015-577X, Drew, Michael G. B. and Chattopadhyay, Shouvik ORCID: https://orcid.org/0000-0001-7772-9009 (2023) Slow relaxation of the magnetization in two cobalt (III)/cobalt (II) dimers. New Journal of Chemistry. ISSN 1369-9261 doi: https://doi.org/10.1039/d3nj02890a

Selfe, Zoe (2023) Synthesis of novel metal selective ligand systems. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00113182

Thamarai Krishnan, Sanduru, Winkler, David, Creek, Darren, Anderson, Dovile, Kirana, Chandra, Maddern, Guy J, Fenix, Kevin, Hauben, Ehud, Rudd, David and Voelcker, Nicolas Hans (2023) Staging of colorectal cancer using lipid biomarkers and machine learning. Metabolomics, 19 (10). 84. ISSN 1573-3890 doi: https://doi.org/10.1007/s11306-023-02049-z

Tippireddy, Sahil, Azough, Feridoon, Bhui, Animesh, Mikulska, Iuliia, Freer, Robert, Biswas, Kanishka, Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 and Powell, Anthony V. (2023) Enhancement of thermoelectric properties of CuFeS2 through formation of spinel-type microprecipitates. Journal of Materials Chemistry A, 11 (42). pp. 22960-22970. ISSN 0959-9428 doi: https://doi.org/10.1039/D3TA05011D

Vilaça, Helena ORCID: https://orcid.org/0000-0002-8132-9080, Carvalho, André ORCID: https://orcid.org/0000-0002-4816-6371, Castro, Tarsila ORCID: https://orcid.org/0000-0002-1040-459X, Castanheira, Elisabete M.S. ORCID: https://orcid.org/0000-0002-5829-6081, Hilliou, Loic ORCID: https://orcid.org/0000-0002-9936-8088, Hamley, Ian ORCID: https://orcid.org/0000-0002-4549-0926, Melle-Franco, Manuel ORCID: https://orcid.org/0000-0003-1929-0477, Ferreira, Paula M.T. ORCID: https://orcid.org/0000-0002-3279-6731 and Martins, José A. ORCID: https://orcid.org/0000-0001-9323-3978 (2023) Unveiling the role of capping groups in naphthalene n-capped dehydrodipeptide hydrogels. Gels, 9 (6). 464. ISSN 2310-2861 doi: https://doi.org/10.3390/gels9060464

2022

Akbar, Samina ORCID: https://orcid.org/0000-0002-9456-3861, Elliott, Joanne M., Squires, Adam M. and Anwar, Aneela ORCID: https://orcid.org/0000-0002-2991-0281 (2022) Use of cubic structure with primitive nanochannels for fabrication of free standing 3D nanowire network of Pt with Pm3m symmetry. Nanotechnology, 33 (19). 195602. ISSN 1361-6528 doi: https://doi.org/10.1088/1361-6528/ac4f16

Aldowiesh, Alaa, Mangelis, Panagiotis, Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 and Powell, Anthony V. (2022) The impact of a magnetic ion on the thermoelectric properties of copper-rich quaternary selenides. Journal of Physics: Energy, 4 (3). 034001. ISSN 2515-7655 doi: https://doi.org/10.1088/2515-7655/ac6a11

Aldred, P. L., Leroux, Flavien, Colquhoun, H. M. and Aricò, F. (2022) Unravelling the crystal and molecular structure of a 1,3-linked aromatic poly(ether-ketone). Materials Today - Chemistry, 24. 100853. ISSN 2468-5194 doi: https://doi.org/10.1016/j.mtchem.2022.100853

Aljuaid, Nada, Seitsonen, Jani, Ruokolainen, Janne, Greco, Francesca ORCID: https://orcid.org/0000-0001-7934-0056 and Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2022) Micelle and nanotape formation of Benzene Tricarboxamide analogues with selective cancer cell cytotoxicity. ACS Omega, 7 (50). pp. 46843-46848. ISSN 2470-1343 doi: https://doi.org/10.1021/acsomega.2c05940

Antunes, Luis M. ORCID: https://orcid.org/0000-0002-4867-5635, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 and Butler, Keith T. ORCID: https://orcid.org/0000-0001-5432-5597 (2022) Distributed representations of atoms and materials for machine learning. npj Computational Materials, 8 (1). 44. ISSN 2057-3960 doi: https://doi.org/10.1038/s41524-022-00729-3

Antunes, Luis M, Vikram, Vikram, Plata, Jose J., Powell, Anthony V., Butler, Keith T and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2022) Machine learning approaches for accelerating the discovery of thermoelectric materials. In: An, Yuling (ed.) Machine Learning in Materials Informatics: Methods and Applications. American Chemical Society, Washington, DC, pp. 1-32. ISBN 9780841297630 doi: https://doi.org/10.1021/bk-2022-1416.ch001

Bag, Riya ORCID: https://orcid.org/0000-0001-8378-053X, Sikdar, Yeasin ORCID: https://orcid.org/0000-0002-1146-9950, Sahu, Sutapa, Bag, Jayanta ORCID: https://orcid.org/0000-0002-7087-0867, Drew, Michael G. B., Pal, Kuntal ORCID: https://orcid.org/0000-0003-4422-6450 and Goswami, Sanchita ORCID: https://orcid.org/0000-0002-1045-2508 (2022) Strategic substitution of −OH/−NR 2 (R=Et, Me) imparts colorimetric switching between F − and Hg 2+ by salicyaldehyde/benzaldehyde‐quinoxaline conjugates. ChemPhysChem, 23 (4). e202100718. ISSN 1439-7641 doi: https://doi.org/10.1002/cphc.202100718

Baker, B. C., O'Donnell, A. D., Sonkar, Priya, Hyder, M., German, I. M. and Hayes, W. (2022) A supramolecular glass made from a low molecular weight amino acid derivative. European Polymer Journal, 162. 110889. ISSN 0014-3057 doi: https://doi.org/10.1016/j.eurpolymj.2021.110889

Basham, Vincent, Hancock, Tom, McKendrick, John ORCID: https://orcid.org/0000-0003-2275-0569, Tessarolo, Nathalia and Wicking, Chrissie (2022) Detailed chemical analysis of a fully formulated oil using dielectric barrier discharge ionisation-mass spectrometry. Rapid Communications in Mass Spectrometry, 36 (14). e9320. ISSN 1097-0231 doi: https://doi.org/10.1002/rcm.9320

Carrillo-Berdugo, Iván, Sampalo-Guzmán, Javier, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719, Zorrilla, David and Navas, Javier (2022) Interface chemistry effects in nanofluids: Experimental and computational study of oil-based nanofluids with gold nanoplates. Journal of Molecular Liquids, 362. 119762. ISSN 0167-7322 doi: https://doi.org/10.1016/j.molliq.2022.119762

Castelletto, Valeria ORCID: https://orcid.org/0000-0002-3705-0162 and Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2022) Amyloid and hydrogel formation of a peptide sequence from a coronavirus spike protein. ACS Nano, 16 (2). pp. 1857-1867. ISSN 1936-086X doi: https://doi.org/10.1021/acsnano.1c10658

Castelletto, Valeria, de Mello, Lucas ORCID: https://orcid.org/0000-0001-7630-5087, Arfara, Foteini, Iatrou, Hermis ORCID: https://orcid.org/0000-0001-9358-0769, Seitsonen, Jani and Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2022) Influence of polymer molar mass and mixture stoichiometry on polyelectrolyte complexes of poly(l-arginine) and Poly(l-glutamic acid). Polymer, 263. 125497. ISSN 0032-3861 doi: https://doi.org/10.1016/j.polymer.2022.125497

Challen, Bob and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2022) Advances in ionisation techniques for mass spectrometry‐based omics research. Proteomics, 22 (15-16). 2100394. ISSN 1615-9853 doi: https://doi.org/10.1002/pmic.202100394

Chen, H., Hart, L. R., Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 and Siviour, C. R. (2022) Experimental characterisation and modelling of the strain rate dependent mechanical response of a filled thermo-reversible supramolecular polyurethane. International Journal of Impact Engineering, 166. 104239. ISSN 0734-743X doi: https://doi.org/10.1016/j.ijimpeng.2022.104239

Clarke, Coby J. ORCID: https://orcid.org/0000-0003-2698-3490, Baaqel, Husain, Matthews, Richard P. ORCID: https://orcid.org/0000-0003-3328-4954, Chen, Yiyan, Lovelock, Kevin R. J. ORCID: https://orcid.org/0000-0003-1431-269X, Hallett, Jason P. ORCID: https://orcid.org/0000-0003-3431-2371 and Licence, Peter ORCID: https://orcid.org/0000-0003-2992-0153 (2022) Halometallate ionic liquids: thermal properties, decomposition pathways, and life cycle considerations. Green Chemistry, 24 (15). pp. 5800-5812. ISSN 1463-9270 doi: https://doi.org/10.1039/d2gc01983c

Dalla Pozza, Maria, Abdullrahman, Ahmad, Cardin, Christine J. ORCID: https://orcid.org/0000-0002-2556-9995, Gasser, Gilles and Hall, James P. ORCID: https://orcid.org/0000-0003-3716-4378 (2022) Three’s a crowd – stabilisation, structure, and applications of DNA triplexes. Chemical Science (35). pp. 10193-10215. ISSN 2041-6539 doi: https://doi.org/10.1039/d2sc01793h

Das, Chandrima, Mondal, Antu, Sengupta, Swaraj, Cardin, Christine ORCID: https://orcid.org/0000-0002-2556-9995 and Chattopadhyay, Shyamal Kumar (2022) Selective cyanide sensing using a Fe(III) complex of pyridoxal-beta alanine Schiff base. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 273. 120943. ISSN 1386-1425 doi: https://doi.org/10.1016/j.saa.2022.120943

Doherty, Simon ORCID: https://orcid.org/0000-0003-1103-8090, Knight, Julian G., Alharbi, Hussam Y., Paterson, Reece, Wills, Corinne, Dixon, Casey, Šiller, Lidija, Chamberlain, Thomas W., Griffiths, Anthony, Collins, Sean M., Wu, Kejun, Simmons, Matthew D., Bourne, Richard A., Lovelock, Kevin R. J. and Seymour, Jake (2022) Efficient hydrolytic hydrogen evolution from sodium borohydride catalyzed by polymer immobilized ionic liquid‐stabilized platinum nanoparticles. ChemCatChem, 14 (4). e202101752. ISSN 1867-3899 doi: https://doi.org/10.1002/cctc.202101752

Freer, Robert, Ekren, Dursun, Ghosh, Tanmoy, Biswas, Kanishka, Qiu, Pengfei, Wan, Shun, Chen, Lidong D., Han, Shen, Fu, Chenguang, Zhu, Tiejun, Shawon, A. K. M. Ashiquzzaman, Zevalkink, Alexandra, Imasato, Kazuki, Snyder, G. Jeffrey, Ozen, Melis, Saglik, Kivanc, Aydemir, Umut, Cardoso-Gil, Raul, Svanidze, E., Funahashi, Ryoji, Powell, Anthony V., Mukherjee, Shriparna, Tippireddy, Sahil, Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262, Gascoin, Frank, Kyratsi, Theodora, Sauerschnig, Philipp and Mori, Takao (2022) Key properties of inorganic thermoelectric materials – tables (version 1). Journal of Physics: Energy. ISSN 2515-7655 doi: https://doi.org/10.1088/2515-7655/ac49dc (In Press)

Gavriel, Alexander G., Sambrook, Mark R., Russell, Andrew T. and Hayes, Wayne ORCID: https://orcid.org/0000-0003-0047-2991 (2022) Recent advances in self-immolative linkers and their applications in polymeric reporting systems. Polymer Chemistry, 13 (22). pp. 3188-3269. ISSN 1759-9954 doi: https://doi.org/10.1039/D2PY00414C

Gerbelli, Bárbara B., Filho, Pedro L. O., Cortez, Bruna, Sodré, Pedro T., Coutinho-Neto, Mauricio D., Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926, Seitsonen, Jani and Alves, Wendel A. (2022) Interaction between glyphosate pesticide and amphiphilic peptides for colorimetric analysis. Nanoscale Advances, 4 (17). pp. 3592-3599. ISSN 2516-0230 doi: https://doi.org/10.1039/D2NA00345G

Gousseva, Ekaterina, Midgley, Scott D., Seymour, Jake M., Seidel, Robert ORCID: https://orcid.org/0000-0003-2613-4106, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 and Lovelock, Kevin R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2022) Understanding X-ray photoelectron spectra of ionic liquids: experiments and simulations of 1-butyl-3-methylimidazolium thiocyanate. Journal of Physical Chemistry B, 126 (49). pp. 10500-10509. ISSN 1520-6106 doi: https://doi.org/10.1021/acs.jpcb.2c06372

Grover, Shivani (2022) First-principles modelling of functional perovskites. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00113103

Grover, Shivani, Butler, Keith T., Waghmare, Umesh V. and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2022) Co-substituted BiFeO3: electronic, ferroelectric, and thermodynamic properties from first principles. Advanced Theory and Simulations. 2200673. ISSN 2513-0390 doi: https://doi.org/10.1002/adts.202200673

Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2022) Diffuse scattering from lamellar structures. Soft Matter, 18 (4). pp. 711-721. ISSN 1744-683X doi: https://doi.org/10.1039/D1SM01758F

Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 (2022) Peptides for vaccine development. ACS Applied Bio Materials, 5 (3). pp. 905-944. ISSN 2576-6422 doi: https://doi.org/10.1021/acsabm.1c01238

Hu, Yu Xuan, Deng, Qianqian, Ou, Ya-Ping, Yang, Xiaofei, Zhang, Jing, Garrett, Emily K. ORCID: https://orcid.org/0000-0002-5360-7645, Zhu, Jun ORCID: https://orcid.org/0000-0002-2099-3156, Liu, Sheng Hua ORCID: https://orcid.org/0000-0002-0784-6418 and Hartl, František ORCID: https://orcid.org/0000-0002-7013-5360 (2022) A conjugated diosma-octacyclic complex and its mixed-valence singly reduced state. Inorganic Chemistry Frontiers, 9 (22). pp. 5893-5902. ISSN 2052-1553 doi: https://doi.org/10.1039/d2qi01523d

Hyder, M., O'Donnell, A. D., Chippindale, A. M., German, I. M., Harries, J. L., Shebanova, O., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926 and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2022) Tailoring viscoelastic properties of dynamic supramolecular poly(butadiene)-based elastomers. Materials Today Chemistry, 26. 101008. ISSN 2468-5194 doi: https://doi.org/10.1016/j.mtchem.2022.101008

Keane, Páraic M. ORCID: https://orcid.org/0000-0003-2828-8512, Zehe, Clara ORCID: https://orcid.org/0000-0002-3213-5669, Poynton, Fergus E., Bright, Sandra A., Estayalo-Adrián, Sandra ORCID: https://orcid.org/0000-0002-2896-7059, Devereux, Stephen J., Donaldson, Paul M. ORCID: https://orcid.org/0000-0002-0305-9142, Sazanovich, Igor V. ORCID: https://orcid.org/0000-0002-8000-7645, Towrie, Michael, Botchway, Stanley W., Cardin, Christine J. ORCID: https://orcid.org/0000-0002-2556-9995, Williams, D. Clive, Gunnlaugsson, Thorfinnur ORCID: https://orcid.org/0000-0003-4814-6853, Long, Conor ORCID: https://orcid.org/0000-0002-9484-8744, Kelly, John M. ORCID: https://orcid.org/0000-0002-3706-1777 and Quinn, Susan J. ORCID: https://orcid.org/0000-0002-7773-8842 (2022) Time-resolved infra-red studies of photo-excited porphyrins in the presence of nucleic acids and in HeLa tumour cells: insights into binding site and electron transfer dynamics. Physical Chemistry Chemical Physics, 24 (44). pp. 27524-27531. ISSN 1463-9076 doi: https://doi.org/10.1039/d2cp04604k

Knight, Kevin S., Gibbs, Alexandra S., Bull, Craig L., Powell, Anthony V., Funnell, Nicholas P. and Ridley, Christopher J. (2022) Low-intermediate-temperature, high-pressure thermoelastic and crystallographic properties of thermoelectric clausthalite (PbSe-I). Materials Advances, 3 (4). pp. 2077-2088. ISSN ISSN 2633-5409 doi: https://doi.org/10.1039/D1MA01093J

Krenkel, Henriette, Brown, Jeffery, Richardson, Keith, Hoyes, Emmy, Morris, Michael and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2022) Ultrahigh-throughput sample analysis using liquid atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometry. Analytical Chemistry, 94 (10). pp. 4141-4145. ISSN 0003-2700 doi: https://doi.org/10.1021/acs.analchem.1c05614

Large, Alexander I., Bennett, Roger A. ORCID: https://orcid.org/0000-0001-6266-3510, Eralp-Erden, Tugce and Held, Georg (2022) In situ surface analysis of palladium-platinum alloys in methane oxidation conditions. Faraday Discussions, 236. pp. 157-177. ISSN 1364-5498 doi: https://doi.org/10.1039/D1FD00113B

Liu, Wenqi, Das, Partha J., Colquhoun, Howard M. and Stoddart, J. Fraser (2022) Whither second-sphere coordination? CCS Chemistry, 4 (3). pp. 755-784. ISSN 2096-5745 doi: https://doi.org/10.31635/ccschem.021.202101286

Maji, Krishnendu, Lemoine, Pierric, Renaud, Adèle, Zhang, Bin, Zhou, Xiaoyuan, Carnevali, Virginia, Candolfi, Christophe, Raveau, Bernard, Al Orabi, Rabih Al Rahal, Fornari, Marco, Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262, Pasturel, Mathieu, Prestipino, Carmelo and Guilmeau, Emmanuel (2022) A tunable structural family with ultralow thermal conductivity: copper deficient Cu1-x□xPb1-xBi1+xS3. Journal of the American Chemical Society, 144 (4). pp. 1846-1860. ISSN 0002-7863 doi: https://doi.org/10.1021/jacs.1c11998

McQuaid, Kane T. ORCID: https://orcid.org/0000-0002-3222-5584, Pipier, Angélique, Cardin, Christine J. ORCID: https://orcid.org/0000-0002-2556-9995 and Monchaud, David ORCID: https://orcid.org/0000-0002-3056-9295 (2022) Interactions of small molecules with DNA junctions. Nucleic Acids Research, 50 (22). pp. 12636-12656. ISSN 1362-4962 doi: https://doi.org/10.1093/nar/gkac1043

McQuaid, Kane T., Takahashi, Shuntaro, Baumgaertner, Lena, Cardin, David J., Paterson, Neil G., Hall, James P., Sugimoto, Naoki and Cardin, Christine J. ORCID: https://orcid.org/0000-0002-2556-9995 (2022) Ruthenium polypyridyl complex bound to a unimolecular chair-form G-quadruplex. Journal of the American Chemical Society, 144 (13). pp. 5956-5964. ISSN 0002-7863 doi: https://doi.org/10.1021/jacs.2c00178

Menendez-Proupin, Eduardo, Grover, Shivani, Montero-Alejo, Ana L., Midgley, Scott D., Butler, Keith T. and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2022) Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study. Journal of Materials Chemistry A, 10 (17). pp. 9592-9603. ISSN 0959-9428 doi: https://doi.org/10.1039/D1TA10860C

Midgley, Scott D., Fleitmann, Dominik and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2022) Bromate incorporation in calcite and aragonite. Geochimica Et Cosmochimica Acta, 324. pp. 17-25. ISSN 0016-7037 doi: https://doi.org/10.1016/j.gca.2022.02.028

Mondal, Biplab, Gupta, Vivek Kumar, Hansda, Biswanath, Bhoumik, Arpita, Mondal, Tanushree, Majumder, Hemanta K., Edwards-Gayle, Charlotte J. C., Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926, Jaisankar, Parasuraman and Banerjee, Arindam (2022) Amino acid containing amphiphilic hydrogelators with antibacterial and antiparasitic activities. Soft Matter, 18 (37). pp. 7201-7216. ISSN 1744-683X doi: https://doi.org/10.1039/D2SM00562J

Mukherjee, Shriparna, Powell, Anthony V., Voneshen, David J. and Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 (2022) Talnakhite: a potential n-type thermoelectric sulphide with low thermal conductivity. Journal of Solid State Chemistry, 314. 123425. ISSN 0022-4596 doi: https://doi.org/10.1016/j.jssc.2022.123425

O'Donnell, A. D., Salimi, S., Hart, L. R., Babra, T. S., Greenland, B. W. and Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991 (2022) Applications of supramolecular polymer networks. Reactive and Functional Polymers, 172. 105209. ISSN 1381-5148 doi: https://doi.org/10.1016/j.reactfunctpolym.2022.105209

Orton, Georgia R. F., Ghosh, Shishir, Alker, Lucy, Sarker, Jagodish C., Pugh, David, Richmond, MIchael G., Hartl, Frantisek and Hogarth, Graeme (2022) Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates. Dalton Transactions, 51 (25). pp. 9748-9769. ISSN 1364-5447 doi: https://doi.org/10.1039/d2dt00419d

Paterson, Reece ORCID: https://orcid.org/0000-0002-9237-6130, Alharbi, Adhwa A. ORCID: https://orcid.org/0000-0001-7189-2008, Wills, Corinne ORCID: https://orcid.org/0000-0002-6571-2389, Dixon, Casey, Šiller, Lidja, Chamberlain, Thomas W. ORCID: https://orcid.org/0000-0001-8100-6452, Griffiths, Anthony, Collins, Sean M. ORCID: https://orcid.org/0000-0002-5151-6360, Wu, Kejun, Simmons, Matthew D. ORCID: https://orcid.org/0000-0001-7598-7266, Bourne, Richard A., Lovelock, Kevin R. J., Seymour, Jake, Knight, Julian G. ORCID: https://orcid.org/0000-0002-1120-8259 and Doherty, Simon ORCID: https://orcid.org/0000-0003-1103-8090 (2022) Heteroatom modified polymer immobilized ionic liquid stabilized ruthenium nanoparticles: efficient catalysts for the hydrolytic evolution of hydrogen from sodium borohydride. Molecular Catalysis, 528. 112476. ISSN 2468-8231 doi: https://doi.org/10.1016/j.mcat.2022.112476

Piras, Cristian, Hale, Oliver J., Reynolds, Christopher K. ORCID: https://orcid.org/0000-0002-4152-1190, Jones, A. K. (Barney), Taylor, Nick, Morris, Michael and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2022) LAP-MALDI MS coupled with machine learning: an ambient mass spectrometry approach for high-throughput diagnostics. Chemical Science, 13 (6). pp. 1746-1758. ISSN 1478-6524 doi: https://doi.org/10.1039/D1SC05171G

Plata, Jose J., Posligua, Victor, Marquez, Antonio M., Sanz, Javier Fernandez and Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 (2022) Charting the lattice thermal conductivities of I-III-VI2 chalcopyrite semiconductors. Chemistry of Materials, 34 (6). pp. 2833-2841. ISSN 1520-5002 doi: https://doi.org/10.1021/acs.chemmater.2c00336

Powell, Anthony V. (2022) Inorganic Thermoelectric Materials. Inorganic Materials. Royal Society of Chemistry. ISBN 9781788019606 doi: https://doi.org/10.1039/9781788019590

Reeves, Sarah J., Davis, Fred J. and Mitchell, Geoffrey R. (2022) Ferronematic liquid crystal polymers and elastomers. In: MATERIALS 2022. doi: https://doi.org/10.3390/materproc2022008135

Sanchez-Palencia, Pablo, Hamad, Said, Palacios, Pablo, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 and Butler, Keith T. (2022) Spinel nitride solid solutions: charting properties in the configurational space with explainable machine learning. Digital Discovery, 1 (5). pp. 665-678. ISSN 2635-098X doi: https://doi.org/10.1039/D2DD00038E

Seymour, Jake M. (2022) An investigation of the electronic structure of ions in the liquid phase using x-ray spectroscopic techniques. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00113104

Seymour, J. M. ORCID: https://orcid.org/0000-0002-1217-9541, Gousseva, E., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Large, A. I. ORCID: https://orcid.org/0000-0001-8676-4172, Held, G. ORCID: https://orcid.org/0000-0003-0726-4183, Hein, D., Wartner, G., Quevedo, W., Seidel, R. ORCID: https://orcid.org/0000-0003-2613-4106, Kolbeck, C., Clarke, C. J. ORCID: https://orcid.org/0000-0003-2698-3490, Fogarty, R. M. ORCID: https://orcid.org/0000-0002-2617-4207, Bourne, R. A. ORCID: https://orcid.org/0000-0001-7107-6297, Palgrave, R. G. ORCID: https://orcid.org/0000-0003-4522-2486, Hunt, P. A. ORCID: https://orcid.org/0000-0001-9144-1853 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2022) Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states. Faraday Discussions, 236. 389. ISSN 1364-5498 doi: https://doi.org/10.1039/d1fd00117e

Tippireddy, Sahil, Azough, Feridoon, Vikram, Vikram, Towers Tompkins, Frances, Bhui, Animesh, Freer, Robert, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719, Biswas, Kanishka, Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 and Powell, Anthony V. (2022) Tin-substituted chalcopyrite: an n-type sulfide with enhanced thermoelectric performance. Chemistry of Materials, 34 (13). pp. 5860-5873. ISSN 1520-5002 doi: https://doi.org/10.1021/acs.chemmater.2c00637

Tippireddy, Sahil, Powell, Anthony V. and Wong, Terence Kin Shun (2022) High-performance low-cost sulfide/selenide thermoelectric devices. In: Dalapati, G., Wong, T. S., Kundu, S, Chraborty, A. and Zhuk, S. (eds.) Sulfide and Selenide Based Materials for Emerging Applications: Sustainable Energy Harvesting and Storage Technology. Elsevier, Amsterdam, pp. 329-375. ISBN 9780323998604 doi: https://doi.org/10.1016/B978-0-323-99860-4.00014-9

Tippireddy, Sahil, azough, Feridoon, Vikram, Vikram, Bhui, Animesh, Chater, Philip, Kepaptsoglou, Demie, Ramasse, Quentin, Freer, Robert, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719, Biswas, Kanishka, Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 and Powell, Anthony V. (2022) Local structural distortions and reduced thermal conductivity in Ge-Substituted Chalcopyrite. Journal of Materials Chemistry A, 10 (44). pp. 23874-23885. ISSN 0959-9428 doi: https://doi.org/10.1039/D2TA06443J

Trunks, Thomas M., Babra, Jasraj Singh, Westwood, James and Smith, Christopher D. (2022) A homocoupling approach to the key dione of CyMe4-BTPhen – vital ligands for nuclear clean-up by the SANEX process. SynOpen, 6 (1). pp. 16-18. ISSN 2509-9396 doi: https://doi.org/10.1055/a-1737-8610

Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 (2022) Synthesis and property measurements of thermoelectric materials. In: Powell, Anthony V. (ed.) Inorganic Thermoelectric Materials: From Fundamental Concepts to Materials Design. Inorganic Materials Series (9). Royal Society of Chemistry, Cambridge, pp. 1-52. ISBN 9781788017596 doi: https://doi.org/10.1039/9781788019590

de Mello, Lucas R., Carrascosa, Vinicius, Rebelato, Eduardo, Juliano, Maria A., Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926, Castelletto, Valeria ORCID: https://orcid.org/0000-0002-3705-0162, Vassiliades, Sandra V. ORCID: https://orcid.org/0000-0002-4328-9284, Alves, Wendel A. ORCID: https://orcid.org/0000-0002-8394-2751, Nakaie, Clovis R. and da Silva, Emerson R. ORCID: https://orcid.org/0000-0001-5876-2276 (2022) Nanostructure formation and cell spheroid morphogenesis of a peptide supramolecular hydrogel. Langmuir, 38 (11). pp. 3434-3445. ISSN 0743-7463 doi: https://doi.org/10.1021/acs.langmuir.1c03215

2021

Aljuaid, Nada, Tully, Mark, Seitsonen, Jani, Ruokolainen, Janne and Hamley, Ian 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, Fabio and Colquhoun, Howard 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, Jasraj Singh (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, Tahkur, Warriner, Colin, Bazin, Nicholas, Hayes, Wayne and Greenland, Barny (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, Irene, Pena-Alvarez, Miriiam, Wang, Deliang, Peres Guardiola, Andres, Vida, Yolanda, Rodriguez Gonzalez, Sandra, Lopez Navarette, Juan T., Hernadez Jolin, Victor, Sancho Garcia, Juan C., Garcia Baonza, Valentin, Nash, Rosie, Hartl, Frantisek, Li, Hongxiang and Ruiz Delgado, M. Carmen (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, Jethro, Shankland, Kenneth, Murray, Claire A. and Vaqueiro, Paz 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, Hannah, Almond, Matthew J., Hayes, Wayne, Browne, Cormac and McRobbie, Stuart (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, Stefan, Grover, Shivani, Butler, Keith T., Bostrom, Hanna L. B., Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 and Kieslich, Gregor (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, Samuel (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, Yunhe, Chippindale, Ann M, Curry, Richard J and Vaqueiro, Paz 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, Ivan, Estelle, Patrice, Sani, Elisa, Mercatelli, Luca, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719, Zorrilla, David and Navas, Javier (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, Ivan, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719, Zorrilla, David and Navas, Javier (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, Valeria, Seitsonen, Jani, Ruokolainen, Janne and Hamley, Ian 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, Valeria ORCID: https://orcid.org/0000-0002-3705-0162, Seitsonen, Jani, Ruokolainen, Janne, Barnett, Sarah A., Sandu, Callum and Hamley, Ian 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, Huanming, Hart, Lewis R., Hayes, Wayne and Siviour, Clive 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, Philippa ORCID: https://orcid.org/0000-0001-7156-5576, Li, Daguo, Page, Elizabeth, Whiteside, Karin and Woodcock, Aaron (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, Doris and Heron, Marion (eds.) Meaningful Teaching Interaction at the Internationalised University Moving From Research to Impact. Routledge, London, 234. ISBN 9780367350888

Cranwell, Philippa ORCID: https://orcid.org/0000-0001-7156-5576, Li, Daguo, Whiteside, Karin, Woodcock, Aaron and Page, Elizabeth (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, Charlotte Jennifer Chante ORCID: https://orcid.org/0000-0001-7757-107X, Khunti, Nikul, Hamley, Ian W ORCID: https://orcid.org/0000-0002-4549-0926, Inoue, Katsuaki ORCID: https://orcid.org/0000-0003-1172-6395, Cowieson, Nathan ORCID: https://orcid.org/0000-0002-0811-6169 and Rambo, Robert (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, Alexander G., Leroux, Flavien, Khurana, Gurjeet S., Lewis, Viliyana G., Chippindale, Ann M., Sambrook, Mark R., Hayes, Wayne and Russell, Andrew 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, Jessica, Babra, Tahkur, Afsar, Ashfaq, Kyriacou, Andrew, Thompson, Martin, Harries, Josephine, Colquhoun, Howard and Hayes, Wayne (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, Jessica, Leroux, Flavien, Reynolds, Stuart, Philpott, Julian, Cranwell, Philippa B. ORCID: https://orcid.org/0000-0001-7156-5576, Harries, Josephine L., Hayes, Wayne and Colquhoun, Howard 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, Ian 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, Ian 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, Ian 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, Daniel, Hart, Lewis, Harris, Peter J., Slark, Andrew T., Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 and Hayes, Wayne (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, Clare L., Filip, Sorin V., Afsar, Ashfaq, Colquhoun, Howard M. and Hayes, Wayne (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, Zoe, Cai, Yunhe and Vaqueiro, Paz 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, Marcus and Colquhoun, Howard 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, Alexander Ian (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, Alexander ORCID: https://orcid.org/0000-0001-8676-4172, Seymour, Jake ORCID: https://orcid.org/0000-0002-1217-9541, Quevedo Garzon, Wilson, Roy, Kanak ORCID: https://orcid.org/0000-0003-0802-7710, Venturini, Federica, Grinter, David C. ORCID: https://orcid.org/0000-0001-6089-119X, Artiglia, Luca ORCID: https://orcid.org/0000-0003-4683-6447, Brooke, Emily, de Gutierrez, Martha Briceno, Raj, Agnes, Lovelock, Kevin R. J. ORCID: https://orcid.org/0000-0003-1431-269X, Bennett, Roger A. ORCID: https://orcid.org/0000-0001-6266-3510, Eralp-Erden, Tugce and Held, Georg 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, Sarah and Vaqueiro, Paz 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, Anna ORCID: https://orcid.org/0000-0002-7854-5823, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926, Hermida-Merino, Daniel ORCID: https://orcid.org/0000-0002-8181-158X, Auriemma, Finizia and De Rosa, Claudio 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, Panagiotis, Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262, Smith, Ronald I. and Powell, Anthony 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, Scott 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, Scott D., Di Tommaso, Devis ORCID: https://orcid.org/0000-0002-4485-4468, Fleitmann, Dominik and Grau-Crespo, Ricardo 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, Scott D., Hamad, Said, Butler, Keith T. and Grau-Crespo, Ricardo 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, Saeed D., Davis, Fred J., Badiee, Amir, Hadley, Paul, Twitchen, Carrie-Anne, Pearson, Simon and Gargan, Ken (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, Diana K. ORCID: https://orcid.org/0000-0001-9511-063X and Harwood, Laurence 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, Benjamin, Wang, Qian, Butler, Keith T, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719, Selim, Shababa, Regoutz, Anna, Hisatomi, Takashi, Godin, Robert, Payne, David J, Katizas, Andreas G, Domen, Kazunari, Steir, Ludmilla and Durrant, James 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, Adam, Gavriel, Alex, Christie, William, Chippindale, Ann, German, Ian and Hayes, Wayne (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, Cristian, Hale, Oliver J., Reynolds, Christopher K. ORCID: https://orcid.org/0000-0002-4152-1190, Jones, A. K., Taylor, Nick, Morris, Michael and Cramer, Rainer 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, Phillip ORCID: https://orcid.org/0000-0003-2842-7607 and Harwood, Laurence 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, Victor Hugo (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, Victor, Pandya, Dimpy, Aziz, Alex, Rivera, Miguel, Crespo-Otero, Rachel, Hamad, Said and Grau-Crespo, Ricardo 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, Anthony (2021) High-performance sulfide thermoelectric materials. In: Funahashi, Ryoji, Chen, Lidong, Guilmeau, Emmanuel, Li, Qiang, Min, Gao and Miyazaki, Yuzuru (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, Mauricio 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, Abubakar (2021) Studies toward the synthesis of stemodinone. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00099324

Seymour, Jake M. ORCID: https://orcid.org/0000-0002-1217-9541, Gousseva, Ekaterina, Large, Alexander I. ORCID: https://orcid.org/0000-0001-8676-4172, Clarke, Coby J. ORCID: https://orcid.org/0000-0003-2698-3490, Licence, Peter ORCID: https://orcid.org/0000-0003-2992-0153, Fogarty, Richard M. ORCID: https://orcid.org/0000-0002-2617-4207, Duncan, David A. ORCID: https://orcid.org/0000-0002-0827-2022, Ferrer, Pilar ORCID: https://orcid.org/0000-0001-9807-7679, Venturini, Federica, Bennett, Roger A. ORCID: https://orcid.org/0000-0001-6266-3510, Palgrave, Robert G. ORCID: https://orcid.org/0000-0003-4522-2486 and Lovelock, Kevin 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, Subarna, Kulbachinskii, V. A., Kytin, V. G., Apreleva, A.S., Voneshen, D. J., Guidi, T., Powell, Anthony V., Chatterjee, S., Deb, A. K., Bandyopadhyay, S. and Benerjee, Aritra (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, Alex J., Wen, Bo, Ontaneda, Jorge, Zhang, Yu, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719, Fielding, Helen H., Selloni, Annabella and Thornton, Geoff (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, James O., Culpeck, Ryan, Chippindale, Ann M., Calhorda, Maria J. and Hartl, Frantisek (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, James O., Pizl, Martin, Kloz, Miroslav, Rebarz, Mateuzs, McCuster, Catherine E., McCuster, James K., Zalis, Stanislav, Hartl, Frantisek and Vlcek, Antonin (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, Mehdi, Chippindale, Ann M., Kouzeli, Aynaz and Irannejad, Hamid (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, Maged, Aggett, Peter, Aguilar, Fernando, Crebelli, Riccardo, Dusemund, Birgit, Filipič, Metka, Frutos, Maria Jose, Galtier, Pierre, Gundert-Remy, Ursula, Kuhnle, Gunter G. ORCID: https://orcid.org/0000-0002-8081-8931, Lambré, Claude, Leblanc, Jean-Charles, Lillegaard, Inger Therese, Moldeus, Peter, Mortensen, Alicja, Oskarsson, Agneta, Stankovic, Ivan, Waalkens-Berendsen, Ine, Woutersen, Rudolf Antonius, Wright, Matthew, Di Domenico, Alessandro, Fairweather‐Tait, Susan, McArdle, Harry J, Smeraldi, Camilla and Gott, David (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, Qiang and Hartl, Frantisek (2021) Low-Temperature UV-Vis-NIR and IR Spectroelectrochemical Techniques in Coordination Chemistry. In: Constable, Edwin C., Parkin, Gerard and Que, Lawrence (eds.) Comprehensive Coordination Chemistry III. Elsevier, pp. 94-118. ISBN 9780081026892 doi: https://doi.org/10.1016/B978-0-08-102688-5.00027-1

2020

Afsar, Ashfaq, Babra, Jasraj S., Distler, Petr, Harwood, Laurence M., Hopkins, Iain, John, Jan, Westwood, James and Selfe, Zoe Y. (2020) Extraction properties of 4-Tetra(hydroxyphenyl)BTPhen in liquid-liquid extraction systems with Cyclohexanone/Octanol or in a solid-phase extraction system. Heterocycles, 101 (1). pp. 209-222. ISSN 1881-0942 doi: https://doi.org/10.3987/COM-19-S(F)14

Akbar, Samina, Elliott, Joanne M., Squires, Adam M. and Anwar, Aneela (2020) Optimum conditions for electrochemical deposition of 3-D mesoporous platinum framework. Journal of Nanoparticle Research, 22 (6). 170. ISSN 1388-0764 doi: https://doi.org/10.1007/s11051-020-04912-9

Amphlett, J. T. M., Pepper, S. E., Riley, A. L., Harwood, L. M., Cowell, J., Whittle, K. R., Lee, T. S. and Ogden, M. D. (2020) Impact of copper(II) on activation product removal from reactor decommissioning effluents in South Korea. Journal of Industrial and Engineering Chemistry, 82. pp. 261-268. ISSN 1226086X doi: https://doi.org/10.1016/j.jiec.2019.10.022

Baptista, Frederico R., Devereux, Stephen J., Gurung, Sarah P., Hall, James P., Sazanovich, Igor V., Towrie, Michael, Cardin, Christine J., Brazier, John A., Kelly, John M. and Quinn, Susan J. (2020) The influence of loops on the binding of the [Ru(phen)2dppz]2+ light-switch compound to i-motif DNA structures revealed by time-resolved spectroscopy. Chemical Communications, 56 (67). pp. 9703-9706. ISSN 1359-7345 doi: https://doi.org/10.1039/D0CC03702H

Biswal, Debanjana ORCID: https://orcid.org/0000-0001-5367-3178, Roy, Malini, Pramanik, Nikhil Ranjan, Paul, Suvendu ORCID: https://orcid.org/0000-0001-9544-0102, Drew, Michael G. B. and Chakrabarti, Syamal ORCID: https://orcid.org/0000-0002-8576-5680 (2020) The vital role of ditopic N–N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies. New Journal of Chemistry, 38. ISSN 1369-9261 doi: https://doi.org/10.1039/d0nj03702h

Bowker, Michael, Klink, Björn Udo, Lass, Kristian and Bennett, Roger A. (2020) A simple angle-resolved thermal molecular beam reactor: applied to CO oxidation on Pt{110}. Catalysts, 10 (11). 1229. ISSN 2073-4344 doi: https://doi.org/10.3390/catal10111229

Brown, Jeffery M. (2020) Instrumental Development of an Atmospheric Pressure Liquid UV-MALDI Mass Spectrometer Source and Interface for the Analysis of Multiply Protonated Peptide Ions. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00104990

Canner, Adam J., Harwood, Laurence M., Cowell, Joseph, Babra, Jasraj S., Brown, Solomon F. and Ogden, Mark D. (2020) Spectrophotometric analysis of ternary uranyl systems to replace tri-N-butyl phosphate (TBP) in used fuel reprocessing. Journal of Solution Chemistry, 49 (1). pp. 52-67. ISSN 0095-9782 doi: https://doi.org/10.1007/s10953-019-00942-7

Castelletto, Valeria, Edwards-Gayle, Charlotte J. C., Hamley, Ian W., Barrett, Glyn, Seitsonen, Jani, Ruokolainen, Janne, de Mello, Lucas Rodrigues and da Silva, Emerson Rodrigo (2020) Model self-assembling arginine-based tripeptides show selective activity against Pseudomonas bacteria. Chemical Communications, 56. pp. 615-618. ISSN 1364-548X doi: https://doi.org/10.1039/c9cc07257h

Castelletto, Valeria, Seitsonen, Jani, Ruokolainen, Janne, Piras, Cristian, Cramer, Rainer, Edwards-Gayle, Charlotte J. C. and Hamley, Ian W. (2020) Peptide nanotubes self-assembled from leucine-rich alpha helical surfactant-like peptides. Chemical Communications, 56 (80). pp. 11977-11980. ISSN 1359-7345 doi: https://doi.org/10.1039/D0CC04299D

Castelletto, Valeria, Seitsonen, Jani, Tewari, Kunal M., Hasan, Abshar, Edkins, Robert M., Ruokolainen, Janne, Pandey, Lalit M., Hamley, Ian W. and Lau, King Hang Aaron (2020) Self-assembly of minimal peptoid sequences. ACS Macro Letters, 9 (4). pp. 494-499. ISSN 2161-1653 doi: https://doi.org/10.1021/acsmacrolett.9b01010

Cogo, Susanna, Manzoni, Claudia, Lewis, Patrick A. and Greggio, Elisa (2020) Leucine‐rich repeat kinase 2 and lysosomal dyshomeostasis in Parkinson disease. Journal of Neurochemistry, 152 (3). pp. 273-283. ISSN 1471-4159 doi: https://doi.org/10.1111/jnc.14908

Cramer, Rainer (2020) High-speed analysis of large sample sets – how can this key aspect of the omics be achieved? Molecular and Cellular Proteomics, 19 (11). pp. 1760-1766. ISSN 1535-9484 doi: https://doi.org/10.1074/mcp.P120.001997

Cranwell, Philippa B ORCID: https://orcid.org/0000-0001-7156-5576 (2020) Recent advances towards the inclusion of flow chemistry within the undergraduate practical class curriculum. SynOpen, 04 (04). pp. 96-98. ISSN 2509-9396 doi: https://doi.org/10.1055/s-0040-1719539

Cranwell, Philippa B. and Page, Elizabeth M. (2020) Assessing final-year practical work through group projects; A further study. New Directions in the Teaching of Physical Sciences, 15 (1). ISSN 2051-3615 doi: https://doi.org/10.29311/ndtps.v0i15.3251

Cranwell, Philippa B. and Whiteside, Karin L. (2020) Investigation into the semantic density and semantic gravity wave profile of teachers when discussing electrophilic aromatic substitution (SEAr). Journal of Chemical Education, 97 (10). pp. 3540-3550. ISSN 0021-9584 doi: https://doi.org/10.1021/acs.jchemed.0c00571

Distler, Petr, Mindová, Miriam, John, Jan, Babain, Vasilij A., Alyapyshev, Mikhail Yu., Tkachenko, Lyudmila I., Kenf, Ekaterina V., Harwood, Laurence M. and Afsar, Ashfaq (2020) Fluorinated carbonates as new diluents for extraction and separation of f-block elements. Solvent Extraction and Ion Exchange, 38 (2). pp. 180-193. ISSN 1532-2262 doi: https://doi.org/10.1080/07366299.2019.1708004

Distler, Petr, Stamberg, Karel, John, Jan, Harwood, Laurence M. and Lewis, Frank W. (2020) Thermodynamic parameters of Am(III), Cm(III) and Eu(III) extraction by CyMe4-BTPhen in cyclohexanone from HNO3 solutions. Journal of Chemical Thermodynamics, 141. 105955. ISSN 0021-9614 doi: https://doi.org/10.1016/j.jct.2019.105955

Edwards-Gayle, Charlotte (2020) Self-Assembly and Bioactivity of Peptides for Therapeutic Applications. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00101662

Edwards-Gayle, Charlotte J. C., Barrett, Glyn, Roy, Shyamali, Castelletto, Valeria, Seitsonen, Jani, Ruokolainen, Janne and Hamley, Ian W. (2020) Selective antibacterial activity and lipid membrane interactions of arginine-rich amphiphilic peptides. ACS Applied Bio Materials, 3 (2). pp. 1165-1175. ISSN 2576-6422 doi: https://doi.org/10.1021/acsabm.9b00894

Fountain, Michelle T, Badiee, Amir, Hemer, Sebastian, Delgado, Alvaro, Mangan, Michael, Dowding, Colin, Davis, Fred and Pearson, Simon (2020) The use of light spectrum blocking films to reduce populations of Drosophila suzukii Matsumura in fruit crops. Scientific Reports, 10. 15358. ISSN 2045-2322 doi: https://doi.org/10.1038/s41598-020-72074-8

Freer, Robert and Powell, Anthony V. (2020) Realising the potential of thermoelectric technology: a roadmap. Journal of Materials Chemistry C, 8 (2). pp. 441-463. ISSN 2050-7526 doi: https://doi.org/10.1039/C9TC05710B

Gayen, Kousik, Nandi, Nibedita, Das, Krishna Sundar, Hermida-Merino, Daniel, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 and Banerjee, Arindam ORCID: https://orcid.org/0000-0002-1309-921X (2020) The aging effect on the enhancement of thermal stability, mechanical stiffness and fluorescence properties of histidine-appended naphthalenediimide based two-component hydrogels. Soft Matter, 16 (44). pp. 10106-10114. ISSN 1744-683X doi: https://doi.org/10.1039/D0SM00468E

Gerbelli, Barbara B. ORCID: https://orcid.org/0000-0001-9300-8463, Oliveira, Cristiano L. P. ORCID: https://orcid.org/0000-0002-3426-6507, Silva, Emerson R. ORCID: https://orcid.org/0000-0001-5876-2276, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 and Alves, Wendel A. ORCID: https://orcid.org/0000-0002-8394-2751 (2020) Amyloid formation by short peptides in the presence of dipalmitoylphosphatidylcholine membranes. Langmuir, 36 (48). pp. 14793-14801. ISSN 0743-7463 doi: https://doi.org/10.1021/acs.langmuir.0c02760

Godleman, Jessica (2020) The Synthesis of Novel Polymeric Materials for Application in Inkjet Printing. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00095643

Gugliandolo, Enrico ORCID: https://orcid.org/0000-0001-6840-3154, Peritore, Alessio Filippo ORCID: https://orcid.org/0000-0001-8545-990X, Piras, Cristian ORCID: https://orcid.org/0000-0002-6109-0834, Cuzzocrea, Salvatore ORCID: https://orcid.org/0000-0001-6131-3690 and Crupi, Rosalia ORCID: https://orcid.org/0000-0002-7629-3132 (2020) Palmitoylethanolamide and related ALIAmides: prohomeostatic pipid compounds for animal health and wellbeing. Veterinary Sciences, 7 (2). 78. ISSN 2306-7381 doi: https://doi.org/10.3390/vetsci7020078

Gwon, Young Jin, Lee, Jeong Jun, Lee, Kune-Woo, Ogden, Mark D., Harwood, Laurence M. and Lee, Taek Seung (2020) Prussian blue decoration on polyacrylonitrile nanofibers using polydopamine for effective Cs ion removal. Industrial & Engineering Chemistry Research, 59 (11). pp. 4872-4880. ISSN 0888-5885 doi: https://doi.org/10.1021/acs.iecr.9b06639

Hale, Oliver J., Ryumin, Pavel, Brown, Jeffery M., Morris, Michael and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2020) Production and analysis of multiply charged negative ions by liquid atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometry. Rapid Communications in Mass Spectrometry, 35 (S1). ISSN 1097-0231 doi: https://doi.org/10.1002/rcm.8246

Hamley, Ian W ORCID: https://orcid.org/0000-0002-4549-0926 (2020) Introduction to Peptide Science. John Wiley and Sons. ISBN 9781119698173

Hamley, Ian W ORCID: https://orcid.org/0000-0002-4549-0926 and Castelletto, Valeria (2020) Characterization of peptides and their assemblies. In: Guler, M O (ed.) Peptide-based Biomaterials. Royal Society of Chemistry, pp. 19-46. ISBN 9781788017299 doi: https://doi.org/10.1039/9781839161148-00019

Harris, Peter J. F. (2020) Nanotubes with horns: a clue to the growth mechanism? Fullerenes, Nanotubes and Carbon Nanostructures, 28 (7). pp. 541-544. ISSN 1536-4046 doi: https://doi.org/10.1080/1536383X.2020.1718110

Harris, Peter J. F. (2020) Structural transformation of graphite by passage of electric current. Fullerenes, Nanotubes and Carbon Nanostructures, 28 (1). pp. 66-70. ISSN 1536-4046 doi: https://doi.org/10.1080/1536383x.2019.1671368

Hart, Lewis R., He, Yingfeng, Ruiz-Cantu, Laura, Zhou, Zuoxin, Irvine, Derek, Wildman, RIcky and Hayes, Wayne (2020) 3D and 4D Printing of biomaterials and biocomposites, bioinspired composites and related transformers. In: Sadasivuni, Kishor Kumar, Deshmukh, Kalim and Almaadeed, Mariam Alali (eds.) 3D and 4D Printing of Polymer Nanocomposite Materials: Processes, Applications, and Challenges. Elsevier, pp. 467-504. doi: https://doi.org/10.1016/B978-0-12-816805-9.00015-6

Hartl, Frantisek and Taylor, James O. (2020) Strong impact of intramolecular hydrogen bonding on the cathodic path of [Re(CO)3(3,3’-dihydroxy-2,2’-bipyridine)Cl] and catalytic reduction of carbon dioxide. Inorganic Chemistry, 59 (8). pp. 5564-5578. ISSN 0020-1669 doi: https://doi.org/10.1021/acs.inorgchem.0c00263

Hartl, Frantisek, Hu, Yu Xuan, Zhang, Jing, Zhang, Fangfang, Wang, Xiaoyan, Jun, Yin and Liu, Sheng Hua (2020) Electronic properties of oxidized cyclometalated diiridium complexes: spin delocalization controlled by the mutual position of the iridium centres. Chemistry- A European Journal, 26 (20). pp. 4567-4575. ISSN 1521-3765 doi: https://doi.org/10.1002/chem.201904894

Hartl, Frantisek, Taylor, James Oliver and Wang, Yibo (2020) Photo-assisted electrocatalytic reduction of CO2: A new strategy for reducing catalytic overpotentials. ChemCatChem, 12 (1). pp. 386-393. ISSN 1867-3899 doi: https://doi.org/10.1002/cctc.201901887

Hasan, Abshar, Saxena, Varun, Castelletto, Valeria, Zimbitas, Georgina, Seitsonen, Jani, Ruokolainen, Janne, Pandey, Lalit M., Sefcik, Jan, Hamley, Ian W. and Lau, King Hang Aaron (2020) Chain-end modifications and sequence arrangements of antimicrobial peptoids for mediating activity and nano-assembly. Frontiers in Chemistry, 8. 416. ISSN 2296-2646 doi: https://doi.org/10.3389/fchem.2020.00416

Held, Georg, Venturini, Federica, Grinter, David C. ORCID: https://orcid.org/0000-0001-6089-119X, Ferrer, Pilar, Arrigo, Rosa, Deacon, Liam, Quevedo Garzon, Wilson, Roy, Kanak, Large, Alex, Stephens, Christopher, Watts, Andrew, Larkin, Paul, Hand, Matthew, Wang, Hongchang, Pratt, Linda, Mudd, James J., Richardson, Thomas ORCID: https://orcid.org/0000-0002-3886-9006, Patel, Suren, Hillman, Michael and Scott, Stewart (2020) Ambient-pressure endstation of the Versatile Soft X-ray (VerSoX) beamline at Diamond Light Source. Journal of Synchrotron Radiation, 27 (5). pp. 1153-1166. ISSN 0909-0495 doi: https://doi.org/10.1107/S1600577520009157

Higgins, Clare L., Filip, Sorin V., Afsar, Ashfaq and Hayes, Wayne (2020) Synthesis, characterisation, and performance evaluation of tri-armed phenolic antioxidants. Tetrahedron Letters, 61 (28). 152127. ISSN 0040-4039 doi: https://doi.org/10.1016/j.tetlet.2020.152127

Hopkins, Iain (2020) Development of selective ligands for the removal of Caesium, Strontium and corrosion products for nuclear waste reprocessing. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00089369

Kahk, Juhan Matthias, Kuusik, Ivar, Kisand, Vambola, Lovelock, Kevin R.J. and Lischner, Johannes (2020) Frontier orbitals and quasiparticle energy levels in ionic liquids. npj Computational Materials, 6 (1). 148. ISSN 2057-3960 doi: https://doi.org/10.1038/s41524-020-00413-4

Ke, Pu Chun, Zhou, Ruhong, Serpell, Louise C., Riek, Roland, Knowles, Tuomas P. J., Lashuel, Hilal A., Gazit, Ehud, Hamley, Ian W., Davis, Thomas P., Fändrich, Marcus, Otzen, Daniel Erik, Chapman, Matthew R., Dobson, Christopher M., Eisenberg, David S. and Mezzenga, Raffaele (2020) Half a century of amyloids: past, present and future. Chemical Society Reviews, 49 (15). pp. 5473-5509. ISSN 0306-0012 doi: https://doi.org/10.1039/C9CS00199A

Keane, Páraic M. ORCID: https://orcid.org/0000-0003-2828-8512, O'Sullivan, Kyra, Poynton, Fergus E., Poulsen, Bjørn C., Sazanovich, Igor V., Towrie, Michael, Cardin, Christine J., Sun, Xue-Zhong, George, Michael W. ORCID: https://orcid.org/0000-0002-7844-1696, Gunnlaugsson, Thorfinnur ORCID: https://orcid.org/0000-0003-4814-6853, Quinn, Susan J. ORCID: https://orcid.org/0000-0002-7773-8842 and Kelly, John M. ORCID: https://orcid.org/0000-0002-3706-1777 (2020) Understanding the factors controlling the photo-oxidation of natural DNA by enantiomerically pure intercalating ruthenium polypyridyl complexes through TA/TRIR studies with polydeoxynucleotides and mixed sequence oligodeoxynucleotides. Chemical Science, 11 (32). pp. 8600-8609. ISSN 2041-6539 doi: https://doi.org/10.1039/d0sc02413a

Knappert, Marcus (2020) Supramolecular chemistry of poly(ester imide)s. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00097079

Knappert, Marcus, Jin, Tianqi, Midgley, Scott D., Wu, Guanglu, Scherman, Oren, Grau-Crespo, Ricardo ORCID: https://orcid.org/0000-0001-8845-1719 and Colquhoun, Howard M. (2020) Single-site binding of pyrene to poly(ester-imide)s incorporating long spacer-units: prediction of NMR resonance-patterns from a fractal model. Chemical Science, 11 (44). pp. 12165-12177. ISSN 1478-6524 doi: https://doi.org/10.1039/d0sc03730c

Krenkel, Henriette, Hartmane, Evita, Piras, Cristian, Brown, Jeffery, Morris, Michael and Cramer, Rainer (2020) Advancing liquid atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometry toward ultra-high-throughput analysis. Analytical Chemistry, 92 (4). pp. 2931-2936. ISSN 0003-2700 doi: https://doi.org/10.1021/acs.analchem.9b05202

Long, Sebastian O, Powell, Anthony, Hull, Stephen, Orlandi, Fabio, Tang, Chiu C, Supka, Andrew R, Fornari, Marco and Vaqueiro, Paz (2020) Jahn-Teller driven electronic instability in thermoelectric tetrahedrite. Advanced Functional Materials, 30 (12). 1909409. ISSN 1616-3028 doi: https://doi.org/10.1002/adfm.201909409

Luu, Son D. N., Supka, Andrew R., Nguyen, Van Huy, Vo, Dai-Viet, Hung, Nguyen, Wojciechowski, Krzysztof T., Fornari, Marco and Vaqueiro, Paz ORCID: https://orcid.org/0000-0001-7545-6262 (2020) Origin of low thermal conductivity in In4Se3. ACS Applied Energy Materials, 3 (12). pp. 12549-12556. ISSN 2574-0962 doi: https://doi.org/10.1021/acsaem.0c02489

Mahapatra, Prithwish, Drew, Michael G. B. and Ghosh, Ashutosh (2020) Tri- and hexa-nuclear NiII–MnII complexes of a N2O2 donor unsymmetrical ligand: synthesis, structures, magnetic properties and catalytic oxidase activities. Dalton Transactions, 49 (10). pp. 3372-3374. ISSN 1520-510X doi: https://doi.org/10.1039/C8DT02962H

Mangelis, Panagiotis, Vaqueiro, Paz and Powell, Anthony V. (2020) Improved thermoelectric performance through double substitution in shandite-type mixed-metal sulphides. ACS Applied Energy Materials, 3 (3). pp. 2168-2174. ISSN 2574-0962 doi: https://doi.org/10.1021/acsaem.9b02272

MartÍnez-Merino, Paloma, Midgley, Scott D, MartÍn, Elisa I, EstellÍ, Patrice, Alcántara, Rodrigo, Sánchez-Coronilla, Antonio, Grau-Crespo, Ricardo and Navas, Javier (2020) Novel WS2-based nanofluids for concentrating solar power: performance characterization and molecular-level insights. ACS Applied Materials & Interfaces, 12 (5). pp. 5793-5804. ISSN 1944-8244 doi: https://doi.org/10.1021/acsami.9b18868

McQuaid, Kane Thomas and Cardin, Christine Janet (2020) The eyes have it: using X-ray crystallography to determine the binding modes of medically relevant ruthenium/DNA complexes. In: Advances in Inorganic Chemistry. Elsevier, pp. 393-424. doi: https://doi.org/10.1016/bs.adioch.2019.10.010

Mello, Lucas R., Aguiar, Rodrigo B., Yamada, Renata Y., Moraes, Jane Z., Hamley, Ian W., Alves, Wendel A., Reza, Mehedi, Ruokolainen, Janne and Silva, Emerson R. (2020) Amphipathic design dictates self-assembly, cytotoxicity and cell uptake of arginine-rich surfactant-like peptides. Journal of Materials Chemistry B, 8 (12). pp. 2495-2507. ISSN 0959-9428 doi: https://doi.org/10.1039/c9tb02219h

Mello, Lucas R., Hamley, Ian W., Castelletto, Valeria, Garcia, Bianca B. M., Lourenço, Thiago C., Vassiliades, Sandra V., Alves, Wendel A., Han, Sang W. and Silva, Emerson R. (2020) Self-assembly and intracellular delivery of DNA by a truncated fragment derived from the Trojan peptide Penetratin. Soft Matter, 16 (20). pp. 4746-4755. ISSN 1744-683X doi: https://doi.org/10.1039/D0SM00347F

Midgley, Scott D., Taylor, James O., Fleitmann, Dominik and Grau-Crespo, Ricardo (2020) Molybdenum and sulfur incorporation as oxyanion substitutional impurities in calcium carbonate minerals: a computational investigation. Chemical Geology, 553. 119796. ISSN 0009-2541 doi: https://doi.org/10.1016/j.chemgeo.2020.119796

Mondal, Biplab, Bairagi, Dipayan, Nandi, Nibedita, Hansda, Biswanath, Das, Krishna Sundar, Edwards-Gayle, Charlotte J C ORCID: https://orcid.org/0000-0001-7757-107X, Castelletto, Valeria ORCID: https://orcid.org/0000-0002-3705-0162, Hamley, Ian W. ORCID: https://orcid.org/0000-0002-4549-0926 and Banerjee, Arindam ORCID: https://orcid.org/0000-0002-1309-921X (2020) Peptide-based gel in environmental remediation: removal of toxic organic dyes and hazardous Pb2+ and Cd2+ ions from wastewater and oil spill recovery. Langmuir, 36 (43). pp. 12942-12953. ISSN 0743-7463 doi: https://doi.org/10.1021/acs.langmuir.0c02205

Murtaza, Sana Z. M. and Vaqueiro, Paz (2020) Rapid synthesis of chalcohalides by ball milling: preparation and characterisation of BiSI and BiSeI. Journal of Solid State Chemistry, 291. 121625. ISSN 0022-4596 doi: https://doi.org/10.1016/j.jssc.2020.121625

Pelin, Juliane N. B. D., Edwards-Gayle, Charlotte J. C., Aguilar, Andrea M., Kaur, Amanpreet, Hamley, Ian W. and Alves, Wendel Andrade (2020) Polymorphism of asymmetric catalysts based on amphiphilic lipopeptides in solution. Soft Matter, 16 (19). pp. 4615-4624. ISSN 1744-683X doi: https://doi.org/10.1039/D0SM00245C

Pelin, Juliane N. B. D., Edwards-Gayle, Charlotte J. C., Martinho, Herculano, Gerbelli, Barbara B., Castelletto, Valeria, Hamley, Ian W. and Alves, Wendel A. (2020) Self-assembled gold nanoparticles and amphiphile peptides: a colorimetric probe for copper(ii) ion detection. Dalton Transactions, 45. pp. 16226-16237. ISSN 1364-5447 doi: https://doi.org/10.1039/D0DT00844C

Pelin, Juliane N. B. D., Edwards-Gayle, Charlotte J. C., Castelletto, Valeria, Aguilar, Andrea M., Alves, Wendel A., Seitsonen, Jani, Ruokolainen, Janne and Hamley, Ian W. (2020) Self-assembly, nematic phase formation and organocatalytic behaviour of a proline-functionalized lipopeptide. ACS Applied Materials & Interfaces, 12 (12). pp. 13671-13679. ISSN 1944-8252 doi: https://doi.org/10.1021/acsami.0c00686

Pelin, Juliane, Gerbelli, Barbara, Edwards-Gayle, Charlotte J. C., Aguilar, Andrea, Castelletto, Valeria, Hamley, Ian W. and Alves, Wendel Andrade (2020) Amyloid peptide mixtures: self-assembly, hydrogelation, nematic ordering and catalysts in aldol reactions. Langmuir, 36 (11). pp. 2767-2774. ISSN 1520-5827 doi: https://doi.org/10.1021/acs.langmuir.0c00198

Piras, Cristian, Ceniti, Carlotta, Hartmane, Evita, Costanzo, Nicola, Morittu, Valeria Maria, Roncada, Paola, Britti, Domenico and Cramer, Rainer (2020) Rapid liquid AP-MALDI MS profiling of lipids and proteins from goat and sheep milk for speciation and colostrum analysis. Proteomes, 8 (3). 20. ISSN 2227-7382 doi: https://doi.org/10.3390/proteomes8030020

Piras, Cristian, Greco, Viviana, Gugliandolo, Enrico, Soggiu, Alessio, Tilocca, Bruno, Bonizzi, Luigi, Zecconi, Alfonso, Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511, Britti, Domenico, Urbani, Andrea and Roncada, Paola (2020) Raw cow milk bacterial consortium as bioindicator of circulating anti-microbial resistance (AMR). Animal Feed Science and Technology, 10 (12). 2378. ISSN 0377-8401 doi: https://doi.org/10.3390/ani10122378

Posligua, Victor, Bustamante, Joana, Zambrano, Cesar H., Harris, Peter J. F. and Grau-Crespo, Ricardo (2020) The closed-edge structure of graphite and the effect of electrostatic charging. RSC Advances, 10 (13). pp. 7994-8001. ISSN 2046-2069 doi: https://doi.org/10.1039/c9ra09913a

Quevedo, Wilson, Ontaneda, Jorgee, Large, Alexander, Seymour, Jake M., Bennett, Roger Alexander, Grau-Crespo, Ricardo and Held, Georg (2020) Adsorption of aspartic acid on Ni{100}: a combined experimental and theoretical study. Langmuir, 36 (32). pp. 9399-9411. ISSN 0743-7463 doi: https://doi.org/10.1021/acs.langmuir.0c01175

Radvar, Elham, Shi, Yejiao, Grasso, Salvatore, Edwards-Gayle, Charlotte J. C., Liu, Xitong, Mauter, Meagan S., Castelletto, Valeria, Hamley, Ian W., Reece, Michael J. and Azevedo, Helena S. (2020) Magnetic field-induced alignment of nanofibrous supramolecular membranes: a molecular design approach to create tissue-like biomaterials. ACS Applied Materials & Interfaces, 12 (20). pp. 22661-22672. ISSN 1944-8244 doi: https://doi.org/10.1021/acsami.0c05191

Salimi, S., Wu, Y., Evangelista Barreiros, M. I., Natfji, A. A., Khaled, S., Wildman, R., Hart, L. R., Greco, F., Clark, E. A., Roberts, C. J. and Hayes, W. (2020) A 3D printed drug delivery implant formed from a dynamic supramolecular polyurethane formulation. Polymer Chemistry, 11 (20). pp. 3453-3464. ISSN 1759-9954 doi: https://doi.org/10.1039/D0PY00068J

Scollo, Emanuele, Neville, David C. A., Oruna-Concha, M. Jose, Trotin, Martine and Cramer, Rainer (2020) UHPLC-MS/MS analysis of cocoa bean proteomes from four different genotypes. Food Chemistry, 303. 125244. ISSN 0308-8146 doi: https://doi.org/10.1016/j.foodchem.2019.125244

Scollo, Emanuele, Neville, David C. A., Oruna-Concha, M. Jose, Trotin, Martine, Umaharan, Pathmanathan, Sukha, Darin, Kalloo, Rena and Cramer, Rainer (2020) Proteomic and peptidomic UHPLC-ESI MS/MS analysis of cocoa beans fermented using the Styrofoam-box method. Food Chemistry, 316. 126350. ISSN 0308-8146 doi: https://doi.org/10.1016/j.foodchem.2020.126350

Singh, Upindranath, Mohan, Saeed and Davis, Fred (2020) Selective Bragg reflection of visible light from coaxial electrospun fiber mats. Journal of Applied Polymer Science, 138 (2). 49647. ISSN 0021-8995 doi: https://doi.org/10.1002/app.49647

Taylor, James (2020) Mechanistic Spectro-electrochemistry of Group-6 and -7 Metal Carbonyl Electrocatalysts of CO2 Reduction. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00101002

Tilocca, Bruno, Costanzo, Nicola, Morittu, Valeria Maria, Spina, Anna Antonella, Soggiu, Alessio, Britti, Domenico, Roncada, Paola and Piras, Cristian (2020) Milk microbiota: characterization methods and role in cheese production. Journal of Proteomics, 210. 103534. ISSN 1874-3919 doi: https://doi.org/10.1016/j.jprot.2019.103534

Warsame, Ahmed O. ORCID: https://orcid.org/0000-0002-9281-0443, Michael, Nicholas, O'Sullivan, Donal M. ORCID: https://orcid.org/0000-0003-4889-056X and Tosi, Paola (2020) Identification and quantification of major faba bean seed proteins. Journal of Agricultural and Food Chemistry, 68 (32). pp. 8535-8544. ISSN 1520-5118 doi: https://doi.org/10.1021/acs.jafc.0c02927

Wei, Xuan, Sun, Qianting, Methven, Lisa and Elmore, Stephen (2020) Comparison of the sensory properties of fragrant and non-fragrant rice (Oryza sativa), focusing on the role of the popcorn-like aroma compound 2-acetyl-1-pyrroline. Food Chemistry, 339. 128077. ISSN 0308-8146 doi: https://doi.org/10.1016/j.foodchem.2020.128077

Wōden, Ben (2020) ATOMINRED: ATmospheric Oxidation of MIxed organic films on aqueous droplets studied by Neutron reflectometry and infra-RED reflection-absorption spectroscopy. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00102779

Wōden, Ben (2020) ATOMINRED: Atmospheric Oxidation of Mixed organic films on aqueous droplets studied by Neutron reflectometry and infra-RED reflectionabsorption spectroscopy. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00096396

2019

Acton, Aaron L., Leroux, Flavien, Feula, Antonio, Melia, Kelly, Sambrook, Mark R., Hayes, Wayne and Russell, Andrew T. (2019) Self-immolative systems for the disclosure of reactive electrophilic alkylating agents. Chemical Communications, 55. pp. 5219-5222. ISSN 1359-7345 doi: https://doi.org/10.1039/C8CC09728C

Afsar, Ashfaq, Distler, Petr, Harwood, Laurence, John, Jan, Babra, Jasraj S., Selfe, Zoe, Cowell, Joe and Westwood, James (2019) Separation of minor actinides from lanthanides using immobilized ligand systems: the role of the counterion. Heterocycles, 99 (2). pp. 825-833. ISSN 1881-0942 doi: https://doi.org/10.3987/COM-18-S(F)71

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Babra, Tahkur S., Wood, Matthew, Godleman, Jessica S., Salimi, Sara, Warriner, Colin, Bazin, Nicholas, Siviour, Clive R., Hamley, Ian W., Hayes, Wayne and Greenland, Barnaby W. (2019) Fluoride-responsive debond on demand adhesives: manipulating polymer crystallinity and hydrogen bonding to optimise adhesion strength at low bonding temperatures. European Polymer Journal, 119. pp. 260-271. ISSN 0014-3057 doi: https://doi.org/10.1016/j.eurpolymj.2019.07.038

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Castelletto, Valeria, Edwards-Gayle, Charlotte J. C., Hamley, Ian W., Barrett, Glyn, Seitsonen, Jani and Ruokolainen, Janne (2019) Peptide-stabilized emulsions and gels from an arginine-rich surfactant-like peptide with antimicrobial activity. ACS Applied Materials & Interfaces, 11 (10). pp. 9893-9903. ISSN 1944-8244 doi: https://doi.org/10.1021/acsami.9b00581

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McQuaid, Kane, Abell, Holly, Gurung, Sarah P., Allan, David R., Winter, Graeme, Sorensen, Thomas, Cardin, David J., Brazier, John A., Cardin, Christine J. and Hall, James P. (2019) Structural studies reveal the enantiospecific recognition of a DNA G-quadruplex by a ruthenium polypyridyl complex. Angewandte Chemie International Edition, 58 (29). pp. 9881-9885. ISSN 1433-7851 doi: https://doi.org/10.1002/anie.201814502

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Salimi, Sara, Babra, Tahkur Singh, Dines, Gerald, Baskerville, Stephen W., Hayes, Wayne and Greenland, Barny (2019) Composite polyurethane adhesives that debond-on-demand by hysteresis heating in an oscillating magnetic field. European Polymer Journal, 121. 109264. ISSN 0014-3057 doi: https://doi.org/10.1016/j.eurpolymj.2019.109264

Salimi, S., Hart, L. R., Feula, A., Hermida-Merino, D., Touré, A. B. R., Kabova, E. A., Ruiz-Cantu, L., Irvine, D. J., Wildman, R., Shankland, K. and Hayes, W. (2019) Property enhancement of healable supramolecular polyurethanes. European Polymer Journal, 118. pp. 88-96. ISSN 0014-3057 doi: https://doi.org/10.1016/j.eurpolymj.2019.05.042

Shenoy, Joel, Hart, Judy N., Grau-Crespo, Ricardo, Allan, Neil L. and Cazorla, Claudio (2019) Mixing thermodynamics and photocatalytic properties of GaP-ZnS solid solutions. Advanced Theory and Simulations, 2 (3). 1800146. ISSN 2513-0390 doi: https://doi.org/10.1002/adts.201800146

Siloi, Illaria, Gopal, Priya, Curtarolo, Stefano, Nardelli, Marco Buongiorno, Vaqueiro, Paz and Fornari, Marco (2019) Thermoelectric properties of minerals with the mawsonite structure. ACS Applied Energy Materials, 2019 (2). pp. 8068-8078. ISSN 2574-0962 doi: https://doi.org/10.1021/acsaem.9b01564

Singh, Upindranath, Mohan, Saeed, Davis, Frederick and Mitchell, Geoffrey (2019) Modifying the thermomechanical properties of electrospun fibres of poly‑vinyl cinnamate by photo‑cross‑linking. SN Applied Sciences. ISSN 2523-3971 doi: https://doi.org/10.1007/s42452-018-0033-8

Taylor, James O., Veenstra, Florentine L. P., Chippindale, Ann M., Calhorda, Maria Jose and Hartl, Frantisek (2019) Group 6 complexes as electrocatalysts of CO2 reduction: strong substituent control of the reduction path of [Mo(η3-allyl)(CO)2(x,x′- dimethyl-2,2′-bipyridine)(NCS)] (x = 4-6). Organometallics, 38 (6). pp. 1372-1390. ISSN 1520-6041 doi: https://doi.org/10.1021/acs.organomet.8b00676

Taylor, James O., Veenstra, Florentine L. P., Chippindale, Ann M., Calhorda, Maria José and Hartl, Frantisek (2019) Group 6 metal complexes as electrocatalysts of CO2 reduction: strong substituent control of the reduction path of [Mo(η3-allyl)(CO)2(x,x′-dimethyl-2,2′-bipyridine)(NCS)] (x = 4–6). Organometallics, 38 (6). pp. 1372-1390. ISSN 1520-6041 doi: https://doi.org/10.1021/acs.organomet.8b00676

Tsaousis, Panayiotis (2019) Ultrahigh-vacuum and ambient-pressure characterisation of nickel model catalysts for enantioselective hydrogenation reactions. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00084937

Yadav, Chote Lal, Rajput, Gunjan, Bisht, Kamal Kumar, Drew, Michael G. B. and Singh, Nanhai (2019) Spontaneous resolution upon crystallization and preferential induction of chirality in a discrete tetrahedral zinc(II) complex comprised of achiral precursors. Inorganic Chemistry, 58 (21). pp. 14449-14456. ISSN 1520-510X doi: https://doi.org/10.1021/acs.inorgchem.9b01934

d'Ambrumenil, Stella, Zbiri, Mohamed, Chippindale, Ann and Hibble, Simon (2019) Phonon dynamics in the layered negative thermal expansion compounds CuxNi2-x(CN)4. Physical Review B, 100 (9). 094312. ISSN 1098-0121 doi: https://doi.org/10.1103/PhysRevB.100.094312

d'Ambrumenil, Stella, Zbiri, Mohamed, Chippindale, Ann M., Hibble, Simon J., Marelli, Elena and Hannon, Alex C. (2019) Lattice dynamics and negative thermal expansion in the framework compound ZnNi(CN)4 with 2-D and 3-D local environments. Physical Review B, 99 (2-1). 024309. ISSN 1098-0121 doi: https://doi.org/10.1103/PhysRevB.99.024309

d'Ambrumenil, Stella, Zbiri, Mohamed, Hibble, Simon, Chippindale, Ann, Keeble, Dean S., Wright, Camille and Rees, Nicholas (2019) Anomalous thermal expansion in 1D transition-metal cyanides: what makes the novel trimetallic cyanide Cu1/3Ag1/3Au1/3CN behave differently? Physical Review B, 100. 174302. ISSN 1098-0121 doi: https://doi.org/10.1103/PhysRevB.100.174302

de Mello, Lucas Rodrigues, Hamley, Ian William, Castelletto, Valeria, Garcia, Bianca Bonetto Moreno, Han, Sang Won, de Oliveira, Cristiano Luis Pinto and da Silva, Emerson Rodrigo (2019) Nanoscopic structure of complexes formed between DNA and the cell-penetrating peptide penetratin. The Journal of Physical Chemistry B, 123 (42). pp. 8861-8871. ISSN 1520-5207 doi: https://doi.org/10.1021/acs.jpcb.9b05512

2018

Afsar, Ashfaq, Westwood, James, Distler, Petr, Harwood, Laurence M., Mohan, Saeed, John, Jan and Davis, Frederick J. (2018) Separation of Am(III) from Cm(III) and Eu(III) by electro-spun polystyrene- immobilized CyMe4-BTPhen. Tetrahedron, 74 (38). pp. 5258-5262. ISSN 0040-4020 doi: https://doi.org/10.1016/j.tet.2018.04.037

Aitken, Lewis Scott (2018) Asymmetric Michael-initiated ring closing reactions promoted by hydrogen bonding organocatalysis and the synthesis of cannabinoid metabolites. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00076616

Akbar, Samina, Boswell, Jacob, Worsley, Carys, Elliott, Joanne M. and Squires, Adam M. (2018) Ultrathin uniform platinum nanowires via a facile route using an inverse hexagonal surfactant phase template. Langmuir, 34 (24). pp. 6991-6996. ISSN 1520-5827 doi: https://doi.org/10.1021/acs.langmuir.7b03970

Arce-Molina, Jorge, Grau-Crespo, Ricardo, Lewis, Dewi W. and Ruiz-Salvador, A. Rabdel (2018) Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: the case of aluminogermanate PKU-9. Physical Chemistry Chemical Physics, 20 (26). pp. 18047-18055. ISSN 1463-9076 doi: https://doi.org/10.1039/C8CP01369A

Aziz, Alex (2018) Electronic structure simulations of energy materials: chalcogenides for thermoelectrics and metal-organic frameworks for photocatalysis. PhD thesis, University of Reading. doi: https://doi.org/10.48683/1926.00077930

Babra, Jasraj S., Russell, Andrew T., Smith, Christopher D. and Zhang, Yuxiong (2018) Combining C-H functionalisation and flow photochemical heterocyclic metamorphosis (FP-HM) for the synthesis of benzo[1,3]oxazepines. Tetrahedron, 74 (38). pp. 5351-5357. ISSN 0040-4020 doi: https://doi.org/10.1016/j.tet.2018.05.066

Baker, Benjamin C., German, Ian M., Chippindale, Ann M., Mcewan, Corrine E. A., Stevens, Gary C., Colquhoun, Howard M. and Hayes, Wayne (2018) Nitroarylurea-terminated supramolecular polymers that exhibit facile thermal repair and aqueous swelling-induced sealing of defects. Polymer, 140. pp. 1-9. ISSN 0032-3861 doi: https://doi.org/10.1016/j.polymer.2018.02.029

Baker, Benjamin C., German, I., Stevens, Gary C., Colquhoun, Howard M. and Hayes, Wayne (2018) Inducing hardening and healability in poly(ethylene-co-acrylic acid) via blending with complementary low molecular weight additives. RSC Advances, 72 (8). pp. 41445-41453. ISSN 2046-2069 doi: https://doi.org/10.1039/C8RA09597C

Balani, Ryan, Davies, Jenna, Morris, Megan E., Nevin, Sophie, Galland, Robert B. and Almond, Matthew J. (2018) Nineteenth century black free frank handstamps of London. Part 2 - the ink: a preliminary study. The GB Journal, 56 (6). pp. 126-132. ISSN 2515-3269

Bartok-Partay, Livia (2018) On the performance of interatomic potential models of iron: comparison of the phase diagrams. Computational Materials Science, 149. pp. 153-157. ISSN 0927-0256 doi: https://doi.org/10.1016/j.commatsci.2018.03.026

Beltran-Pitarch, Braulio, Prado-Gonjal, Jesús, Powell, Anthony V., Ziolkowski, Pawel and García-Cañadas, Jorge (2018) Thermal conductivity, electrical resistivity and dimensionless figure of merit (ZT) determination of thermoelectric materials by impedance spectroscopy up to 250 ºC. Journal of Applied Physics, 124 (2). 025105. ISSN 0021-8979 doi: https://doi.org/10.1063/1.5036937

Bennett, Roger A., Etman, Haitham A., Hicks, Hannah, Richards, Leah, Wu, Chen, Castell, Martin R., Dhesi, Sarnjeet S. and Maccherozzi, Francesco (2018) Magnetic iron oxide nanowires formed by reactive dewetting. Nano Letters, 18 (4). pp. 2365-2372. ISSN 1530-6992 doi: https://doi.org/10.1021/acs.nanolett.7b05310

Brown, Geoffrey D., Bauer, Julia, Osborn, Helen M. I. and Kuemmerle, Rainer (2018) A solution NMR approach to determine the chemical structures of carbohydrates using the hydroxyl groups as starting points. ACS Omega, 3 (12). pp. 17957-17975. ISSN 2470-1343 doi: https://doi.org/10.1021/acsomega.8b02136

Cardin, Christine J. and Hall, James P. (2018) Structural studies of DNA-binding metal complexes of therapeutic importance. In: Waring, Michael J. (ed.) DNA-targeting Molecules as Therapeutic Agents. Royal Society of Chemistry, pp. 198-227. ISBN 9781782629924 doi: https://doi.org/10.1039/9781788012928-00198

Casino, Alessio del, Lukinović, Valentina, Bhatt, Rakesh, Randle, Laura E., Dascombe, Michael J., Fennell, Dr Brian J., Drew, Michael G. B., Bell, Angus, Fielding, Alistair J. and Ismail, Fyaz M. D. (2018) Synthesis, structural determination, and pharmacology of putative dinitroaniline antimalarials. ChemistrySelect, 3 (26). pp. 7572-7580. ISSN 2365-6549 doi: https://doi.org/10.1002/slct.201801723

Castelletto, Valeria, Hamley, Ian W., Seitsonen, Jani, Ruokolainen, Janne, Harris, Gemma, Bellmann-Sickert, Kathrin and Beck-Sickinger, Annette G. (2018) Conformation and aggregation of selectively PEGylated and lipidated gastric peptide hormone human PYY3–36. Biomacromolecules, 19 (11). pp. 4320-4332. ISSN 1525-7797 doi: https://doi.org/10.1021/acs.biomac.8b01209

Castelletto, Valeria, Barnes, Ruth H., Karatzas, Kimon-Andreas, Edwards-Gayle, Charlotte J. C., Greco, Francesca, Hamley, Ian W., Rambo, Robert, Seitsonen, Jani and Ruokolainen, Janne (2018) Arginine-containing surfactant-like peptides: interaction with lipid membranes and antimicrobial activity. Biomacromolecules, 19 (7). pp. 2782-2794. ISSN 1525-7797 doi: https://doi.org/10.1021/acs.biomac.8b00391

Chen, Long, Lim, Kate J. C., Babra, Tahkur S., Taylor, James O., Pižl, Martin, Evans, Robert, Chippindale, Ann M., Hartl, František, Colquhoun, Howard M. and Greenland, Barnaby W. (2018) A macrocyclic receptor containing two viologen species connected by conjugated terphenyl groups. Organic & Biomolecular Chemistry, 16 (27). pp. 5006-5015. ISSN 1477-0520 doi: https://doi.org/10.1039/c8ob00919h

Chen, Long, Vivier, Elodie, Eling, Charlotte J., Babra, Tahkur Singh, Bouillard, Jean-Sebastien G, Adawi, Ali M., Benoit, David M., Hartl, Frantisek, Colquhoun, Howard M., Efremova, Olga A. and Greenland, Barny W. (2018) Conjugated, rod-like viologen oligomers: correlation of oligomer length with conductivity and photoconductivity. Synthetic Metals, 241. pp. 31-38. ISSN 0379-6779 doi: https://doi.org/10.1016/j.synthmet.2018.03.019

Clarke, Coby James, Puttick, Simon, Sanderson, Thomas J., Taylor, Alasdair W., Bourne, Richard, Lovelock, Kevin R. J. and Licence, Peter (2018) Thermal stability of dialkylimidazolium tetrafluoroborate and hexafluorophosphate ionic liquids: ex situ bulk heating to complement in situ mass spectrometry. Physical Chemistry Chemical Physics, 20. pp. 16786-16800. ISSN 1463-9076 doi: https://doi.org/10.1039/C8CP01090K

Czechowski, Tomasz, Larson, Tony R., Catania, Theresa M., Harvey, David, Wei, Cenxi, Essome, Michel, Brown, Geoffrey D. and Graham, Ian A. (2018) Detailed phytochemical analysis of high- and low artemisinin-producing chemotypes of Artemisia annua. Frontiers in Plant Science, 9. p. 641. ISSN 1664-462X doi: https://doi.org/10.3389/fpls.2018.00641

Distler, Petr, Stamberg, Karin, John, Jan, Harwood, Laurence M. and Lewis, Frank W. (2018) Modelling of the Am(III) - Cm(III) kinetic separation effect observed during metal ion extraction by bis-(1,2,4)-triazine ligands. Separation Science and Technology, 53 (2). pp. 277-285. ISSN 0149-6395 doi: https://doi.org/10.1080/01496395.2017.1384017

Doherty, Simon, Knight, Julian G., Backhouse, Tom, Abood, Einas, Al-shaikh, Hind, Clemmet, Ashley R., Ellison, Jack R., Bourne, Richard A., Chamberlain, Thomas W., Stones, Rebecca, Warren, Nicholas J., Fairlamb, Ian J. S. and Lovelock, Kevin R. J. (2018) Heteroatom donor-decorated polymer-immobilized ionic liquid stabilized palladium nanoparticles: efficient catalysts for room-temperature suzuki-miyaura cross-coupling in aqueous media. Advanced Synthesis and Catalysis, 360 (19). pp. 3716-3731. ISSN 1615-4169 doi: https://doi.org/10.1002/adsc.201800561

Doherty, S., Knight, J. G., Backhouse, T., Bradford, A., Saunders, F., Bourne, R. A., Chamberlain, T. W., Stones, R., Clayton, A. and Lovelock, Kevin (2018) Highly efficient aqueous phase reduction of nitroarenes catalyzed by phosphine-decorated polymer immobilized ionic liquid stabilized PdNPs. Catalysis Science & Technology, 8 (5). pp. 1454-1467. ISSN 2044-4761 doi: https://doi.org/10.1039/c7cy02557b

Edwards-Gayle, Charlotte J. C., Greco, Francesca, Hamley, Ian W., Rambo, Robert P., Reza, Mehedi, Ruokolainen, Janne, Skoulas, Dimitrios and Iatrou, Hermis (2018) Self-assembly of telechelic tyrosine end-capped PEO star polymers in aqueous solution. Biomacromolecules, 19 (1). pp. 167-177. ISSN 1525-7797 doi: https://doi.org/10.1021/acs.biomac.7b01420

Fogarty, Richard M., Matthews, Richard P., Ashworth, Claire R., Brandt-Talbot, Agnieska, Palgrave, Robert G., Bourne, Richard A., Vander Hoogerstraete, Tom, Hunt, Patricia A. and Lovelock, Kevin R. J. (2018) Experimental validation of calculated atomic charges in ionic liquids. The Journal of Chemical Physics, 148 (19). 193817. ISSN 0021-9606 doi: https://doi.org/10.1063/1.5011662

Fogarty, Richard M., Rowe, Rebecca, Matthews, Richard P., Clough, Matthew T., Ashworth, Claire R., Brandt, Agnieszka, Corbett, Paul J., Palgrave, Robert G., Smith, Emily F., Bourne, Richard A., Chamberlain, Thomas W., Thompson, Paul B. J., Hunt, Patricia A. and Lovelock, Kevin R. J. (2018) Atomic charges of sulfur in ionic liquids: experiments and calculations. Faraday Discussions, 206. pp. 183-201. ISSN 1364-5498 doi: https://doi.org/10.1039/c7fd00155j

Gadd, Adam J. R., Castelletto, Valeria, Kabova, Elena, Shankland, Kenneth, Perrie, Yvonne, Hamley, Ian, Cobb, Alexander J. A., Greco, Francesca and Edwards, Alexander D. (2018) High potency of lipid conjugated TLR7 agonist requires nanoparticulate or liposomal formulation. European Journal of Pharmaceutical Sciences, 123. pp. 268-276. ISSN 0928-0987 doi: https://doi.org/10.1016/j.ejps.2018.07.048

Gayen, Kousik, Basu, Kingshuk, Bairagi, Dipayan, Castelletto, Valeria, Hamley, Ian W. and Banerjee, Arindam (2018) Amino-acid-based metallo-hydrogel that acts like an esterase. ACS Applied Bio Materials, 1 (5). pp. 1717-1724. ISSN 2576-6422 doi: https://doi.org/10.1021/acsabm.8b00513

Genovese, Chiara, Schuster, Manfred E., Gibson, Emma K., Gianolio, Diego, Posligua, Victor, Grau-Crespo, Ricardo, Cibin, Giannantonio, Wells, Peter P., Garai, Debi, Solokha, Vladyslav, Krick Calderon, Sandra, Velasco-Velez, Juan J., Ampelli, Claudio, Perathoner, Siglinda, Held, Georg, Centi, Gabriele and Arrigo, Rosa (2018) Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon. Nature Communications, 9 (1). 935. ISSN 2041-1723 doi: https://doi.org/10.1038/s41467-018-03138-7

Gessner, Jana Verena (2018) Computational modelling of fatty acids at the air-water interface. PhD thesis, University of Reading.

Gubb, Curtis, Blanusa, Tijana, Griffiths, Alistair and Pfrang, Christian (2018) Can houseplants improve indoor air quality by removing CO2 and increasing relative humidity? Air Quality, Atmosphere & Health, 11 (10). pp. 1191-1201. ISSN 1873-9318 doi: https://doi.org/10.1007/s11869-018-0618-9

Gurung, Sarah Prava (2018) Biophysical & crystallographic studies of DNA i-motifs. PhD thesis, University of Reading.

Habiddin, (2018) Development of a Four-Tier Diagnostic Instrument in Chemical Kinetics (FTDICK) to investigate first-year students’ understanding and misconceptions in the area. PhD thesis, University of Reading.

Hagreen, Matthew Edward (2018) Physical properties of atmospheric aerosol products from the ozonolysis of terpenes. PhD thesis, University of Reading.

Hale, Oliver John (2018) Investigation of liquid atmospheric pressure matrix-assisted laser desorption/ionisation mass spectrometry (AP-MALDI MS) for the large-scale analysis of liquid samples. PhD thesis, University of Reading.

Hale, Oliver J. and Cramer, Rainer (2018) Collision-induced dissociation of doubly-charged barium-cationized lipids generated from liquid samples by atmospheric pressure matrix-assisted laser desorption/ionization provides structurally diagnostic product ions. Analytical and Bioanalytical Chemistry, 410 (5). pp. 1435-1444. ISSN 1618-2650 doi: https://doi.org/10.1007/s00216-017-0788-6

Hamley, Ian W., Castelletto, Valeria, Dehsorkhi, Ashkan, Torras, Juan, Aleman, Carlos, Portnaya, Irina and Danino, Dganit (2018) The conformation and aggregation of proline-rich surfactant-like peptides. Journal of Physical Chemistry B, 122 (6). pp. 1826-1835. ISSN 1520-5207 doi: https://doi.org/10.1021/acs.jpcb.7b11463

Harris, Peter J. F. (2018) Transmission electron microscopy of carbon: a brief history. C: Journal of Carbon Research, 4 (1). 4. ISSN 2311-5629 doi: https://doi.org/10.3390/c4010004

Hartl, František, Bakker, Maarten J., Santos, Vanessa F., Costa, Paulo J. and Calhorda, Maria José (2018) Accurate description of low-lying excited states in a series of photoreactive clusters [Os3(CO)10(α-diimine)] by DFT calculations. Inorganic Chemistry, 57 (18). pp. 11704-11716. ISSN 0020-1669 doi: https://doi.org/10.1021/acs.inorgchem.8b01847

Hartweg, Manuel, Edwards-Gayle, Charlotte J. C., Radvar, Elham, Collis, Dominic, Reza, Mehedi, Kaupp, Michael, Steinkoenig, Jan, Ruokolainen, Janne, Rambo, Robert, Barner-Kowollik, Christopher, Hamley, Ian W., Azevedo, Helena S. and Becer, C. Remzi (2018) Ugi multicomponent reaction to prepare peptide–peptoid hybrid structures with diverse chemical functionalities. Polymer Chemistry, 9 (4). pp. 482-489. ISSN 1759-9954 doi: https://doi.org/10.1039/c7py01953j

Hauptstein, Niklas, De Leon-Rodriguez, Luis M., Mitra, Alok K., Hemar, Yacine, Kavianinia, Iman, Li, Na, Castelletto, Valeria, Hamley, Ian W. and Brimble, Margaret A. (2018) Supramolecular threading of peptide hydrogel fibrils. ACS Biomaterials Science & Engineering, 4 (8). pp. 2733-2738. ISSN 2373-9878 doi: https://doi.org/10.1021/acsbiomaterials.8b00283

Hermida-Merino, Daniel, O'Driscoll, Ben, Hart, Lewis R., Harris, Peter J., Colquhoun, Howard M., Slark, Andrew T., Prisacariu, Cristina, Hamley, Ian W. and Hayes, Wayne (2018) Enhancement of microphase ordering and mechanical properties of supramolecular hydrogen-bonded polyurethane networks. Polymer Chemistry, 9 (24). pp. 3406-3414. ISSN 1759-9954 doi: https://doi.org/10.1039/C8PY00604K

Herrmann, Dirk, Rödl, Christian, de Bruin, Bas, Hartl, František and Wolf, Robert (2018) Synthesis, electronic structure and redox properties of the diruthenium sandwich complexes [Cp*Ru(μ-C10H8)RuCp*]x (x = 0, 1+; Cp* = C5Me5; C10H8 = naphthalene). Dalton Transactions, 47 (32). pp. 11058-11069. ISSN 1477-9226 doi: https://doi.org/10.1039/c8dt02003e

Hughes, D. L., Afsar, A., Laventine, D. M., Shaw, E. J., Harwood, L. M. and Hodson, M. E. (2018) Metal removal from soil leachates using DTPA-functionalised maghemite nanoparticles, a potential soil washing technology. Chemosphere, 209. pp. 480-488. ISSN 1879-1298 doi: https://doi.org/10.1016/j.chemosphere.2018.06.121

Khalily, Mohammad Aref, Usta, Hakan, Ozdemir, Mehmet, Bakan, Gokhan, Dikecoglu, F. Begum, Edwards-Gayle, Charlotte, Hutchinson, Jessica A., Hamley, Ian W., Dana, Aykutlu and Guler, Mustafa O. (2018) The design and fabrication of supramolecular semiconductor nanowires formed by benzothienobenzothiophene (BTBT)-conjugated peptides. Nanoscale, 10 (21). pp. 9987-9995. ISSN 2040-3364 doi: https://doi.org/10.1039/c8nr01604f

Khan, Samim, Herrero, Santiago, González-Prieto, Rodrigo, Drew, Michael G. B., Banerjee, Snehasis and Chattopadhyay, Shouvik (2018) A mixed phenoxo and end-on azide bridged dinuclear copper(ii) Schiff base complex: synthesis, structure, magnetic characterization and DFT study. New Journal of Chemistry, 42 (16). pp. 13512-13519. ISSN 1144-0546 doi: https://doi.org/10.1039/c8nj02612b

Lampkin, John Daniel (2018) Solvothermal synthesis of novel inorganic materials and frameworks. PhD thesis, University of Reading.

Leroux, Flavien, Bennett, Roger, Lewis, David and Colquhoun, Howard M. (2018) Trifluoromethylation of carbonyl groups in aromatic poly(ether ketone)s: formation of strongly polar yet surface-hydrophobic poly(arylenenecarbinol)s. Macromolecules, 51 (9). pp. 3415-3422. ISSN 0024-9297 doi: https://doi.org/10.1021/acs.macromol.8b00017

Lewis, Frank W., Harwood, Laurence M., Hudson, Michael J., Afsar, Ashfaq, Laventine, Dominic M., John, Jan, Stastna, Kamila and Distler, Petr (2018) Separation of the minor actinides americium(III) and curium(III) by hydrophobic and hydrophilic BTPhen ligands: exploiting differences in their rates of extraction and effective separations at equilibrium. Solvent Extraction and Ion Exchange, 36 (2). pp. 115-135. ISSN 0736-6299 doi: https://doi.org/10.1080/07366299.2018.1429358

Long, Sebastian O. J., Powell, Anthony V., Vaqueiro, Paz and Hull, Stephen (2018) High thermoelectric performance of bornite through control of the Cu(II) content and vacancy concentration. Chemistry of Materials, 30 (2). pp. 456-464. ISSN 1520-5002 doi: https://doi.org/10.1021/acs.chemmater.7b04436

Makin, Sarah (2018) Synthesis, characterisation and physical properties of Gallium and Germanium Sulphides. PhD thesis, University of Reading.

McQuaid, Kane, Hall, James Pearce, Brazier, John Alan, Cardin, David John and Cardin, Christine Janet (2018) X-ray crystal structures show DNA stacking advantage of terminal nitrile substitution in Ru-dppz complexes. Chemistry- A European Journal, 24 (59). pp. 15859-15867. ISSN 1521-3765 doi: https://doi.org/10.1002/chem.201803021

Melia, Kelly, Greenland, Barnabyy W., Hermida-Merino, Daniel, Hart, Lewis R., Hamley, Ian W., Colquhoun, Howard M., Slark, Andrew T. and Hayes, Wayne (2018) Self-assembling unsymmetrical bis-ureas. Reactive and functional polymers, 124 (1). pp. 156-161. ISSN 1381-5148 doi: https://doi.org/10.1016/j.reactfunctpolym.2018.01.017

Murray, Claire A., Zhu, Zhixue, Cardin, Christine J., Colquhoun, Howard M. and Greenland, Barnaby W. (2018) Quadruple stacking of macrocyclic viologen radical-cations. Supramolecular Chemistry, 30 (9). pp. 751-757. ISSN 1061-0278 doi: https://doi.org/10.1080/10610278.2017.1375113

Namgung, Ho, Gwon, Young Jin, Kim, Jongho, Jang, Geunseok, Pepper, Sarah E., Ogden, Mark D., Whittle, Karl R., Harwood, Laurence M. and Lee, Taek Seung (2018) Synthesis of Prussian blue-embedded porous polymer for detection and removal of Cs ions. Polymer, 158. pp. 320-326. ISSN 0032-3861 doi: https://doi.org/10.1016/j.polymer.2018.11.001

Nicklin, Richard E. J., Shavorskiy, Andrey, Aksoy Akgul, Funda, Liu, Zhi, Bennett, Roger A., Sacchi, Marco and Held, Georg (2018) “Pop-on and pop-off” surface chemistry of alanine on Ni{111} under elevated hydrogen pressures. The Journal of Physical Chemistry C, 122 (14). pp. 7720-7730. ISSN 1932-7447 doi: https://doi.org/10.1021/acs.jpcc.8b00186

Ontaneda Rojas, Jorge Eduardo (2018) Density functional theory studies of metal-based interfaces. PhD thesis, University of Reading.

Ontaneda, Jorge, Singh, Anjali, Waghmare, Umesh V. and Grau-Crespo, Ricardo (2018) Origin of the monolayer Raman signature in hexagonal boron nitride: a first-principles analysis. Journal of Physics: Condensed Matter, 30 (18). 185701. ISSN 1361-648X doi: https://doi.org/10.1088/1361-648X/aab883

Parker, Matthew P., Murray, Claire A., Hart, Lewis R., Greenland, Barny W., Hayes, Wayne, Cardin, Christine J. and Colquhoun, Howard M. (2018) Mutual complexation between π-π stacked molecular tweezers. Crystal Growth and Design, 18 (1). pp. 386-392. ISSN 1528-7505 doi: https://doi.org/10.1021/acs.cgd.7b01376

Pepper, Sarah E., Whittle, Karl R., Harwood, Laurence M., Cowell, Joseph, Lee, Taek Seung and Ogden, Mark D. (2018) Cobalt and nickel uptake by silica-based extractants. Separation Science and Technology, 53 (10). pp. 1552-1562. ISSN 0149-6395 doi: https://doi.org/10.1080/01496395.2017.1405034

Posligua, Victor, Aziz, Alex, Haver, Renee, Peeks, Martin D., Anderson, Harry L. and Grau-Crespo, Ricardo (2018) Band structures of periodic porphyrin nanostructures. Journal of Physical Chemistry C, 122 (41). pp. 23790-23798. ISSN 1932-7447 doi: https://doi.org/10.1021/acs.jpcc.8b08131

Prado-Gonjal, Jesús, Phillips, Matthew, Vaqueiro, Paz, Min, Gao and Powell, Anthony V. (2018) Skutterudite thermoelectric modules with high volume-power-density: scalability and reproducibility. ACS Applied Energy Materials, 1 (11). pp. 6609-6618. ISSN 2574-0962 doi: https://doi.org/10.1021/acsaem.8b01548

Priya, (2018) Structural development of self-immolative dendrons for the detection of electrophilic species. PhD thesis, University of Reading.

Reilly, Sean D., Su, Jing, Keith, Jason M., Yang, Ping, Batista, Enrique R., Gaunt, Andrew J., Harwood, Laurence M., Hudson, Michael J., Lewis, Frank W., Scott, Brian L., Sharrad, Clint A. and Whittaker, Daniel M. (2018) Plutonium coordination and redox chemistry with the CyMe4-BTPhen polydentate N-donor extractant ligand. Chemical Communications, 54 (89). pp. 12582-12585. ISSN 1359-7345 doi: https://doi.org/10.1039/c8cc06015k

Rossi, Kevin, Partay, Livia, Csanyi, Gabor and Baletto, Francesca (2018) Thermodynamics of CuPt nanoalloys. Scientific Reports, 8. 9150. ISSN 2045-2322 doi: https://doi.org/10.1038/s41598-018-27308-1

Roy, Sourav, Halder, Soumi, Drew, Michael G. B., Ray, Partha Pratim and Chattopadhyay, Shouvik (2018) Fabrication of an Active Electronic Device Using a Hetero-bimetallic Coordination Polymer. ACS Omega, 3 (10). pp. 12788-12796. ISSN 2470-1343 doi: https://doi.org/10.1021/acsomega.8b02025

Roy, Sourav, Halder, Soumi, Drew, Michael G. B., Ray, Partha Pratim and Chattopadhyay, Shouvik (2018) Unprecedented photosensitivity of heterotrimetallic copper(ii)/sodium/mercury(ii) coordination polymer based thin film semiconductor device. New Journal of Chemistry, 42 (18). pp. 15295-15305. ISSN 1144-0546 doi: https://doi.org/10.1039/c8nj02261e

Ryan, David E. and Hartl, Frantisek (2018) IR Spectro-electrochemistry and group-6 alpha-diimine catalysts of CO2 reduction. In: Marken, Frank and Fermin, David (eds.) Electrochemical Reduction of Carbon Dioxide: Overcoming the Limitations of Photosynthesis. Energy & Environment. Royal Society of Chemistry, pp. 182-211. ISBN 9781782620426 doi: https://doi.org/10.1039/9781782623809

Ryumin, Pavel and Cramer, Rainer (2018) The composition of liquid atmospheric pressure matrix-assisted laser desorption/ionization matrices and its effect on ionization in mass spectrometry. Analytica Chimica Acta, 1013. pp. 43-53. ISSN 1873-4324 doi: https://doi.org/10.1016/j.aca.2018.01.070

Scollo, Emanuele, Neville, David, Oruna-Concha, M. Jose ORCID: https://orcid.org/0000-0001-7916-1592, Trotin, Martine and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 (2018) Characterization of the proteome of Theobroma cacao beans by nano-UHPLC-ESI MS/MS. Proteomics, 18 (3-4). 1700339. ISSN 1615-9853 doi: https://doi.org/10.1002/pmic.201700339

Sebastiani, Federica, Campbell, Richard A., Rastogi, Kunal and Pfrang, Christian (2018) Night-time oxidation of surfactants at the air–water interface: effects of chain length, head group and saturation. Atmospheric Chemistry and Physics, 18 (5). pp. 3249-3268. ISSN 1680-7316 doi: https://doi.org/10.5194/acp-18-3249-2018

Shaw, John S., Vaiyapuri, Rajendran, Parker, Matthew P., Murray, Claire A., Lim, Kate J. C., Pan, Cong, Knappert, Marcus, Cardin, Christine J., Greenland, Barnaby W., Grau-Crespo, Ricardo and Colquhoun, Howard M. (2018) Elements of fractal geometry in the 1H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set. Chemical Science, 9 (17). pp. 4052-4061. ISSN 1478-6524 doi: https://doi.org/10.1039/C8SC00830B

Silva, Emerson R., Listik, Eduardo, Han, Sang W., Alves, Wendel A., Soares, Bruna M., Reza, Mehedi, Ruokolainen, Janne and Hamley, Ian W. (2018) Sequence length dependence in arginine/phenylalanine oligopeptides: Implications for self-assembly and cytotoxicity. Biophysical Chemistry, 233. pp. 1-12. ISSN 0301-4622 doi: https://doi.org/10.1016/j.bpc.2017.11.005

Singh, Vikram, Ma, Pengtao, Drew, Michael G. B., Wang, Jingping and Niu, Jingyang (2018) A comprehensive approach providing a new synthetic route for bimetallic electrocatalysts via isoPOMs [M/Rh(Cp*)4W8O32] (M = Rh (1) and Ir (2)). Dalton Transactions, 47 (39). pp. 13870-13879. ISSN 1364-5447 doi: https://doi.org/10.1039/c8dt03227k

Strudwick, Benjamin H., Zhang, Jing, Hilbers, Michiel F., Buma, Wybren Jan, Woutersen, Sander, Liu, Sheng Hua and Hartl, František (2018) Excited-state electronic asymmetry prevents photoswitching in terthiophene compounds. Inorganic Chemistry, 57 (15). pp. 9039-9047. ISSN 0020-1669 doi: https://doi.org/10.1021/acs.inorgchem.8b01005

Szekeres, Béla, Partay, Livia B. and Mátyus, Edit (2018) Direct computation of the quantum partition function by path-integral nested sampling. Journal of Chemical Theory and Computation, 14 (8). pp. 4353-4259. ISSN 1549-9626 doi: https://doi.org/10.1021/acs.jctc.8b00368

Taylor, James O., Leavey, Roisín D. and Hartl, Frantisek (2018) Solvent and ligand substitution effects on electrocatalytic reduction of CO2 with [Mo(CO)4(x,xʹ-dimethyl-2,2′-bipyridine)] (x = 4-6) enhanced at a gold cathodic surface. ChemElectroChem, 5 (21). pp. 3155-3161. ISSN 2196-0216 doi: https://doi.org/10.1002/celc.201800879

Torma, Attila Ferenc (2018) SI-traceable quantification of clinically relevant proteins. PhD thesis, University of Reading.

Tsaousis, Panayiotis, Ontaneda, Jorge, Bignardi, Luca, Bennett, Roger A., Grau-Crespo, Ricardo and Held, Georg (2018) A combined experimental and theoretical study of methyl acetoacetate adsorption on Ni{100}. The Journal of Physical Chemistry C, 122 (11). pp. 6186-6194. ISSN 1932-7447 doi: https://doi.org/10.1021/acs.jpcc.8b00204

Westwood, James (2018) Progress towards the development of metal selective ligands for nuclear waste reprocessing. PhD thesis, University of Reading.

Westwood, James, Harwood, Laurence, Afsar, Ashfaq, Cowell, Joe, Distler, Petr and John, Jan (2018) Synthesis and screening of a novel (dppz)-BTPhen ligand for separation of Americium from Europium. Letters in Organic Chemistry, 15 (5). pp. 340-344. ISSN 1570-1786 doi: https://doi.org/10.2174/1570178615666171220144058

Woden, Ben, Skoda, Maximilian, Hagreen, Matthew and Pfrang, Christian (2018) Night-time oxidation of a monolayer model for the air–water interface of marine aerosol - a study by simultaneous neutron reflectometry and in situ infra-red reflection absorption spectroscopy (IRRAS). Atmosphere, 9 (12). 471. ISSN 2073-4433 doi: https://doi.org/10.3390/atmos9120471

Yadav, Chote Lal, Rajput, Gunjan, Manar, Krishna K., Kumari, Kavita, Drew, Michael G. B. and Singh, Nanhai (2018) Cooperative metal–ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes. Dalton Transactions, 47 (45). pp. 16264-16278. ISSN 1477-9234 doi: https://doi.org/10.1039/c8dt03694b

Zhang, Cuiyun, Zhou, Huipeng, Li, Yongxin, Zhang, Yunyi, Yu, Cong, Li, Hongfei, Chen, Yu, Hamley, Ian W. and Jiang, Shichun (2018) Investigations on the micellization of amphiphilic dendritic copolymers: from unimers to micelles. Journal of Colloid and Interface Science, 514. pp. 609-614. ISSN 0021-9797 doi: https://doi.org/10.1016/j.jcis.2017.12.070

Zhang, Ming-Xing, Zhang, Jing, Jin, Xuyang, Sun, Xiaona, Yin, Jun, Hartl, Frantisek and Liu, Sheng Hua (2018) Diphenylamine-substituted osmanaphthalyne complexes: structural, bonding, and redox properties of unusual donor–bridge–acceptor systems. Chemistry - A European Journal, 24 (71). pp. 18998-19009. ISSN 0947-6539 doi: https://doi.org/10.1002/chem.201804025

Zhang, Ming-Xing, Zhang, Jing, Yin, Jun, Hartl, Frantisek and Liu, Sheng Hua (2018) Anodic electrochemistry of mono- and dinuclear aminophenylferrocene and diphenylaminoferrocene complexes. Dalton Transactions, 47 (17). pp. 6112-6123. ISSN 1364-5447 doi: https://doi.org/10.1039/c8dt00584b

Zhong, Jie, Mohan, Saeed D., Bell, Alan, Terry, Ann, Mitchell, Geoffrey and Davis, Fred J. (2018) Electrospinning of food-grade nanofibres from whey protein. International Journal of Biological Macromolecules, 113. pp. 764-773. ISSN 0141-8130 doi: https://doi.org/10.1016/j.ijbiomac.2018.02.113

2017

Abdelrahim, Nassar (2017) Novel nanostructured materials with 3D architecture. PhD thesis, University of Reading.

Afsar, Ashfaq, Cowell, Joe, Distler, Petr, Harwood, Laurence M., John, Jan and Westwood, James (2017) Synthesis of novel BTPhen-functionalized silica-coated magnetic nanoparticles for separating trivalent actinides and lanthanides. Synlett, 28 (20). pp. 2795-2799. ISSN 0936-5214 doi: https://doi.org/10.1055/s-0036-1590865

Afsar, Ashfaq, Distler, Petr, Harwood, Laurence M., John, Jan and Westwood, James (2017) Extraction of minor actinides, lanthanides and other fission products by silica-immobilized BTBP/BTPhen ligands. Chemical Communications, 53 (28). pp. 4010-4013. ISSN 1359-7345 doi: https://doi.org/10.1039/c7cc01286a

Afsar, Ashfaq, Edwards, A. C., Geist, A., Harwood, Laurence M., Hudson, M. J., Westwood, J. and Whitehead, R. C. (2017) Effective separation of Am(III) from Cm(III) using modified btphen ligands. Heterocycles, 95 (1). pp. 575-586. ISSN 1881-0942 doi: https://doi.org/10.3987/COM-16-S(S)26

Akbar, Samina, Anwar, Aneela, Ayish, Abdullah, Elliott, Joanne M. and Squires, Adam M. (2017) Phytantriol based smart nano-carriers for drug delivery applications. European Journal of Pharmaceutical Sciences, 101. pp. 31-42. ISSN 0928-0987 doi: https://doi.org/10.1016/j.ejps.2017.01.035

Al-Rubaiey, Najem A. and Walsh, Robin (2017) Time resolved spectroscopic investigation of SiD2 + D2: kinetic study. EPJ Web of Conferences, 139. 00004. ISSN 2100-014X doi: https://doi.org/10.1051/epjconf/201713900004

Alazab, Mohamed, Mitchell, Geoffrey R., Davis, Fred J. and Mohan, Saeed D. (2017) Sustainable electrospinning of nanoscale fibres. Procedia Manufacturing, 12. pp. 66-78. ISSN 2351-9789 doi: https://doi.org/10.1016/j.promfg.2017.08.009

Almond, Matthew, Spillman, Mark and Page, Elizabeth (2017) Workbooks in chemistry: inorganic chemistry. Workbooks in Chemistry. Oxford University Press. ISBN 9780198729501

Arslan, Elif, Hatip Koc, Meryem, Uysal, Ozge, Dikecoglu, Begum, Topal, Ahmet E., Garifullin, Ruslan, Ozkan, Alper D., Dana, Aykutlu, Hermida-Merino, Daniel, Castelletto, Valeria, Edwards-Gayle, Charlotte, Baday, Sefer, Hamley, Ian, Tekinay, Ayse B. and Guler, Mustafa O. (2017) Supramolecular peptide nanofiber morphology affects mechanotransduction of stem cells. Biomacromolecules, 18 (10). pp. 3114-3130. ISSN 1525-7797 doi: https://doi.org/10.1021/acs.biomac.7b00773

Aziz, Alex, Ruiz-Salvador, A. Rabdel, Hernandez, Norge C., Calero, Sofia, Hamad, S. and Grau-Crespo, Ricardo (2017) Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions. Journal of Materials Chemistry A, 5 (23). pp. 11894-11904. ISSN 0959-9428 doi: https://doi.org/10.1039/C7TA01278K

Baker, Benjamin C. (2017) The self-assembly of bis aromatic ureas and their applications in gels and healable polymer networks. PhD thesis, University of Reading.

Baldock, Robert J. N., Bernstein, Noam, Salerno, K. Michael, Partay, Livia B. and Csanyi, Gabor (2017) Constant-pressure nested sampling with atomistic dynamics. Physical Review E, 96 (4). 043311. ISSN 1539-3755 doi: https://doi.org/10.1103/PhysRevE.96.043311

Basak, Shibaji, Nandi, Nibidita, Paul, Subir, Hamley, Ian and Banerjee, Arindam (2017) A tripeptide-based self-shrinking hydrogel for waste-water treatment: removal of toxic organic dyes and lead (Pb2+) ions. Chemical Communications, 53 (43). pp. 5910-5913. ISSN 1359-7345 doi: https://doi.org/10.1039/C7CC01774J

Basu, Kingshuk, Nandi, Nibedita, Mondal, Biplab, Dehsorkhi, Ashkan, Hamley, Ian W. and Banerjee, Arindam (2017) Peptide-based ambidextrous bifunctional gelator: applications in oil spill recovery and removal of toxic organic dyes for waste water management. Interface Focus, 7 (6). p. 20160128. ISSN 2042-8898 doi: https://doi.org/10.1098/rsfs.2016.0128

Brown, Jeff, Morris, Michael and Cramer, Rainer (2017) Liquid AP-MALDI: ion signal intensity and persistence at laser repetition rates between 1 Hz and 5 kHz. In: 65th ASMS Conference on Mass Spectrometry, June 4 – 8, 2017, Indianapolis, IN, USA.

Brown, Rosemary, Madrid, Elena, Castaing, Remi, Stone, James M., Squires, Adam M., Edler, Karen J., Takashina, Kei and Marken, Frank (2017) Free-standing phytantriol Q224 cubic-phase films: resistivity monitoring and switching. ChemElectroChem, 4 (5). pp. 1172-1180. ISSN 2196-0216 doi: https://doi.org/10.1002/celc.201600735

Burton, M. R., Lei, C., Staniec, P. A., Terrill, N. J., Squires, A. M., White, N. M. and Nandhakumar, Iris S. (2017) 3D semiconducting nanostructures via inverse lipid cubic phases. Scientific Reports, 7 (1). 6405. ISSN 2045-2322 doi: https://doi.org/10.1038/s41598-017-06895-5

Burton, M. R., Richardson, S. J., Staniec, P. A., Terrill, N. J., Elliott, Joanne, Squires, Adam, White, N. M. and Nandhakumar, Iris S. (2017) A novel route to nanostructured bismuth telluride films by electrodeposition. Electrochemistry Communications, 76. pp. 71-74. ISSN 13882481 doi: https://doi.org/10.1016/j.elecom.2017.02.004

Cardin, Christine J., Kelly, John M. and Quinn, Susan J. (2017) Photochemically active DNA-intercalating ruthenium and related complexes – insights by combining crystallography and transient spectroscopy. Chemical Science, 8 (7). pp. 4705-4723. ISSN 1478-6524 doi: https://doi.org/10.1039/c7sc01070b

Castelletto, V., Kaur, A., Hamley, I. W. ORCID: https://orcid.org/0000-0002-4549-0926, Barnes, R. H., Karatzas, K.-A., Hermida-Merino, D., Swioklo, S., Connon, C. J., Stasiak, J., Reza, M. and Ruokolainen, J. (2017) Hybrid membrane biomaterials from self-assembly in polysaccharide and peptide amphiphile mixtures: controllable structural and mechanical properties and antimicrobial activity. RSC Advances, 7 (14). pp. 8366-8375. ISSN 2046-2069 doi: https://doi.org/10.1039/C6RA27244D

Castelletto, Valeria, Kaur, A., Kowalczyk, Radoslaw M., Hamley, Ian W., Reza, M. and Ruokolainen, J. (2017) Supramolecular hydrogel formation in a series of self-assembling lipopeptides with varying lipid chain length. Biomacromolecules, 18 (7). pp. 2013-2023. ISSN 1525-7797 doi: https://doi.org/10.1021/acs.biomac.7b00057

Chen, Long (2017) A general synthesis of π-conjugated materials. PhD thesis, University of Reading.

Chen, Long, Hartl, Frantisek, Colquhoun, Howard M. and Greenland, Barnaby W. (2017) Prediction of cathodic E1/2 1 and E1/2 2 values for viologen-containing conjugated unimers and dimers from calculated pKb values of the aromatic substituents. Tetrahedron Letters, 58 (19). pp. 1859-1862. ISSN 0040-4039 doi: https://doi.org/10.1016/j.tetlet.2017.03.089

Cook, Michael and Cranwell, Philippa (2017) Workbook in organic chemistry. Workbooks in Chemistry. Oxford University Press, Oxford, pp128. ISBN 9780198729518

Cranwell, Philippa, Harwood, Laurence M. and Moody, Christopher J. (2017) Experimental organic chemistry. Wiley-Blackwell, pp688. ISBN 9781119952398

Cranwell, Philippa, Page, Elizabeth M. and Squires, Adam M. (2017) Assessing final-year practical work through group projects. Practice and Evidence of the Scholarship of Teaching and Learning in Higher Education, 12 (3). pp. 494-504. ISSN 1750-8428

Cranwell, Philippa B., Davis, Fred J., Elliott, Joanne M., McKendrick, John E., Page, Elizabeth M. and Spillman, Mark J. (2017) Encouraging independent thought and learning in first year practical classes. New Directions in the Teaching of Physical Sciences, 12 (1). ISSN 2051-3615

Dumitriu, Raluca P., Mitchell, Geoffrey R., Davis, Fred J. and Vasile, Cornelia (2017) Functionalized coatings by electrospinning for anti-oxidant food packaging. Procedia Manufacturing, 12. pp. 59-65. ISSN 2351-9789 doi: https://doi.org/10.1016/j.promfg.2017.08.008

Edwards, Alyn C., Geist, Andreas, Müllich, Udo, Sharrad, Clint A., Pritchard, Robin G., Whitehead, Roger C. and Harwood, Laurence M. (2017) Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems. Chemical Communications, 53 (58). pp. 8160-8163. ISSN 1359-7345 doi: https://doi.org/10.1039/c7cc03903d

Edwards, Alyn C., Mocilac, Pavle, Geist, Andreas, Harwood, Laurence M., Sharrad, Clint A., Burton, Neil A., Whitehead, Roger C. and Denecke, Melissa A. (2017) Hydrophilic 2,9-bis-triazolyl-1,10-phenanthroline ligands enable selective Am(iii) separation: a step further towards sustainable nuclear energy. Chemical Communications, 53 (36). pp. 5001-5004. ISSN 1364-548X doi: https://doi.org/10.1039/c7cc01855j

Edwards-Gayle, Charlotte J. C. and Hamley, Ian W. (2017) Self-assembly of bioactive peptides, peptide conjugates, and peptide-mimetic materials. Organic & Biomolecular Chemistry, 15 (28). pp. 5867-5876. ISSN 1477-0520 doi: https://doi.org/10.1039/C7OB01092C

Felip-León, Carles, Galindo, Francisco, Miravet, Juan F., Castelletto, Valeria and Hamley, Ian W. (2017) Thermally regulated reversible formation of vesicle-like assemblies by hexaproline amphiphiles. The Journal of Physical Chemistry B, 121 (31). pp. 7443-7446. ISSN 1520-6106 doi: https://doi.org/10.1021/acs.jpcb.7b06167

Fielding, Alistair J., Lukinović, Valentina, Evans, Philip G., Alizadeh-Shekalgourabi, Said, Bisby, Roger H., Drew, Michael G. B., Male, Verity, Del Casino, Alessio, Dunn, James F., Randle, Laura E., Dempster, Nicola M., Nahar, Lutfun, Sarker, Satyajit D., Cantú Reinhard, Fabián G., de Visser, Sam P., Dascombe, Mike J. and Ismail, Fyaz M. D. (2017) Modulation of antimalarial activity at a putative bisquinoline receptor in vivo using fluorinated bisquinolines. Chemistry - A European Journal, 23 (28). pp. 6811-6828. ISSN 0947-6539 doi: https://doi.org/10.1002/chem.201605099

Fogarty, Richard M., Matthews, Richard Paul, Clough, Matthew T., Ashworth, Claire A., Brandt-Talbot, Agnieszka, Corbett, Paul Joseph, Palgrave, Robert G., Bourne, Richard A., Chamberlain, Thomas W, Vander Hoogerstraete, Tom, Thompson, Paul B. J., Hunt, Patricia A., Besley, Nicholas Alan and Lovelock, Kevin R. J. (2017) NEXAFS spectroscopy of ionic liquids: experiments versus calculations. Physical Chemistry Chemical Physics, 19 (46). pp. 31156-31167. ISSN 1463-9076 doi: https://doi.org/10.1039/C7CP07143D