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Vecten, S., Wilkinson, M., Bimbo, N., Dawson, R., & Herbert, B. M. J. (2021). Experimental investigation of the temperature distribution in a microwave-induced plasma reactor. Fuel Processing Technology, 212, [106631]. https://doi.org/10.1016/j.fuproc.2020.106631
Mapp, L. K., Cadden, J., Klooster, W., Aitipamula, S., & Coles, S. J. (2021). Insights into the structure-property relationship of pharmaceutical co-crystals: charge density and quantum chemical approaches. Journal of Molecular Structure, 1224, [129270]. https://doi.org/10.1016/j.molstruc.2020.129270
George, M. R., Critchley, P. E., Whitehead, G. F. S., Bailey, A., Cuda, F., Murdin, B. N., Grossel, M., & Curry, R. J. (2021). Modified pyridine-2,6-dicarboxylate acid ligands for sensitization of near-infrared luminescence from lanthanide ions (Ln3+ = Pr3+, Nd3+, Gd3+, Dy3+, Er3+). Journal of Luminescence, 230, [117715]. https://doi.org/10.1016/j.jlumin.2020.117715
Yilmaz, I., Acar, N. S., Coles, S. J., Pekdemir, F., & Şengül, A. (2021). Spectroscopic, structural and DFT studies of luminescent Pt(II) and Ag(I) complexes with an asymmetric 2,2'-bipyridine chelating ligand. Journal of Molecular Structure, 1223, 1-10. [129271]. https://doi.org/10.1016/j.molstruc.2020.129271
Choubeu, C. M. N., Ndosiri , B. N., Vezin, H., Minaud, C., Orton, J., Coles, S. J., & Nenwa, J. (2021). Two isostructural oxalato-bridged dimetallic heptanuclear [Ba^II₃M^III₄] complexes (M = Cr; Fe) associated with 3-aminopyridinium cations: Synthesis, crystal structure and magnetic properties. Polyhedron, 193, [114885]. https://doi.org/10.1016/j.poly.2020.114885
Vig, A., Poulter, J. A., Ottaviani, D., et al., & Genomics England Research Consortium (2020). DYNC2H1 hypomorphic or retina-predominant variants cause nonsyndromic retinal degeneration. Genetics in Medicine, 22(12), 2041-2051. https://doi.org/10.1038/s41436-020-0915-1
Davitt, F., Stokes, K., Collins, T. W., Roldan-Gutierrez, M., Robinson, F., Geaney, H., Biswas, S., Chan, S. L. Y., Ryan, K. M., Reid, G., & Holmes, J. D. (2020). 2D SnSe nanonetworks; growth and evaluation for Li-ion battery applications. ACS Applied Energy Materials.
Moxley-Paquette, V., Lane, D., Soong, R., Ning, P., Bastawrous, M., Wu, B., Pedram, M. Z., Talukder, M. A. H., Ghafar-Zadeh, E., Zverev, D., Martin, R., Macpherson, B., Vargas, M., Schmidig, D., Graf, S., Frei, T., Al Adwan-Stojilkovic, D., De Castro, P., Busse, F., ... Simpson, A. J. (2020). 5-axis CNC micro-milling for rapid, cheap and background free NMR micro-coils. Analytical Chemistry. https://doi.org/10.1021/acs.analchem.0c03126
Asquith, C. R. M., & Tizzard, G. J. (2020). 6-bromo-n-(3-(difluoromethyl)phenyl)quinolin-4-amine. Molbank, 2020(4), 1-7. [M1161]. https://doi.org/10.3390/M1161
Secker, T. J., Leighton, T., Offin, D., Birkin, P. R., Herve, R., & Keevil, C. (2020). A cold water, ultrasonic activated stream efficiently removes proteins and prion-associated amyloid from surgical stainless steel: ultrasonic water stream for surgical decontamination. Journal of Hospital Infection, 106(4), 649-656. https://doi.org/10.1016/j.jhin.2020.09.021
Craig, B., Skylaris, C-K., Schoetz, T., & Ponce De Leon Albarran, C. (2020). A computational chemistry approach to modelling conducting polymers in ionic liquids for next generation batteries. Energy Reports, 6(5), 198-208. https://doi.org/10.1016/j.egyr.2020.03.025
Khalid, S., & Newstead, S. (2020). A computational swiss army knife approach to unravelling the secrets of proton movement through SERCA. Biophysical Journal, 119(5), 890-891. https://doi.org/10.1016/j.bpj.2020.07.028
Lampkin, J., Li, H., Furness, L., Raccichini, R., & Garcia-Araez, N. (2020). A critical evaluation of electrode thickness effects and side reactions on electrolytes for aluminium-sulfur batteries. ChemSusChem. https://doi.org/10.1002/cssc.202000447
Folgueiras Amador, A., Teuten, A. E., Pletcher, D., & Brown, R. C. D. (2020). A design of flow electrolysis cell for ‘Home’ fabrication. Reaction Chemistry & Engineering, 5(4), 712-718. https://doi.org/10.1039/D0RE00019A
García de la Concepción, J., Ávalos, M., Jiménez, J. L., Cintas, P., & Light, M. (2020). A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen. Organic & Biomolecular Chemistry, 18(32), 6328-6339. https://doi.org/10.1039/D0OB01428A
Meddings, N., Judez, X., Li, C., & Garcia-Araez, N. (2020). A highly sensitive electrochemical sensor of polysulfides in polymer lithium-sulfur batteries. Journal of the Electrochemical Society, 167(8), [080520]. https://doi.org/10.1149/1945-7111/ab8ce9
Gan, L., Chidambaram, A., Fonquernie, P. G., Light, M., Choquesillo-Lazarte, D., Huang, H., Solano, E., Fraile, J., Viñas, C., Teixidor, F., Navarro, J. A. R., Stylianou, K. C., & Planas, J. G. (2020). A highly water stable meta-carborane based copper-metal-organic framework for efficient high-temperature butanol separation. Journal of the American Chemical Society, 142(18), 8299-8311. https://doi.org/10.1021/jacs.0c01008
Bengs, C., & Levitt, M. H. (2020). A master equation for spin systems far from equilibrium. Journal of Magnetic Resonance, 310, [106645]. https://doi.org/10.1016/j.jmr.2019.106645
Pettersen, A., Putra , O. D., Light, M., & Namatame, Y. (2020). A peculiar dehydration and solid–solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations. CrystEngComm, 22(43), 7280-7289. https://doi.org/10.1039/D0CE00276C
Burns, J. R., Wood, J. W., & Stulz, E. (2020). A porphyrin-DNA chiroptical molecular ruler with base pair resolution. Frontiers in Chemistry, 8, [113]. https://doi.org/10.3389/fchem.2020.00113
Dziedzic, J., Bhandari, A., Anton, L., Peng, C., Womack, J. C., Famili, M., Kramer, D., & Skylaris, C-K. (2020). A practical approach to large scale electronic structure calculations in electrolyte solution s via continuum-embedded linear-scaling DFT. The Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.0c00762
Coles, S. J., & Threlfall, T. L. (2020). A practical guide to the measurement of turbidity curves of cooling crystallisations from solution. CrystEngComm, 22(10), 1865-1874. https://doi.org/10.1039/C9CE01622H
Jackson, C., Smith, G. T., Mpofu, N., Dawson, J. M. S., Khoza, T., September, C., Taylor, S. M., Inwood, D. W., Leach, A., Kramer, D., Russell, A. E., Kucernak, A. R., & Levecque, P. (2020). A quick and versatile one step metal–organic chemical deposition method for supported Pt and Pt-alloy catalysts. RSC Advances, 2020(34), 19982–19996. https://doi.org/10.1039/D0RA03001E
Rowden, B., & Garcia-Araez, N. (2020). A review of gas evolution in lithium ion batteries. Energy Reports, 6, Suppl. 5, 10-18. https://doi.org/10.1016/j.egyr.2020.02.022
Boyd, T. M., Tegner, B. E., Tizzard, G. J., Martínez-Martínez, A. J., Neale, S. E., Hayward, M. A., Coles, S. J., Macgregor, S. A., & Weller, A. S. (2020). A structurally characterized cobalt(I) σ–alkane complex. Angewandte Chemie International Edition, 59(15), 6177-6181. https://doi.org/10.1002/anie.201914940
Jeffries, B. F. J., Wang, Z., Felstead, H. R., Le Questel, J-Y., Scott, J., Chiarparin, E., Graton, J., & Linclau, B. (2020). A systematic investigation of lipophilicity modulation by aliphatic fluorination motifs. Journal of Medicinal Chemistry, 63(3), 1002-1031. https://doi.org/10.1021/acs.jmedchem.9b01172
Pileio, G., Hall, A. MR., & Cartlidge, D. (2020). A temperature-controlled sample shuttle for field-cycling NMR. Journal of Magnetic Resonance, 317, [106778]. https://doi.org/10.1016/j.jmr.2020.106778
Mayen, L., Jensen , N. D., Desbord , M., Laurencin, D., Bonhomme, C., Smith, M., Porcher , F., Elkaim, E., Charvillat , C., Gras , P., Rey, C., Soulié , J., & Combes, C. (2020). Advances in the synthesis and structure of α-canaphite: a multitool and multiscale study. CrystEngComm, 22(18), 3130-3143. https://doi.org/10.1039/D0CE00132E
Bowker, M., Hellier, P., Decarolis, D., Gianolio, D., Mohammed, K. M. H., Stenner, A., Huthwelker, T., & Wells, P. P. (2020). Al-doped Fe₂O₃as a support for molybdenum oxide methanol oxidation catalysts. Physical Chemistry Chemical Physics, 22(34), 18911-18918. https://doi.org/10.1039/d0cp01192d
Rodin, B. A., Bengs, C., Kiryutin, A. S., Sheberstov, K. F., Brown, L., Brown, R., Yurkovskaya, A. V., Ivanov, K. L., & Levitt, M. H. (2020). Algorithmic cooling of nuclear spins using long-lived singlet order. Journal of Chemical Physics, 152(16), 1-16. https://doi.org/10.1063/5.0006742
Cui, P., Grape, E. S., Spackman, P., Wu, Y., Clowes, R., Day, G. M., Inge, A. K., Little, M. A., & Cooper, A. I. (2020). An expandable hydrogen-bonded organic framework characterized by three-dimensional electron diffraction. Journal of the American Chemical Society, 142(29), 12743-12750. https://doi.org/10.1021/jacs.0c04885
Vidali, V. P., Canko, A., Peroulias, A. D., Georgas, E. T., Bouzas, E., Herniman, J. M., & Couladouros, E. A. (2020). An improved biomimetic formal synthesis of abyssomicin C and atrop-abyssomicin C. European Journal of Organic Chemistry, 2020(29), 4547-4557. https://doi.org/10.1002/ejoc.202000671
Hamar Reksten, A., Russell, A. E., Richardson, P., Thompson, S., Mathisen, K., Seland, F., & Sunde, S. (2020). An in situ XAS study of high surface-area IrO2 produced by the polymeric precursor synthesis. Physical Chemistry Chemical Physics, 22(34), 18868-18881. https://doi.org/10.1039/D0CP00217H
Dong, J., Wei, L., Chen, X., Duan, Z., & Lu, Y. (2020). An instrument variable based algorithm for estimating cross-correlated hydrological remote sensing errors. Journal of Hydrology, 581, 1-9. [124413]. https://doi.org/10.1016/j.jhydrol.2019.124413
Bacanu, G. R., Rantaharju, J., Hoffman, G., Walkey, M., Bloodworth, S., Concistre, M., Whitby, R. J., & Levitt, M. H. (2020). An internuclear J-coupling of ³He induced by molecular conﬁnement. Journal of the American Chemical Society, 142(40), 16926–16929. https://doi.org/10.1021/jacs.0c08586
Shishmarev, D., Quiquempoix, L. G., Fontenelle, C. Q., Linclau, B., & Kuchel, P. W. (2020). Anomerisation of fluorinated sugars by mutarotase studied by 19F NMR two-dimensional exchange spectroscopy. Australian Journal of Chemistry, 73(3), 117-128. https://doi.org/10.1071/CH19562
Podda, E., Arca, M., Atzeni, G., Coles, S. J., Ibba, A., Isaia, F., Lippolis, V., Orrù, G., Orton, J. B., Pintus, A., Tuveri, E., & Carla Aragoni, M. (2020). Antibacterial activity of amidodithiophosphonato nickel(II) complexes: an experimental and theoretical approach. Molecules, 25(9), [2052]. https://doi.org/10.3390/molecules25092052
Acevedo-Jake, A., Ball, A. T., Galli, M., Kukwikila, N. M., Denis, M. AS., Singleton, D., Tavassoli, A., & Goldup, S. (2020). AT-CuAAC synthesis of mechanically interlocked oligonucleotides. Journal of the American Chemical Society, 142(13), 5985-5990. https://doi.org/10.1021/jacs.0c01670
Tennant, T., Hulme, M., Robertson, T., Sutcliffe, O., & Mewis, R. (2020). Benchtop NMR analysis of piperazine-based drugs hyperpolarised by SABRE. Magnetic Resonance in Chemistry, 58(12), 1151-1159. https://doi.org/10.1002/mrc.4999
Meyer, C., Blanc, C., Luckhurst, G., Davidson, P., & Dozov, I. (2020). Biaxiality-driven twist-bend to splay-bend nematic phase transition induced by an electric field. Science Advances, 6(36), [eabb8212]. https://doi.org/10.1126/sciadv.abb8212
Bannister, R., Levason, W., & Reid, G. (2020). Bis(diphenylphosphino)methane dioxide complexes of lanthanide trichlorides: synthesis, structures and spectroscopy. Spectroscopy, 2(4), 947-959. https://doi.org/10.3390/chemistry2040060
Saywell, J. C., Carey, M., Kuprov, I., & Freegarde, T. (2020). Biselective pulses for large-area atom interferometry. Physical Review A, 101(6), [063625 ]. https://doi.org/10.1103/PhysRevA.101.063625
Biskupek, J., Skowron, S. T., Stoppiello, C. T., Rance, G. A., Alom, S., Fung, K. L. Y., Whitby, R. J., Levitt, M. H., Ramasse, Q. M., Kaiser, U., Besley, E., & Khlobystov, A. N. (2020). Bond dissociation and reactivity of HF and H₂O in a nano test tube. ACS Nano, 14(9), 11178-11189. https://doi.org/10.1021/acsnano.0c02661
Senapathi, T., Suruzhon, M., Barnett, C. B., Essex, J. W., & Naidoo, K. J. (2020). BRIDGE an open platform for reproducible high throughput free energy simulations. Journal of Chemical Information and Modeling, 60(11), 5290-5295. https://doi.org/10.1021/acs.jcim.0c00206
Picard, B., Perez, K., Lebleu, T., Vuluga, D., Burel, F., Harrowven, D. C., Chataigner, I., Maddaluno, J., & Legros, J. (2020). Bromine-lithium exchange on gem-dibromoalkenes Part 1: batch vs microflow conditions. Journal of Flow Chemistry, 10(1), 139-143. https://doi.org/10.1007/s41981-019-00057-6
Reis, L. A., Garcia, A. P. V., Gomes, E. F. A., Longford, F. G. J., Frey, J. G., Cassali, G. D., & de Paula, A. M. (2020). Canine mammary cancer diagnosis from quantitative properties of nonlinear optical images. Biomedical Optics Express, 11(11), 6413-6427. https://doi.org/10.1364/BOE.400871
Alijani, S., Capelli, S., Cattaneo, S., Schiavoni, M., Evangelisti, C., Mohammed, K. M. H., Wells, P. P., Tessore, F., & Villa, A. (2020). Capping agent effect on Pd-supported nanoparticles in the hydrogenation of furfural. Catalysts, 10(1), 1-16. [11]. https://doi.org/10.3390/catal10010011
Bonsignore, R., Thomas, S. R., Klooster, W. T., Coles, S. J., Jenkins, R. L., Bourissou, D., Barone, G., & Casini, A. (2020). Carbon–phosphorus coupling from C^N cyclometalated Au^III complexes. Chemistry - A European Journal, 26(19), 4226-4231. https://doi.org/10.1002/chem.201905392
Birkin, P. R., Youngs, J., Truscott, T., & Martini, S. (2020). Cavitation clusters in lipid systems – ring-up, bubble population, and bifurcated streamer lifetime. Ultrasonics Sonochemistry, 67, 1-6. [105168]. https://doi.org/10.1016/j.ultsonch.2020.105168
Valverde Sanchez, P., Vendeville, J. B., Hollingsworth, K., Mattey, A., Keenan, T., Chidwick, H., Ledru, H., Huonnic, K., Huang, K., Light, M., Turner, N., Jimenez-Barbero, J., Galan, M. C., Fascione, M. A., Flitsch, S. L., Turnbull, W. B., & Linclau, B. (2020). Chemoenzymatic synthesis of 3-deoxy-3-fluoro-L-fucose and its enzymatic incorporation into glycoconjugates. Chemical Communications, 56(47), 6408-6411. https://pubs.rsc.org/en/Content/ArticleLanding/2020/CC/D0CC02209H#!divAbstract
Reeves, S., Noori, Y., Zhang, W., Reid, G., & Bartlett, P. N. (2020). Chloroantimonate electrochemistry in dichloromethane. Electrochimica Acta, 354, [136692]. https://doi.org/10.1016/j.electacta.2020.136692
Potter, M., Ross, C. P., Gianolio, D., Rios, R., & Raja, R. (Accepted/In press). Cobalt-containing zeolitic imidazole frameworks for C–H activation using visible-light redox photocatalysis. Catalysis Science & Technology, 10(21), 7262-7269. https://doi.org/10.1039/D0CY01061H
Day, G. M. (2020). Combining forces: complementary techniques brought together to determine tricky crystal structures. Acta Crystallographica Section B: Structural Science, 76(3), 294-295. https://doi.org/10.1107/S2052520620007283
Gault, J., Liko, I., Landreh, M., Shutin, D., Reddy Bolla, J., Jefferies, D., Agasid, M., Yen, H-Y., Ladds, M. J. G. W., Lane, D. P., Khalid, S., Mullen, C., Remes, P., Huguet, R., McAlister, G., Goodwin, M., Viner, R., Skya, J., & Robinson, C. V. (2020). Combining native and ‘omics’ mass spectrometry to identify endogenous ligands bound to membrane proteins. Nature Methods, 17(5), 505-508. https://doi.org/10.1038/s41592-020-0821-0
Potter, M. E., Stewart , D. J., Oakley, A. E., Boardman, R. P., Bradley, T., Sazio, P. J. A., & Raja, R. (2020). Combining photocatalysis and optical fibre technology towards improved microreactor design for hydrogen generation with metallic nanoparticles. ACS Photonics, 7(3), 714-722. https://doi.org/10.1021/acsphotonics.9b01577
Meier-Menches, S. M., Aikman, B., Döllerer, D., Klooster, W., Coles, S. J., Santi, N., Luk, L., Casini, A., & Bonsignore, R. (2020). Comparative biological evaluation of two new families of organometallic gold(I) complexes featuring N-heterocyclic carbene and alkynyl ligands. Journal of Inorganic Biochemistry, 202, [110844]. https://doi.org/10.1016/j.jinorgbio.2019.110844
Williamson, B., Limburn, G. J., Watson, G., Hyett, G., & Scanlon, D. O. (2020). Computationally driven discovery of layered quinary oxychalcogenides: Potential p-type transparent conductors? Matter, 3(3), 759-781. https://doi.org/10.1016/j.matt.2020.05.020
Greenacre, V., Levason, W., Reid, G., & Smith, D. E. (2020). Coordination complexes and applications of transition metal sulfide and selenide halides. Coordination Chemistry Reviews, 424, [213512]. https://doi.org/10.1016/j.ccr.2020.213512
Dudek, M., Paluch, P., Sniechowska, J., Nartowski, K. P., Day, G. M., & Potrzebowski, M. J. (2020). Crystal structure determination of an elusive methanol solvate - hydrate of catechin using crystal structure prediction and NMR crystallography. CrystEngComm, 22(30), 4969-4981.
Sylla-Gueye, R., Thiam, I. E., Orton, J., Coles, S. J., & Gaye, M. (2020). Crystal structure of N'-[4-(dimethylamino)benzyl-idene]furan-2-carbohydrazide monohydrate. Acta Crystallographica Section E: Structure Reports Online, 76(Part 5), 660-663. https://doi.org/10.1107/S205698902000465X
Davitt, F., Manning, H. G., Robinson, F., Hawken, S. L., Biswas, S., Petkov, N., van Druenen, M., Boland, J. J., Reid, G., & Holmes, J. D. (2020). Crystallographically controlled synthesis of SnSe nanowires: potential in resistive memory devices. Advanced Materials Interfaces, 7(16), [2000474]. https://doi.org/10.1002/admi.202000474
Collin, D. E., Folgueiras Amador, A., Pletcher, D., Light, M., Linclau, B., & Brown, R. C. D. (2020). Cubane electrochemistry: direct conversion of cubane carboxylic acids to alkoxy cubanes using the Hofer-Moest reaction under flow conditions. Chemistry - A European Journal, 26(2), 374-378. https://doi.org/10.1002/chem.201904479
Liu, T., Padmanabhan, J. V., Zhao, E. W., Lei, J., Garcia-Araez, N., & Grey, C. P. (2020). Current challenges and routes forward for nonaqueous lithium–air batteries. Chemical Reviews, 120(14), 6558-6625. https://doi.org/10.1021/acs.chemrev.9b00545
Collin, D. E., Jackman, E. H., Jouandon, N., Sun, W., Light, M., Harrowven, D. C., & Linclau, B. (Accepted/In press). Decagram synthesis of dimethyl cubane dicarboxylate using continuous–flow photochemistry. Synthesis.
Iborra Torres, A., Kulak, A. N., Palgrave, R. G., & Hyett, G. (2020). Demonstration of visible light activated photocatalytic self-cleaning by thin films of perovskite tantalum and niobium oxynitrides. ACS Applied Materials & Interfaces, 12(30), 33603-33612. https://doi.org/10.1021/acsami.0c05008
Asquith, C. R. M., Laitinen, T., Bennett, J. M., Wells, C. I., Elkins, J. M., Zuercher, W. J., Tizzard, G. J., & Poso, A. (2020). Design and analysis of the 4-anilinoquin(az)oline kinase inhibition profiles of GAK/SLK/STK10 using quantitative structure-activity relationships. ChemMedChem, 15(1), 26-49. https://doi.org/10.1002/cmdc.201900521
Potter, M., Armstrong, L-M., Carravetta, M., Mezza, T., & Raja, R. (2020). Designing multi-dopant species in microporous architectures to probe reaction pathways in solid-acid catalysis. Frontiers in Chemistry, 8, 1-13. [171]. https://doi.org/10.3389/fchem.2020.00171
Foster, A. D., Chung, C., Hann, M. M., Simpson, G. L., & Tavassoli, A. (2020). Development of a fluorescent three‐hybrid system for the identification of protein‐protein associators. Peptide Science, [e24178]. https://doi.org/10.1002/pep2.24178
Vieira, P., Miranda, M. Q., Marques, I., Carvalho, S., Chen, L., Howe, E. N. W., Zhen, C., Leung, C. Y., Spooner, M. J., Morgado, B., Cruz E Silva, O. A. B., Moiteiro, C., Gale, P. A., & Félix, V. (2020). Development of a library of thiophene‐based drug‐like Lego molecules: Evaluation of their anion binding, transport properties, and cytotoxicity. Chemistry - A European Journal, 26(4), 888-889. https://doi.org/10.1002/chem.201904255
Herniman, J., & Langley, G. J. (2020). Development of ultrahigh‐performance liquid chromatography‐ mass spectrometry and ultrahigh‐performance supercritical fluid chromatography‐mass spectrometry assays to determine the concentration of Bitrex™ and sodium saccharin in homemade facemask fit testing solutions. Rapid Communications in Mass Spectrometry, 34(16), [e8848]. https://doi.org/10.1002/rcm.8848
Greenacre, V., Levason, W., & Reid, G. (Accepted/In press). Developments in the chemistry of stibine and bismuthine complexes. Coordination Chemistry Reviews.
Goodchild, S. A., Gao, R., Shenton, D. P., McIntosh, A. J. S., Brown, T., & Bartlett, P. N. (2020). Direct detection and discrimination of nucleotide polymorphisms using anthraquinone labeled DNA probes. Frontiers in Chemistry, 8, [381]. https://doi.org/10.3389/fchem.2020.00381
Recatala Gomez, J., Kumar, P., Suwardi, A., Abutaha, A., Nandhakumar, I. S., & Hippalgaonkar, K. (2020). Direct measurement of the thermoelectric properties of electrochemically deposited Bi2Te3 thin films. Scientific Reports, 10(1), [17922]. https://doi.org/10.1038/s41598-020-74887-z
Eland, J. H. D., Squibb, R. J., Sterling, A. J., Wallner, M., Hult Roos, A., Andersson, S., Axelsson, V., Johansson, E., Teichter, A., Stranges, S., Brunetti, B., Dyke, J. M., Duarte, F., & Feifel, R. (2020). Double and triple ionisation of isocyanic acid. Scientific Reports, 10(1), [2288]. https://doi.org/10.1038/s41598-020-59217-7
Potter, M. (2020). Down the microporous rabbit hole of silicoaluminophosphates, recent developments on synthesis, characterization and catalytic applications. ACS Catalysis, 2020(10), 9758-9789. https://doi.org/10.1021/acscatal.0c02278
Campisi, S., Chan-Thaw, C. E., Chinchilla, L. E., Chutia, A., Botton, G. A., Mohammed, K. M. H., Dimitratos, N., Wells, P. P., & Villa, A. (2020). Dual-site-mediated hydrogenation catalysis on Pd/NiO: Selective biomass transformation and maintenance of catalytic activity at low Pd loading. ACS Catalysis, 10(10), 5483-5492. https://doi.org/10.1021/acscatal.0c00414
Gonzalez Juarez, M. D. L., Flores, E., Martin-Gonzalez , M., Nandhakumar, I. S., & Bradshaw, D. (2020). Electrochemical deposition and thermoelectric characterisation of a semiconducting 2-D metal-organic framework thin film. Journal of Materials Chemistry A, 2020(8), 13197-13206 . https://doi.org/10.1039/D0TA04939E
Thomas, S., Smith, D. E., Greenacre, V., Noori, Y., Hector, A. L., De Groot, C., Reid, G., & Bartlett, P. N. (2020). Electrodeposition of MoS₂ from dichloromethane. Journal of the Electrochemical Society, 167(10), [106511]. https://doi.org/10.1149/1945-7111/ab9c88
Clements, R. J., Womack, J. C., & Skylaris, C-K. (2020). Electron localisation descriptors in ONETEP: a tool for interpreting localisation and bonding in large-scale DFT calculations. Electronic Structure, 2(027001). https://doi.org/10.1088/2516-1075/ab8d19
Jackson, C., Smith, G. T., Russell, A. E., Levecque, P., & Kramer, D. (2020). Electronic metal-support interactions in vacuum vs. electrolyte. Nature Communications, 11(1), [1470]. https://doi.org/10.1038/s41467-020-15307
Campbell, E. K., Reedy, E. S., Rademacher, J., Whitby, R. J., & Hoffman, G. (2020). Electronic spectroscopy of He@C+60 for astrochemical consideration. Astrophysical Journal, 897(1), 1-5. [88]. https://doi.org/10.3847/1538-4357/ab8dba
Bhandari, A., Anton, L., Dziedzic, J., Peng, C., Kramer, D., & Skylaris, C. K. (2020). Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces. Journal of Chemical Physics, 153(12), [124101]. https://doi.org/10.1063/5.0021210
Council, C., Kilpin, K. J., Gusthart, J. S., Allman, S. A., Linclau, B., & Lee, S. S. (2020). Enzymatic glycosylation involving fluorinated carbohydrates. Organic & Biomolecular Chemistry, 18(18), 3423-3451. https://doi.org/10.1039/D0OB00436G
Roman-Trufero, M., Ito, C. M., Pedebos, C., Magdalou, I., Wang, Y-F., Karimi, M. M., Moyon, B., Webster, Z., di Gregorio, A., Azuara, V., Khalid, S., Speck, C., Rodriguez, T., & Dillon, N. (2020). Evolution of an amniote-specific mechanism for modulating ubiquitin signalling via phosphoregulation of the E2 enzyme UBE2D3. Molecular Biology and Evolution, 37(7), 1986-2001. https://doi.org/10.1093/molbev/msaa060
Cheng, C. Y., Campbell, J. E., & Day, G. M. (2020). Evolutionary chemical space exploration for functional materials: Computational organic semiconductor discovery. Chemical Science, 11(19), 4922-4933. https://doi.org/10.1039/D0SC00554A
Aslfattahi, N., Rahman, S., Arifutzzaman, A., Sadri, R., Bimbo, N., Sabri, M. F. M., Maughan, P. A., Bouscarrat, L., Dawson, R. J., Said, S. M., Goh, B. T., & Che Sidik, N. A. (2020). Experimental investigation of energy storage properties and thermal conductivity of a novel organic phase change material/MXene as A new class of nanocomposites. Journal of Energy Storage, 27, [101115]. https://doi.org/10.1016/j.est.2019.101115
Vecten, S., Wilkinson, M., Martin, A., Dexter, A., Bimbo, N., Dawson, R., & Herbert, B. (2020). Experimental study of steam and carbon dioxide microwave plasma for advanced thermal treatment application. Energy, 207, 1-9. [118086]. https://doi.org/10.1016/j.energy.2020.118086
Beswick, L., Ahmadipour, S., Hofman, G-J., Wootton, H., Dimitriou, E., Reynisson, J., Field, R. A., Linclau, B., & Miller, G. J. (2020). Exploring anomeric glycosylation of phosphoric acid: optimisation and scope for non-native substrates. Carbohydrate Research, 488, [107896]. https://doi.org/10.1016/j.carres.2019.107896
Potter, M., Light, M., Irving, D. J. M., Oakley, A. E., Chapman, S., Chater, P., Cutts, G., Watts, A., Wharmby, M., Vandegehuchte, B. D., Schreiber, M. W., & Raja, R. (2020). Exploring the origins of crystallisation kinetics in hierarchical materials using in situ X-ray diffraction and Pair distribution function analysis'. Physical Chemistry Chemical Physics, 22(34), 18860-18867. https://doi.org/10.1039/D0CP00670J
Jacobsen, A., de Miranda Azevedo, R., Juty, N., Batista, D., Coles, S. J., Cornet, R., Courtot, M., Crosas, M., Dumontier, M., Evelo, C. T., Goble, C., Guizzardi, G., Kryger Hansen, K., Hasnain, A., Hettne, K., Heringa, J., Hooft, R. W. W., Imming, M., Jeffery, K. G., ... Schultes, E. (2020). FAIR Principles: Interpretations and implementation considerations. Data Intelligence Journal, 2(1-2). https://doi.org/10.1162/dint_r_00024
Bacanu, G. R., Hoffman, G., Amponsah, M., Concistre, M., Whitby, R. J., & Levitt, M. H. (2020). Fine structure in the solution state 13C-NMR spectrum of C60 and its endofullerene derivatives. Physical Chemistry Chemical Physics, 22(21), 1-12. https://doi.org/10.1039/D0CP01282C
Nandhakumar, I. S., Burton, M. R., Boyle , C., Liu, T., McGettrick, J., Fenwick , O., & Carnie, M. (2020). Full thermoelectric characterization of stoichiometric electrodeposited thin film tin selenide (SnSe). ACS Applied Materials & Interfaces, 12(25), 28232–28238. https://doi.org/10.1021/acsami.0c06026
Verma, P., Kuwahara, Y., Mori, K., Raja, R., & Yamashita, H. (2020). Functionalized mesoporous SBA-15 silica: Recent trends and catalytic applications. Nanoscale, 12(21), 11333-11363. https://doi.org/10.1039/D0NR00732C
Mittal, V., Devitt, G., Nedeljković, M., Carpenter, L. G., Chong, H., Wilkinson, J. S., Mahajan, S., & Mashanovich, G. (2020). Ge on Si waveguide mid-infrared absorption spectroscopy of proteins and their aggregates. Biomedical Optics Express, 11(8), 4714-4722. https://doi.org/10.1364/BOE.398013
Dagys, L., Ripka, B. H., Leutzsch, M., Moustafa, G., Eills, J., Colell, J. FP., & Levitt, M. H. (Accepted/In press). Geminal parahydrogen-induced polarization: accumulating long-lived singlet order on Methylene Proton pairs. Magnetic Resonance, 1-21. https://doi.org/10.5194/mr-2020-16
Bengs, C., Sabba, M., Jerschow, A., & Levitt, M. H. (2020). Generalised magnetisation-to-singlet-order transfer in nuclear magnetic resonance. Physical Chemistry Chemical Physics, 22(17), 9703-9712. https://doi.org/10.1039/D0CP00935K
Birkin, P. R., Linfield, S., Youngs, J., & Denuault, G. (2020). Generation and in situ electrochemical detection of transient nanobubbles. The Journal of Physical Chemistry C, 124(13), 7544-7549. https://doi.org/10.1021/acs.jpcc.0c00435
Takeuchi, T., McQuillan, A. J., Shard, A., Russell, A. E., & Hibbert, D. B. (2020). Glossary of methods and terms used in surface chemical analysis (IUPAC Recommendations 2020). Pure and Applied Chemistry, 92(11), 1781–1860. https://doi.org/10.1515/pac-2019-0404
Kreuzer, M. R., Banerjee, A., Birts, C., Darley, M., Tavassoli, A., Ivan, M., & Blaydes, J. (2020). Glycolysis, via NADH-dependent dimerisation of CtBPs, regulates hypoxia-induced expression of CAIX and stem-like breast cancer cell survival. FEBS Letters, 594(18), 2988-3001.
Samways, M. L., Bruce Macdonald, H., & Essex, J. W. (2020). grand: a Python module for grand canonical water sampling in OpenMM. Journal of Chemical Information and Modeling, 60(10), 4436-4441. https://doi.org/10.1021/acs.jcim.0c00648
Alsaiari, M., Alhemiary, N. A., Umar, A., & Hayden, B. (2020). Growth of amorphous, anatase and rutile phase TiO₂ thin films on Pt/TiO₂/SiO₂/Si (SSTOP) substrate for resistive random access memory (ReRAM) device application. Ceramics International, 46(10), 16310-16320. https://doi.org/10.1016/j.ceramint.2020.03.188
Picci, G., Bazzicalupi, C., Coles, S. J., Gratteri, P., Isaia, F., Lippolis, V., Montis, R., Murgia, S., Nocentini, A., Orton, J. B., & Caltagirone, C. (2020). Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties. Dalton Transactions, 49(27), 9231-9238. https://doi.org/10.1039/d0dt01492c
McQuilton, P., Batista, D., Beyan, O., Granell, R., Coles, S. J., Izzo, M., Lister, A. L., Pergl, R., Rocca-Serra, P., Schaap, B., Shanahan, H., Thurston, M., & Sansone, S-A. (Accepted/In press). Helping the consumers and producers of standards, repositories and policies to enable FAIR data. Data Intelligence Journal, 2(1-2), 151-157. https://doi.org/10.1162/dint_a_00037
Garcia-Araez, N., & Ryall, N. E. (2020). Highly sensitive operando pressure measurements of Li-ion battery materials with a simply modified Swagelok cell. Journal of the Electrochemical Society, 167(11), [110511]. https://doi.org/10.1149/1945-7111/ab9e81
Parker, D., Suturina, E., Kuprov, I., & Chilton, N. F. (2020). How the ligand field in lanthanide coordination complexes determines magnetic susceptibility anisotropy, paramagnetic NMR shift, and relaxation behavior. Accounts of Chemical Research, 53(8), 1520-1534. https://doi.org/10.1021/acs.accounts.0c00275
Rocchigiani, L., Klooster, W., Coles, S. J., Hughes, D. L., Hrobárik, P., & Bochmann, M. (2020). Hydride transfer to gold: yes or no? Exploring the unexpected versatility of Au···H-M bonding in heterobimetallic dihydrides. Chemistry - A European Journal, 26(37), 8267-8280. https://doi.org/10.1002/chem.202000016
Nolan, H., & Browne, M. P. (2020). Hydrogen energy currency: Beyond state-of-the-art transition metal oxides for oxygen electrocatalysis. Current Opinion in Electrochemistry, 21, 55-61. https://doi.org/10.1016/j.coelec.2020.01.004
Doigneaux, C., Pedley, A., Mistry, I. N., Papayova, M., Benkovic, S., & Tavassoli, A. (2020). Hypoxia drives the assembly of the multi-enzyme purinosome complex. The Journal of Biological Chemistry, 295(28), 9551-9566. https://doi.org/10.1074/jbc.RA119.012175
Takahashi, T., Liu, Z., Thevar, T., Burns, N., Mahajan, S., Lindsay, D., Watson, J., & Thornton, B. (2020). Identification of microplastics in a large water volume by integrated holography and Raman spectroscopy. Applied Optics, 59(17), 5073-5078. https://doi.org/10.1364/AO.393643
Stead, J. L., Cundy, A., Hudson, M., Thompson, C., Williams, I., Russell, A. E., & Pabortsava, K. (2020). Identification of tidal trapping of microplastics in a temperate salt marsh system using sea surface microlayer sampling. Scientific Reports, 10(1), [14147]. https://doi.org/10.1038/s41598-020-70306-5
Newbrook, D. W., Richards, S. P., Greenacre, V., Hector, A. L., Levason, W., Reid, G., De Groot, C. H., & Huang, R. (2020). Improved thermoelectric performance of Bi₂Se₃ alloyed Bi₂Te₃ thin films via low pressure chemical vapour deposition. Journal of Alloys and Compounds, 848, [156523]. https://doi.org/10.1016/j.jallcom.2020.156523
Malta, G., Kondrat, S. A., Freakley, S. J., Morgan, D. J., Gibson, E. K., Wells, P. P., Aramini, M., Gianolio, D., Thompson, P. B. J., Johnston, P., & Hutchings, G. J. (2020). In situ K-edge X-ray absorption spectroscopy of the ligand environment of single-site Au/C catalysts during acetylene hydrochlorination. Chemical Science, 11(27), 7040-7052. https://doi.org/10.1039/d0sc02152k
Favaro, M., Cattelan, M., Price, S. WT., Russell, A. E., Calvillo, L., Agnoli, S., & Granozzi, G. (Accepted/In press). In situ study of graphene oxide quantum dot-MoSx nanohybrids as hydrogen evolution catalysts. Surfaces, 3(2), 225-236. https://doi.org/10.3390/surfaces3020017
Burnett, D. L., Petrucco, E., Russell, A. E., Kashtiban, R. J., Sharman, J. D. B., & Walton, R. I. (Accepted/In press). In situ XAFS of acid-resilient iridate pyrochlore oxygen evolution electrocatalysts under operating conditions. Physical Chemistry Chemical Physics.
Maughan, P. A., Tapia-Ruiz, N., & Bimbo, N. (2020). In-situ pillared MXene as a viable zinc-ion hybrid capacitor. Electrochimica Acta, 341, [136061]. https://doi.org/10.1016/j.electacta.2020.136061
Du, D., Neuberger, A., Wu Orr, M., Newman, C. E., Hsu, P-C., Samsudin, F., Szewczak-Harris, A., Ramos, L. M., Debela, M., Khalid, S., Storz, G., & Luisi, B. F. (2020). Interactions of a bacterial RND transporter with a transmembrane small protein in a lipid environment. Structure, 28(6), 625-634. https://doi.org/10.1016/j.str2020.03.013
Richards, S-J., Keenan, T., Vendeville, J-B., Wheatley, D., Chidwick, H., Budhadev, D., Council, C., Webster, C. S., Ledru, H., Baker, A., Walker, M., Galan, M. C., Linclau, B., Fascione, M. A., & Gibson, M. I. (2020). Introducing affinity and selectivity into galectin-targeting nanoparticles with fluorinated glycan ligands. Chemical Science. https://doi.org/10.1039/D0SC05360K
Coles, S. J., Fieldhouse, S. J., Klooster, W., Lees, A. M. J., & Platt, A. W. G. (2020). Lanthanide tri- and tetrathionates and their complexes with triphenylphosphine oxide. Polyhedron, 179, [114404]. https://doi.org/10.1016/j.poly.2020.114404
Noori, Y., Thomas, S., Ramadan, S., Smith, D., Greenacre, V., Abdelazim, N., Han, Y., Beanland, R., Hector, A. L., Klein, N., Reid, G., Bartlett, P. N., & De Groot, K. (2020). Large-area electrodeposition of few-layer MoS2 on graphene for 2D material Heterostructures. ACS Applied Materials & Interfaces, 12(44), 49786-49794. https://doi.org/10.1021/acsami.0c14777
Concilio, M. G. (2020). Large-scale magnetic resonance simulations: A tutorial. Magnetic Resonance in Chemistry, 58(8), 691-717. https://doi.org/10.1002/mrc.5018
Jefferies, B., Wang, Z., Troup, R. I., Goupille, A., Le Questel, J-Y., Fallan, C., Scott, J. S., Chiarparin, E., Graton, J., & Linclau, B. (2020). Lipophilicity trends upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl groups. Beilstein Journal of Organic Chemistry, 2020(16), 2141-2150. https://doi.org/10.3762/bjoc.16.182
Peng, C., Mercer, M., Skylaris, C-K., & Kramer, D. (2020). Lithium intercalation edge effects and doping implications for graphite anodes. Journal of Materials Chemistry A, 8(16), 7947-7955. https://doi.org/10.1039/C9TA13862E
Hussein, A., Al-Hadedi, A. A. M., Mahrath, A. J., Moustafa, G., Almalki, F. A., Alqahtani, A. M., Shityakov, S., & Algazalli, M. E. (2020). Mechanistic investigations on Pinnick oxidation: a density functional theory study. Royal Society Open Science, 7(2), 191568. [191568]. https://doi.org/10.1098/rsos.191568
Oliveira, L. M., Long, A. S., Brown, T., Fox, K. R., & Weber, G. (2020). Melting temperature measurement and mesoscopic evaluation of single, double and triple DNA mismatches. Chemical Science, 11(31), 8273-8287. https://doi.org/10.1039/D0SC01700K
Wootton, T. L., Porter, J. A., Grewal, K. S., Chirila, P. G., Forbes, S., Coles, S. J., Horton, P., Hamilton, A., & Whiteoak, C. J. (2020). Merging Cu-catalysed C-H functionalisation and intramolecular annulations: computational and experimental studies on an expedient construction of complex fused heterocycles. Organic Chemistry Frontiers, 7(10), 1235-1242. https://doi.org/10.1039/D0QO00283F
Taylor, C., Mulvee, M. T., Perenyi, D. S., Probert, M. R., Day, G. M., & Steed, J. (2020). Minimizing polymorphic risk through cooperative computational and experimental exploration. Journal of the American Chemical Society, 142(39), 16668-16680. https://doi.org/10.1021/jacs.0c06749
Bristow, J. C., Naftalin, I., Cliff, S. V. A., Yang, S., Carravetta, M., Heinmaa, I., Stern, R., & Wallis, J. D. (2020). Modelling of an aza-Michael reaction from crystalline naphthalene derivatives containing peri–peri interactions: very long N–C bonds? CrystEngComm, 22(41), 1-13. https://doi.org/10.1039/D0CE01137A
Chiang, Y-C., Wong, M. T. Y., & Essex, J. W. (2020). Molecular dynamics simulations of antibiotic ceftaroline at the allosteric site of penicillin‐binding protein 2a (PBP2a). Israel Journal of Chemistry, 60(7), 754-763. https://doi.org/10.1002/ijch.202000012
Shearer, J., Marzinek, J. K., Bond, P. J., & Khalid, S. (2020). Molecular dynamics simulations of bacterial outer membrane lipid extraction: Adequate sampling? Journal of Chemical Physics, 153(4), [044122]. https://doi.org/10.1063/5.0017734
Haines, C. R. S., Lampronti , G. I., Klooster, W., Coles, S. J., Dutton, S. E., & Carpenter, M. A. (2020). Morin-type transition in 5C pyrrhotite. American Mineralogist, 105(9), 1404-1411. https://doi.org/10.2138/am-2020-7266
Allum, F., Anders, N., Minns, R., Brouard, M., Bucksbaum, P. H., Burt, M., Downes-Ward, B. R., Grundmann, S., Harries, J., Ishimura, Y., Iwayama, H., Kaiser, L., Kukk, E., Lee, J., Liu, X., Nagaya, K., Niozu, A., Niskanen, J., O'Neal, J., ... Forbes, R. (2020). Multi-channel photodissociation and XUV-induced charge transfer dynamics in strong-field-ionized methyl iodide studied with timeresolved recoil-frame covariance imaging. Faraday Discussions. https://doi.org/10.1039/D0FD00115E
Egorova, O., Hafizi, R., Woods, D., & Day, G. M. (2020). Multi-fidelity statistical machine learning for molecular crystal structure prediction. Journal of Physical Chemistry A, 124(39), 8065-8078. https://doi.org/10.1021/acs.jpca.0c05006
Herdzik, K. P., Bourdakos, K., Johnson, P., Lister, A. P., Pitera, A. P., Guo, C-Y., Horak, P., Richardson, D., Price, J., & Mahajan, S. (2020). Multimodal spectral focusing CARS and SFG microscopy with a tailored coherent continuum from a microstructured fiber. Applied Physics B, 126(5), [84]. https://doi.org/10.1007/s00340-020-7406-6
Asquith, C. R. M., Laitinen, T., Wells, C. I., Tizzard, G. J., & Zuercher, W. J. (2020). New insights into 4-anilinoquinazolines as inhibitors of cardiac troponin I-interacting kinase (TNNI3K). Molecules, 25(7), [25071697]. https://doi.org/10.3390/molecules25071697
Pu, Y., Lawrence, M. J., Celorrio, V., Wang, Q., Gu, M., Sun, Z., Agudo Jácome, L., Russell, A. E., Huang, L., & Rodriguez, P. (2020). Nickel confined in 2D earth-abundant oxide layers for highly efficient and durable oxygen evolution catalysts. Journal of Materials Chemistry A, 8(26), 13340-13350. https://doi.org/10.1039/D0TA04031B
Perez Rodriguez, S., Milton, J., & Garcia-Araez, N. (2020). Novel method of lithium production from brines combining battery material and sodium sulphite as a cheap and environmentally friendly reducing agent. ACS Sustainable Chemistry & Engineering, 8(16), 6243-6251. https://doi.org/10.1021/acssuschemeng.9b07072
Shanahan, R. M., Hickey, A., Bateman, L., Light, M. E., & MvGlacken, G. P. (2020). One-pot cross-coupling/C–H functionalization reactions: Quinoline as a substrate and ligand through N–Pd interaction. Journal of Organic Chemistry, 85(4), 2585-2596. https://doi.org/10.1021/acs.joc.9b03321
Saywell, J. C., Carey, M., Belal, M., Kuprov, I., & Freegarde, T. (2020). Optimal control of Raman pulse sequences for atom interferometry. Journal of Physics B, 53(8), 1-10. [085006]. https://doi.org/10.1088/1361-6455/ab6df6
Mostaed, A., Bakaimi, I., Hayden, B., Sinclair, D. C., & Reaney, I. M. (2020). Origin of improved tunability and loss in N₂ annealed barium strontium titanate films. Physical Review Materials, 4(9), [094410]. https://doi.org/10.1103/PhysRevMaterials.4.094410
Altahan, M. A., Beckett, M. A., Coles, S. J., & Horton, P. (2020). Oxidopolyborate anions templated by transition-metal complex cations: Self-assembled syntheses and structural studies (XRD) of [Co(NH3)6]2[B4O5(OH)4]3·11H2O, [Ni(phen)3][B7O9(OH)5].9.5H2O and [Zn(dac)2(H2O)2][B7O9(OH)5]·H2O. Journal of Molecular Structure, 1200, [127071]. https://doi.org/10.1016/j.molstruc.2019.127071
Altahan, M. A., Beckett, M. A., Coles, S. J., & Horton, P. N. (2020). Oxidopolyborate chemistry: the self-assembled, templated, synthesis, and an XRD study of a 1-D coordination polymer, [Cu(en){B₆O₇(OH)₆}]^.3H₂O (en = 1,2-diaminoethane). Phosphorus, Sulfur and Silicon and the Related Elements, 195(11), 952-956. https://doi.org/10.1080/10426507.2020.1804204
Birts, C., Banerjee, A., Darley, M., Dunlop, C., Nelson, S., Nijjar, S., Parker, R., West, J., Tavassoli, A., Rose-Zerilli, M., & Blaydes, J. (2020). p53 is regulated by aerobic glycolysis in cancer cells by the CtBP family of NADH-dependent transcriptional regulators. Science Signaling, 13(630), [eaau9529]. https://doi.org/10.1126/scisignal.aau9529
Beckett, M. A., Meena, B. I., Rixon, T. A., Coles, S. J., & Horton, P. N. (2020). Pentaborate(1-) salts and a tetraborate(2-) salt derived from C₂- or C₃-linked bis(alkylammonium) dications: Synthesis, characterization, and structural (XRD) Studies. Molecules, 25(1), [53]. https://doi.org/10.3390/molecules25010053
Levason, W., Reid, G., Smith, D. E., & Zhang, W. (2020). Pentagonal bipyramidal complexes of WOCl4 and WSCl4 with diphosphine and diarsine ligands. Polyhedron, 179, 1-6. [114372]. https://doi.org/10.1016/j.poly.2020.114372
Aitchison, C., Kane, C., Mcmahon, D. P., Spackman, P., Pulido, A., Wang, X., Wilbraham, L., Chen, L., Clowes, R., Zwijnenburg, M., Sprick, R. S., Little, M. A., Day, G. M., & Cooper, A. I. (2020). Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework. Journal of Materials Chemistry A, 8(15), 7158-7170. https://doi.org/10.1039/D0TA00219D
Hyett, G., Limburn, G. J., Iborra Torres, A., Scanlon, D. O., Williamson, B., & Stephens, M. (2020). Photocatalytic, structural and optical properties of mixed anion solid solutions Ba3Sc2-xInxO5Cu2S2 and Ba3In2O5Cu2S2-ySey. Journal of Materials Chemistry A, 8(38), 19887-19897. https://doi.org/10.1039/D0TA06629J
Pintus, A., Ambrosio, L., Aragoni, M. C., Binda, M., Coles, S. J., Hursthouse, M., Isaia, F., Lippolis, V., Meloni, G., Natali, D. A. N., Orton, J., Podda, E., Sampietro, M., & Arca, M. (2020). Photoconducting devices with response in the visible-NIR region based on neutral Ni complexes of aryl-1,2-dithiolene ligands. Inorganic Chemistry, 59(9), 6410-6421. https://doi.org/10.1021/acs.inorgchem.0c00491
Minns, R., Warne, E. M., Downes-Ward, B. R., Woodhouse, J., Parkes, M., Springate, E., Zhang, Y., Karras, G., Wyatt, A., & Chapman, R. (2020). Photodissociation dynamics of methyl iodide probed using femtosecond extreme ultraviolet photoelectron spectroscopy. Physical Chemistry Chemical Physics, 22(44), 25695-25703. https://doi.org/10.1039/d0cp03478a
Maughan, P. A., Seymour, V. R., Bernardo-Gavito, R., Kelly, D. J., Shao, S., Tantisriyanurak, S., Dawson, R., Haigh, S. J., Young, R. J., Tapia-Ruiz, N., & Bimbo, N. (2020). Porous silica-pillared MXenes with controllable interlayer distances for long-life Na-ion batteries. Langmuir, 36(16), 4370-4382. https://doi.org/10.1021/acs.langmuir.0c00462
Lee, J., Youngs, J., Birkin, P., Truscott, T., & Martini, S. (2020). Potential effect of cavitation on the physical properties of interesterified soybean oil using high-intensity ultrasound: A long-term storage study. JAOCS, Journal of the American Oil Chemists' Society, 97(10), 1105-1117. https://doi.org/10.1002/aocs.12414
Raja, R., Chapman, S., Carravetta, M., Miletto, I., Doherty, C., Dixon, H., Taylor, J., Gianotti, E., & Yu, J. (2020). Probing the design rationale of a high-performing faujasitic zeotype engineered with hierarchical porosity and moderated acidity. Angewandte Chemie International Edition, 59(44), 19561-19569. [anie.202005108]. https://doi.org/10.1002/anie.202005108
Backes, C., Abdelkader, A. M., Alonso, C., & et al. (2020). Production and processing of graphene and related materials. 2D Materials, 7(2), 1-282. [022001]. https://doi.org/10.1088/2053-1583/ab1e0a
Al-Taie, Z. S., Al-Taie, Z. S., Anetts, S. R., Christensen, J., Christensen, J., Coles, S. J., Horton, P. N., Evans, D. M., Jones, L. F., De Kleijne, F. F. J., Ledbetter, S. M., Mehdar, Y. T. H., Murphy, P. J., & Wilson, J. A. (2020). Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study. RSC Advances, 10(38), 22397-22416. https://doi.org/10.1039/c9ra07508a
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Zhang, Z., Tizzard, G. J., Williams, J. A. G., & Goldup, S. M. (2020). Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour. Chemical Science, 11(7), 1839-1847. https://doi.org/10.1039/C9SC05507J
Hussein, A. A. (2020). Ru-catalysed oxidative cyclisation of 1,5-dienes: An unprecedented role for the co-oxidant. RSC Advances, 10(26), 15228-15238. https://doi.org/10.1039/d0ra02303e
Soares, C. O., Rodriguez Martinez, O., Buvat, G., Duca, M., Garbarino, S., Guay, D., Denuault, G., & Tavares, A. C. (2020). Sampled current voltammetry for kinetic studies on materials unsuitable for rotating discs or microelectrodes: application to the oxygen reduction reaction in acidic medium. Electrochimica Acta, 362, [136946]. https://doi.org/10.1016/j.electacta.2020.136946
Newbrook, D. W., Richards, S. P., Greenacre, V., Hector, A. L., Levason, W., Reid, G., De Groot, C., & Huang, R. (2020). Selective chemical vapor deposition approach for Sb2Te3 thin film micro-thermoelectric generators. ACS Applied Energy Materials, 3(6), 5840-5846. https://doi.org/10.1021/acsaem.0c00766
Huefner, A., Kuan, W-L., Mason, S. L., Mahajan, S., & Barker, R. A. (2020). Serum Raman spectroscopy as a diagnostic tool in patients with Huntington's disease. Chemical Science, 11(2), 525-533. https://doi.org/10.1039/C9SC03711J
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Kimpton, H. J., Stulz, E., & Zhang, X. (2020). Silver nanofluids based broadband solar absorber through tuning nanosilver geometries. Solar Energy, 208, 515-526.
Malecka, K., Kaur, B., Cristaldi, D. A., Chay, C. S., Mames, I., Radecka, H., Radecki, J., & Stulz, E. (2020). Silver or gold? A comparison of nanoparticle modified electrochemical genosensors based on cobalt porphyrin-DNA. Bioelectrochemistry, 138, [107723]. https://doi.org/10.1016/j.bioelechem.2020.107723
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Fitch, S., Cibin, G., Hepplestone, S., Garcia-Araez, N., & Hector, A. L. (Accepted/In press). Solvothermal synthesis of Sn₃N₄ as a high capacity sodium-ion anode: theoretical and experimental study of its storage mechanism. Journal of Materials Chemistry A, 8(32), 16437-16450. https://doi.org/10.1039/D0TA04034G
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Logothetis, T., & Flowers, C. (2020). Squaring the circle by attempting to teach a lab class in the cloud: Reflections after a term in lockdown. Journal of Chemical Education, 97(9), 3018-3022. https://doi.org/10.1021/acs.jchemed.0c00872
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Hardacre, C., Beale, A. M., Gibson, E. K., Goodall, J. B. M., Goguet, A., Kondrat, S. A., Malta, G., Stere, C., Wells, P. P., & Hutchings, G. J. (2020). Synchrotron radiation and catalytic science. Synchrotron Radiation News , 33(1), 10-14. https://doi.org/10.1080/08940886.2020.1701368
Aziz, H., Moustafa, G., Abuo-Rahma, G., M. Rabea, S., Hauk, G., Krishna, V. S., Sriram, D., Berger, J. M., & Abbas, S. (2020). Synthesis and antimicrobial evaluation of new nitric oxide‐donating fluoroquinolone/oxime hybrids. Archiv der Pharmazie, 354(1), 1-14. [e2000180]. https://doi.org/10.1002/ardp.202000180
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Bloodworth, S., Hoffman, G., Walkey, M., Bacanu, G. R., Herniman, J., Levitt, M. H., & Whitby, R. J. (2020). Synthesis of Ar@C₆₀ using molecular surgery. Chemical Communications, 56(72), 10521-10524. https://doi.org/10.1039/D0CC04201C
Cheng, H., Garcia-Araez, N., & Hector, A. L. (2020). Synthesis of vanadium nitride-hard carbon composites from cellulose and their performance for sodium ion batteries. ACS Applied Energy Materials, 3(5), 4286-4294. https://doi.org/10.1021/acsaem.0c00003
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Knight, N., Kanza, S., Cruickshank, D., Brocklesby, W., & Frey, J. G. (2020). Talk2Lab: The smart lab of the future. IEEE Internet of Things Journal, 7(9), 8631-8640. [9094640]. https://doi.org/10.1109/JIOT.2020.2995323
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Blackmore, R. H., Rivas, M. E., Tierney, G., Mohammed, K. M. H., Decarolis, D., Hayama, S., Venturini, F., Held, G., Arrigo, R., Amboage, M., Hellier, P., Lynch, E. W., Amri, M., Casavola, M., Erden, T. E., Collier , P., & Wells, P. P. (2020). The electronic structure, surface properties, and in situ N2O decomposition of mechanochemically synthesised LaMnO3. Physical Chemistry Chemical Physics, 22(34), 18774-18787. https://doi.org/10.1039/D0CP00793E
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Lee, S. S., Mizar, P., Kucuk, O., & Ture, S. (2020). The reactions of cyclotriphosphazene with 2-(2-hydroxyethylamino)ethanol. Spectroscopic studies of the derived products. Phosphorus, Sulfur and Silicon and the Related Elements, 195(6), 454-463. https://doi.org/10.1080/10426507.2020.1712396
Bradshaw, R., Dziedzic, J., Skylaris, C-K., & Essex, J. W. (2020). The role of electrostatics in enzymes: do biomolecular force fields reflect protein electric fields? Journal of Chemical Information and Modeling, 60(6), 3131-3144. https://doi.org/10.1021/acs.jcim.0c00217
Ganjitabar, H., Singh, D. P., Chapman, R., Gardner, A., Minns, R. S., Powis, I., Reid, K. L., & Vredenborg, A. (2020). The role of the intermediate state in angle-resolved photoelectron studies using (2 + 1) resonance-enhanced multiphoton ionization of the chiral terpenes, α-pinene and 3-carene. Molecular Physics, [e1808907]. https://doi.org/10.1080/00268976.2020.1808907
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Sánchez-León, A. M., Cintas, P., Light, M., & Palacios, J. C. (2020). Thermal and photochemical switching of chiral sugar azoalkenes. A mechanistic interrogation. European Journal of Organic Chemistry, 2020(19), 2827–2841. https://doi.org/10.1002/ejoc.202000029
Kimpton, H., Cristaldi, D. A., Stulz, E., & Zhang, X. (2020). Thermal performance and physicochemical stability of silver nanoprism-based nanofluids for direct solar absorption. Solar Energy, 199, 366-376. https://doi.org/10.1016/j.solener.2020.02.039
Fianu, J. S., Gholinezhad, J., & Hassan, M. (2020). Thermal simulation of shale gas recovery involving the use of microwave heating. Journal of Petroleum Science and Engineering, 186, 1-13. [106768]. https://doi.org/10.1016/j.petrol.2019.106768
Cicvarić, K., Meng, L., Newbrook, D. W., Huang, R., Ye, S., Zhang, W., Hector, A. L., Reid, G., Bartlett, P. N., & De Groot, C. H. K. (2020). Thermoelectric properties of bismuth telluride thin films electrodeposited from a non-aqueous solution. ACS Omega, 5(24), 14679-14688. https://doi.org/10.1021/acsomega.0c01284
Recatala Gomez, J., Ng, H. K., Kumar, P., Suwardi, A., Zheng, M., Asbahi, M., Tripathy, S., Nandhakumar, I. S., Saifullah, M. S. M., & Hippalgaonkar, K. (2020). Thermoelectric properties of sub-stoichiometric electron beam patterned bismuth sulfide. ACS Applied Materials & Interfaces, 12(30), 33647–33655. https://doi.org/10.1021/acsami.0c06829
Smith, D. E., Greenacre, V., Hector, A. L., Levason, W., Reid, G., Robinson, F., Thomas, S., & Huang, R. (2020). Thioether complexes of WSCl4, WOCl4 and WSCl3 and evaluation of thiochloride complexes as CVD precursors for WS2 thin films. Dalton Transactions, 49(8), 2496-2504. https://doi.org/10.1039/D0DT00068J
Patra, B., Sharma, M., Hale, W. G., & Utz, M. (Accepted/In press). Time-resolved non-invasive metabolomic monitoring of a single cancer spheroid by microﬂuidic NMR. Scientific Reports.
Jefferies, D., & Khalid, S. (2020). To infect or not to infect: molecular determinants of bacterial outer membrane vesicle internalization by host membranes. Journal of Molecular Biology, 432(4), 1251-1264. https://doi.org/10.1016/j.jmb.2020.01.008
Almalki, F. A., Sun, W., Light, M., & Harrowven, D. C. (2020). Total synthesis of polymorphatin A, a macrocyclic bisbibenzyl with boat configured arenes. Tetrahedron, 76(42), [131521]. https://doi.org/10.1016/j.tet.2020.131521
Recatala Gomez, J., Suwardi, A., Nandhakumar, I. S., Abutaha, A., & Hippalgaonkar, K. (2020). Towards accelerated thermoelectric materials and process discovery. ACS Applied Energy Materials, 3(3), 2240-2257. https://doi.org/10.1021/acsaem.9b02222
Iannetelli, A., Da Costa, R. C., Guwy, A. J., Tizzard, G. J., Coles, S. J., & Owen, G. R. (2020). Transformation of a norbornadiene unit to ethylenylcyclopentene requiring cooperation between boron and rhodium centers. Organometallics, 39(10), 1976-1988. https://doi.org/10.1021/acs.organomet.0c00155
Davitt, F., Stokes, K., Collins, T. W., Roldan-Gutierrez, M., Robinson, F., Geaney, H., Biswas, S., Chang, S. L. Y., Ryan, K. M., Reid, G., & Holmes, J. D. (2020). Two-Dimensional SnSe Nanonetworks: Growth and Evaluation for Li-Ion Battery Applications. ACS Applied Energy Materials, 3(7), 6602-6610. https://doi.org/10.1021/acsaem.0c00776
Blackmore, R. H., Rivas, M. E., Erden, T. E., Tran , T. D., Marchbank, H. R., Ozkaya, D., Briceno de Gutierrez, M., Wagland, A., Collier , P., & Wells, P. P. (2020). Understanding the mechanochemical synthesis of the perovskite LaMnO3 and its catalytic behaviour. Dalton Transactions, 49(1), 232-240. https://doi.org/10.1039/C9DT03590G
Somboon, K., Doble, A., Bulmer, D., Basle, A., Khalid, S., & van den Berg, B. (2020). Uptake of monoaromatic hydrocarbons during biodegradation by 5 FadL channel-mediated lateral diffusion. Nature Communications, 11(1), [6331]. https://doi.org/10.1038/s41467-020-20126-y
Moehl, G. E. H. K., Bartlett, P. N., & Hector, A. L. (2020). Using GISAXS to detect correlations between the locations of gold particles electrodeposited from aqueous solution. Langmuir, 36(16), 4432-4438. https://doi.org/10.1021/acs.langmuir.9b03400
Koenis , V. M. A. J., Chiueze, C., Jinks, M. A., Nicu, V. P., Visscher, L., Goldup, S., & Bma, W. J. (2020). Vibrational circular dichroism spectroscopy for probing the expression of chirality in mechanically planar chiral rotaxanes. Chemical Science, 11(32), 8469-8475. https://doi.org/10.1039/D0SC02485F
Dawson, D. M., Sansome, C. E. F., McHugh, L. N., McPherson, M. J., McCormick McPherson, L. J., Morris, R. E., & Ashbrook, S. E. (2019). ¹³C pNMR of “crumple zone” Cu(II) isophthalate metal-organic frameworks. Solid State Nuclear Magnetic Resonance, 101, 44-50. https://doi.org/10.1016/j.ssnmr.2019.05.005
Concistre, M., Kuprov, I., Haies, I. M., Williamson, P., & Carravetta, M. (2019). 14N overtone NMR under MAS: signal enhancement using cross-polarization methods. Journal of Magnetic Resonance, 298, 1-5. https://doi.org/10.1016/j.jmr.2018.10.017
Golten, S., Patinec, A., Akoumany, K., Rocher, J., Graton, J., Jacquemin, D., Le Questel, J-Y., Tessier, A., Lebreton, J., Blot, V., Pipelier, M., Douillard, J-Y., Le Pendu, J., Linclau, B., & Dubreuila, D. (2019). 3,4-Dideoxy-3,3,4,4-tetrafluoro- and 4-OH epimeric 3-deoxy-3,3-difluoro-α-GalCer analogues: Synthesis and biological evaluation on human iNKT cells stimulation. European Journal of Medicinal Chemistry. https://doi.org/10.1016/j.ejmech.2019.05.069
Asquith, C. R. M., & Tizzard, G. J. (2019). 6-Bromo-N-(2-methyl-2H-benzo[d][1,2,3]triazol-5-yl)quinolin-4-amine. Molbank, 2019(4), [M1087]. https://doi.org/10.3390/M1087
Steinberg, L., Frey, J. G., & Russo, J. (2019). A new topological descriptor for water network structure. Journal of Cheminformatics, 11(48), 1-11. https://doi.org/10.1186/s13321-019-0369-0
Khan, H., Medina, H., Tan, L. K., Tjiu, W., Boden, S. A., Teng, J., & Nandhakumar, I. (2019). A single-step route to single-crystal molybdenum disulphide (MoS₂) monolayer domains. Scientific Reports, 9(1), 1-7. [4142]. https://doi.org/10.1038/s41598-019-40893-z
Komolafe, A., Wagih, M., Valavan, A., Ahmed, Z., Stuikys, A., & Zaghari, B. (2019). A smart cycling platform for textile-based sensing and wireless power transfer in smart cities. Proceedings, 32(1), 1-5. [7]. https://doi.org/10.3390/proceedings2019032007
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Erigoni, A., Paul, G., Meazza, M., Hernández-Soto, M. C., Miletto, I., Rios, R., Segarra, C., Marchese, L., Raja, R., Rey, F., Gianotti, E., & Diaz, U. (2019). Acid properties of organosiliceous hybrid materials based on pendant (fluoro)aryl-sulfonic groups through spectroscopic study with probe molecules. Catalysis Science & Technology. https://doi.org/10.1039/C9CY01609K
Goldsworthy, J., Thomas, S. D., Tizzard, G. J., Coles, S. J., & Owen, G. R. (2019). Adding to the family of copper complexes featuring borohydride ligands based on 2-mercaptopyridyl units. Inorganics, 7(8), [93]. https://doi.org/10.3390/inorganics7080093
Beddoe, S. V. F., Lonergan, R. F., Pitak, M., Price, J. R., Coles, S. J., Kitchen, J. A., & Keene, T. (2019). All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer. Dalton Transactions. https://doi.org/10.1039/C9DT01527B
Birkin, P. R., Linfield, S., Denuault, G., Jones, R., Youngs, J., & Wain, E. (2019). An analytical differential resistance pulse system relying on a time shift signal analysis – applications in Coulter counting. ACS Sensors, 4(8), 2190-2195. https://doi.org/10.1021/acssensors.9b01087
Goldup, S. M., Denis, M., Modicom, F., & Lewis, J. E. M. (2019). An auxiliary approach for the stereoselective synthesis of topologically chiral catenanes. Chem, 5(6), 1512-1520. https://doi.org/10.1016/j.chempr.2019.03.008
Padmanabhan, V., Garcia-Araez, N., & Homewood, T. (2019). An unsuitable Li-O₂ battery electrolyte made suitable with the use of redox mediators. The Journal of Physical Chemistry C, 123(33), 20241-20250. https://doi.org/10.1021/acs.jpcc.9b03403
Li, H., Valkenier, H., Thorne, A. G., Dias, C. M., Cooper, J. A., Kieffer, M., Busschaert, N., Gale, P., Sheppard, D. N., & Davis, A. P. (2019). Anion carriers as potential treatments for cystic fibrosis: transport in cystic fibrosis cells, and additivity to channel-targeting drugs. Chemical Science, 2019(10), 9663-9672. https://doi.org/10.1039/C9SC04242C
Fianu, J. S., Gholinezhad, J., & Hassan, M. (2019). Application of temperature-dependent adsorption models in material balance calculations for unconventional gas reservoirs. Heliyon, 5(5), 1-12. [e01721]. https://doi.org/10.1016/j.heliyon.2019.e01721
Arthurs, R. A., Hughes, D. L., Horton, P., Coles, S. J., & Richards, C. J. (2019). Application of transmetallation to the synthesis of planar chiral and chiral-at-metal iridacycles. Organometallics. https://doi.org/10.1021/acs.organomet.8b00905

Book

Pileio, G. (2020). Long-lived nuclear spin order: theory and applications. (New Developments in NMR). Royal Society of Chemistry. https://doi.org/10.1039/9781788019972

Book Chapters

Stuikys, A., & Sykulski, J. (2020). Average rated torque calculations for switched reluctance machines based on vector analysis. In R. Esteves Araújo, & J. Roberto Camacho (Eds.), Modelling and Control of Switched Reluctance Machines (pp. 277-303). IntechOpen. https://doi.org/10.5772/intechopen.89097, https://doi.org/10.5772/intechopen.89097
Tourell, M., & Pileio, G. (2020). Chapter 15. Singlet-assisted diffusion NMR. In G. Pileio (Ed.), Long-lived Nuclear Spin Order: Theory and Applications (pp. 280-301). (New Developments in NMR). Royal Society of Chemistry. https://doi.org/10.1039/9781788019972-00280
Torres, A. M., Pileio, G., & Price, W. S. (2020). Chapter 16. Q-space singlet NMR. In G. Pileio (Ed.), Long-lived Nuclear Spin Order: Theory and Applications (pp. 302-319). (New Developments in NMR). Royal Society of Chemistry. https://doi.org/10.1039/9781788019972-00302
Pileio, G. (2020). Chapter 3. Relaxation theory of long-lived spin order. In G. Pileio (Ed.), Long-lived Nuclear Spin Order: Theory and Applications (pp. 64-91). (New Developments in NMR). Royal Society of Chemistry. https://doi.org/10.1039/9781788019972-00064
Pileio, G. (2020). Chapter 7. Manipulating spin order by J-synchronised echo schemes. In G. Pileio (Ed.), Long-lived Nuclear Spin Order: Theory and Applications (pp. 136-150). (New Developments in NMR). Royal Society of Chemistry. https://doi.org/10.1039/9781788019972-00136
Brown, L. J. (2020). Design and synthesis of molecules supporting long-lived spin order. In G. Pileio (Ed.), Long-lived Nuclear Spin Order: Theory and Applications (22 ed., pp. 95-112). (New Developments in NMR; Vol. 2020-January, No. 22). Royal Society of Chemistry. https://doi.org/10.1039/9781788019972-00093
Coles, S. J., Allan, D. R., Beavers, C. M., Teat, S. J., & Holgate, S. J. W. (2020). Leading edge chemical crystallography service provision and its impact on crystallographic data science in the twenty-first century. In Structure and Bonding (pp. 1-72). Springer. https://doi.org/10.1007/430_2020_63
Levitt, M. H. (2020). Long-lived states in nuclear magnetic resonance: an overview. In G. Pileio (Ed.), Long-lived Nuclear Spin Order: Theory and Applications (22 ed., pp. 3-32). (New Developments in NMR; Vol. 2020-January, No. 22). Royal Society of Chemistry. https://doi.org/10.1039/9781788019972-00001
Bengs, C. (2020). Manipulation of singlet order by field-cycling. In G. Pileio (Ed.), Long-lived Nuclear Spin Order: Theory and Applications (22 ed., pp. 113-127). (New Developments in NMR; Vol. 2020-January, No. 22). Royal Society of Chemistry. https://doi.org/10.1039/9781788019972-00113
Kanza, S., & Frey, J. G. (2020). Semantic technologies in drug discovery — potential, practical, possibilities. In Reference Module in Biomedical Sciences (pp. 1-16). Elsevier. https://doi.org/10.1016/B978-0-12-801238-3.11520-X

Conferences

Omoarebun, P., Sanders, D., Ikwan, F., Hassan, M., Haddad, M., Thabet, M., Piner, J., & Shah, A. (2021). Intelligent monitoring using hazard identification technique and multi-sensor data fusion for crude distillation column. In K. Arai, S. Kapoor, & R. Bhatia (Eds.), Intelligent Systems and Applications - Proceedings of the 2020 Intelligent Systems Conference IntelliSys Volume 3 (pp. 730-741). (Advances in Intelligent Systems and Computing; Vol. 1252 AISC). Springer. https://doi.org/10.1007/978-3-030-55190-2_61
Ikwan, F., Sanders, D., Haddad, M., Hassan, M., Omoarebun, P., Thabet, M., Tewkesbury, G., & Vuksanovic, B. (2021). Intelligent risk prediction of storage tank leakage using an Ishikawa diagram with probability and impact analysis. In K. Arai, S. Kapoor, & R. Bhatia (Eds.), Intelligent Systems and Applications - Proceedings of the 2020 Intelligent Systems Conference IntelliSys Volume 3 (pp. 604-616). (Advances in Intelligent Systems and Computing; Vol. 1252 AISC). Springer. https://doi.org/10.1007/978-3-030-55190-2_45
Sanders, D., Haddad, M., Langner, M., Omoarebun, P., Chiverton, J., Hassan, M., Zhou, S., & Vatchova, B. (2021). Introducing time-delays to analyze driver reaction times when using a powered wheelchair. In K. Arai, S. Kapoor, & R. Bhatia (Eds.), Intelligent Systems and Applications. IntelliSys 2020 (pp. 559-570). (Advances in Intelligent Systems and Computing; Vol. 1252 AISC). Springer. https://doi.org/10.1007/978-3-030-55190-2_41
Omoarebun, P. O., Sanders, D., Haddad, M., Hassan Sayed, M., Tewkesbury, G., & Giasin, K. (2020). An intelligent monitoring system for a crude oil distillation column. In 2020 IEEE 10th International Conference on Intelligent Systems (IS) (pp. 159-164). [9200175] IEEE. https://doi.org/10.1109/IS48319.2020.9200175
Kimpton, H. J., Zhang, X., & Stulz, E. (2020). Decarbonising heating and hot water using solar thermal collectors coupled with thermal storage: The scale of the challenge. 25-34. Paper presented at 4th Annual CDT Conference in Energy Storage and Its Applications , Southampton, United Kingdom.
Arumugam, S., Li, Y., Pearce, J. E., Harrowven, D. C., Charlton, M., Tudor, M., & Beeby, S. (2020). Spray coated light emitting electrochemical cells on standard polyester cotton woven textiles. Paper presented at IEEE FLEPS 2020: IEEE International Conference on Flexible and Printable Sensors and Systems, Manchester, United Kingdom. https://www.youtube.com/watch?v=LKiRdtN1aGY
Shaw, A., Andritsch, T., Thakur, S., Brown, R. C. D., Langley, G. J., & Callender, G. (Accepted/In press). Techniques to monitor the aging of silicone oils. In 2020 IEEE 3rd International Conference on Dielectrics (ICD) IEEE.
Stewart, D., Azim, H., Parsons, J., Cossi, M., Miletto, I., Carravetta, M., Gianotti, E., & Raja, R. (2019). A modulated MOF-catalyst for enhanced CO2 utilisation leading to sustainable polymer synthesis. Abstract from International Zeolite Conference, Perth, Australia.
Logothetis, T. (2019). An interactive introduction to point groups. Poster session presented at 47th IUPAC World Chemistry Congress, Paris, France.

Creative Media and Artefacts

Wang, Z. (Author), Jefferies, B. (Author), Felstead, H. R. (Author), Wells, N. J. (Author), Chiarparin, E. (Author), & Linclau, B. (Author). (2019). A new straightforward method for lipophilicity (logP) measurement using 19F NMR spectroscopy. Digital or Visual Products, Journal of Visualized Experiments. https://doi.org/10.3791/58567

Letters/Editorials

Meddings, N., Judez, X., Li, C., & Garcia-Araez, N. (2020). A Highly Sensitive Electrochemical Sensor of Polysulfides in Polymer Lithium-Sulfur Batteries (vol 167, 080520, 2020): A highly sensitive electrochemical sensor of polysulfides in polymer lithium-sulfur batteries (Journal of the Electrochemical Society (2020) 167 (080520) DOI: 10.1149/1945-7111/ab8ce9). Journal of the Electrochemical Society, 167(10), [109003]. https://doi.org/10.1149/1945-7111/ab9d95
Skylaris, C. K., & Haynes, P. D. (2020). Erratum: Achieving plane wave accuracy in linear-scaling density functional theory applied to periodic systems: A case study on crystalline silicon (J. Chem. Phys. (2007) 127 (164712) DOI: 10.1063/1.2796168). Journal of Chemical Physics, 152(11), [119901]. https://doi.org/10.1063/5.0005883
To, T. B. T., Sluckin, T. J., & Luckhurst, G. R. (2020). Erratum: "Molecular field theory for biaxial smectic A liquid crystals" [J. Chem. Phys. 139, 134902 (2013). The Journal of Chemical Physics, 152(18), [0010693]. https://doi.org/10.1063/5.0010693
Catlow, C. R. A., Wells, P., & Gianolio, D. (2020). Synchrotron radiation techniques in catalytic science. Physical Chemistry Chemical Physics, 22(34), 18745-18746. https://doi.org/10.1039/d0cp90186e

Reports

Kanza, S. (Ed.), Frey, J. G. (Ed.), Pauli, M., & Brewer, S. J. (Ed.) (2020). AI3SD & IoFT AI for Allergen Detection and Smart Cleaning within Food Production Workshop Report 2019. (AI3SD-Event-Series; Vol. 14). University of Southampton. https://doi.org/10.5258/SOTON/P0019
Kanza, S. (Ed.), Frey, J. G. (Ed.), & Pauli, M. (2020). AI3SD AI4Good Workshop @ WebSci'20 Report 2020. (AI3SD-Event-Series; No. 18). University of Southampton. https://doi.org/10.5258/SOTON/P0026
Kanza, S., Jacobs, N., Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Interview with Dr Naomi Jacobs. (AI3SD-Interview-Series; No. 4). University of Southampton. https://doi.org/10.5258/SOTON/P0027
Pauli, M., Maurer, R. J., Kanza, S. (Ed.), Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Interview with Dr Reinhard Maurer. (AI3SD-Interview-Series; No. 5). University of Southampton. https://doi.org/10.5258/SOTON/P0028
Pauli, M., Stanford-Clark, A., Kanza, S. (Ed.), Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Interview with Professor Andy Stanford-Clark. (AI3SD-Interview-Series; No. 1). University of Southampton. https://doi.org/10.5258/SOTON/P0022
Warr, W., Overington, J., Kanza, S. (Ed.), Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Interview with Professor John Overington. (AI3SD-Interview-Series; No. 2). University of Southampton. https://doi.org/10.5258/SOTON/P0023
Frey, J. G., Kanza, S. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Interview with Professor Jonathan Goodman. (AI3SD-Interview-Series; No. 3). University of Southampton. https://doi.org/10.5258/SOTON/P0024
Pauli, M., Todd, M., Kanza, S. (Ed.), Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Interview with Professor Matthew Todd. (AI3SD-Interview-Series; No. 6). University of Southampton. https://doi.org/10.5258/SOTON/P0029
Pauli, M., Albrecht, T., Kanza, S. (Ed.), Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Interview with Professor Tim Albrecht. (AI3SD-Interview-Series; No. 7). University of Southampton. https://doi.org/10.5258/SOTON/P0030
Pauli, M., Kanza, S. (Ed.), & Frey, J. G. (Ed.) (2020). AI3SD Network+ Conference Report 2019. (AI3SD-Event-Series; No. 15). University of Southampton. https://doi.org/10.5258/SOTON/P0018
Warr, W., Kanza, S. (Ed.), Frey, J. G. (Ed.), & Whitby, R. J. (Ed.) (2020). AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction Conference Report 2020. (AI3SD-Event-Series; No. 17). University of Southampton. https://doi.org/10.5258/SOTON/P0021
Swain, C., Todd, M. (Ed.), Kanza, S. (Ed.), & Frey, J. G. (Ed.) (2020). AI3SD, OSM & RSC-CICAG Predicting the activity of Drug Candidates when there is no target Workshop Report. (AI3SD-Event-Series; No. 16). University of Southampton. https://doi.org/10.5258/SOTON/P0020
Kanza, S., Knight, N., Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). Failed it to nailed it! Getting data sharing right: Event 1 report - dealing with data: tips and tricks. (AI3SD-Event-Series; No. 19). University of Southampton. https://doi.org/10.5258/SOTON/P0032
Kanza, S., Knight, N., Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). Failed it to Nailed It! Getting Data Sharing Right: Event 2 Report - Data Standards. (AI3SD-Event-Series; No. 20). University of Southampton. https://doi.org/10.5258/SOTON/P0033
Kanza, S. (Ed.), Frey, J. G. (Ed.), Whitby, R. J. (Ed.), SMITH, GILLIAN. (Ed.), & Nguyen, B. (2019). AI & ML in Chemical Discovery & Development. (AI3SD-Event-Series; No. 13). University of Southampton. https://doi.org/10.5258/SOTON/P0017
Kanza, S. (Ed.), Warr, W., & Frey, J. G. (Ed.) (2019). AI3SD & MDC AI in Drug Discovery & Drug Safety Workshop Report 2019 . (AI3SD-Event-Series; No. 7). University of Southampton. https://doi.org/10.5258/SOTON/P0008
Kanza, S. (Ed.), Knight, N., Bird, C. L., & Frey, J. G. (Ed.) (2019). AI3SD AI in Materials Discovery Workshop Report 2019. (AI3SD-Event-Series; No. 8). University of Southampton. https://doi.org/10.5258/SOTON/P0009
Kanza, S. (Ed.), & Pauli, M. (2019). AI3SD Launch Report 2019. (AI3SD-Event-Series; No. 4). University of Southampton. https://doi.org/10.5258/SOTON/P0005

Reviews

Kanza, S., Bird, C. L., Niranjan, M., Mcneill, W., & Frey, J. G. (2021). The AI for Scientific Discovery Network+. Patterns, 2(1), [100162]. https://doi.org/10.1016/j.patter.2020.100162
Potter, M. E., Le Brocq, J. J. M., Oakley, A. E., McShane, E. B., Vandegehuchte, B. D., & Raja, R. (2020). Butane isomerization as a diagnostic tool in the rational design of solid acid catalysts. Catalysts, 10(9), [1099]. https://doi.org/10.3390/catal10091099
Troup, R. I., Fallan, C., & Baud, M. G. J. (2020). Current strategies for the design of PROTAC linkers: a critical review. Exploration of Targeted Anti-Tumor Therapy, 1, 273-312. https://doi.org/10.37349/etat.2020.00018
Linclau, B., Reichardt , N. C., Sollogoub, M., Unione, L., Vincent , S. P., & Jiménez-Barbero, J. (2020). Fluorinated carbohydrates as chemical probes for molecular recognition studies. Current status and perspectives. Chemical Society Reviews, 2020(49), 3863-3888. https://doi.org/10.1039/C9CS00099B
Chasov, V., Mirgayazova, R., Zmievskaya, E., Khadiullina, R., Valiullina, A., Stephenson Clarke, J. R., Rizvanov, A., Baud, M. G. J., & Bulatov, E. (2020). Key players in the mutant p53 team: small molecules, gene editing, immunotherapy. Frontiers in Oncology, 10, [1460]. https://doi.org/10.3389/fonc.2020.01460
Im, W., & Khalid, S. (2020). Molecular simulations of gram-negative bacterial membranes come of age. Annual Review of Physical Chemistry, 71, 171-188. https://doi.org/10.1146/annurev-physchem-103019-033434
Verma, P., J. Stewart, D., & Raja, R. (2020). Recent advances in photocatalytic CO2 utilisation over multifunctional metal–organic frameworks. Catalysts, 10(10), [1176]. https://doi.org/10.3390/catal10101176
Shafiee, S. A., Perry, S. C., Hamzah, H. H., Mahat, M. M., Al-lolage, F. A., & Ramli, M. Z. (2020). Recent advances on metal nitride materials as emerging electrochemical sensors: A mini review. Electrochemistry Communications, 120, [106828]. https://doi.org/10.1016/j.elecom.2020.106828
Kanza, S., & Frey, J. G. (2019). A new wave of innovation in semantic web tools for drug discovery. Expert Opinion on Drug Discovery, 14(5), 433-444. https://doi.org/10.1080/17460441.2019.1586880

Theses

Jamieson, E. M. G. (2020). Consequences of the mechanical bond in rotaxanes; novel reactivity and unusual chirality. University of Southampton.
Prince, J. P. (2020). Novel approaches to discovering inhibitors of essential bacterial enzymes. University of Southampton.
Shearer, J. (2020). The effects of model membrane complexity for the E.coli cell envelope. University of Southampton.
Evans, D. (2020). The synthesis of bioactive fluorinated bile acid analogues. University of Southampton.
Chapman, S. (2019). A spectroscopic investigation of the structure and interactions of hierarchical zeotype catalysts for the Beckmann Rearrangement. University of Southampton.
Eills, J. (2019). Advances in parahydrogen-enhanced nuclear magnetic resonance. University of Southampton.
Turner, J. M. (2019). Aerodynamic noise from undulated leading edge aerofoils. University of Southampton.
Zhang, M. (2019). Applications of metal nitride nanostructures in stabilising high energy and high capacity battery systems. University of Southampton.
Hale, W. G. (2019). Applications of microfluidics in nuclear magnetic resonance. University of Southampton.