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O'Connor, H. M., Sanz, S., Scott, A. J., Pitak, M., Klooster, W., Coles, S. J., Chilton, N. F., McInnes, E. J. L., Lusby, P. J., Weihe, H., Piligkos, S., & Brechin, E. K. (2021). [Cr^III₈Ni^II₆]n+ heterometallic coordination cubes. Molecules, 26(3), [757]. https://doi.org/10.3390/molecules26030757
Butler, I. R., Evans, D. M., Horton, P., Coles, S. J., & Murphy, P. J. (2021). 1,1′,2,2′-tetralithioferrocene and 1,1′,2,2′,3,3′-hexalithioferrocene: useful additions to ferrocene precursor compounds. Organometallics, 40, 600-606. https://doi.org/10.1021/acs.organomet.0c00702
Iali, W., Moustafa, G., Dagys, L., & Singha Roy, S. (2021). 15N hyperpolarisation of the antiprotozoal drug ornidazole by Signal Amplification By Reversible Exchange in aqueous medium. Magnetic Resonance in Chemistry. https://doi.org/10.1002/mrc.5144
Robinson, J., Xi, K., Ferrari, A. C. F., Au, H., Titirici, M-M., Parra-Puerto, A., Kucernak, A. R., Fitch, S., Garcia-Araez, N., Brown, Z. L., Pasta, M., Furness, L., Kibler, A. J., Walsh, D. A., Johnson, L. R., Holc, C., Newton, G. N., Champness, N. R., Markoulidis, F., ... Shearing, P. R. (2021). 2021 roadmap on lithium sulfur batteries. Journal of Physics: Energy. https://doi.org/10.1088/2515-7655/abdb9a
Hoffman, G., Walkey, M. C., Gräsvik, J., Bacanu, G. R., Alom, S., Bloodworth, S., Light, M. E., Levitt, M. H., & Whitby, R. J. (2021). A solid state intramolecular Wittig reaction enables efficient synthesis of endofullerenes including Ne@C60, 3He@C60 and HD@C60. Angewandte Chemie International Edition, 60(16), 8960-8966. https://doi.org/10.1002/anie.202100817
Verma, P., Potter, M., Oakley, A. E., Mhembere, P. M., & Raja, R. (2021). Bimetallic PdAu catalysts within hierarchically porous architectures for aerobic oxidation of benzyl alcohol. Nanomaterials, 11(2), [350]. https://doi.org/10.3390/nano11020350
Gao, Y., Lee, J., Smith, I. P. S., Lee, H., Kim, S., Qi, Y., Klauda, J. B., Widmalm, G., Khalid, S., & Im, W. (2021). CHARMM-GUI supports hydrogen mass repartitioning and different protonation states of phosphates in lipopolysaccharides. Journal of Chemical Information and Modeling, 61(2), 831-839. https://doi.org/10.1021/acs.jcim.0c01360
Cadden, J., Gupta, K. M., Kanaujia, P., Coles, S. J., & Aitipamula, S. (2021). Cocrystal formulations: Evaluation of the impact of excipients on dissolution by molecular simulation and experimental approaches. Crystal Growth & Design, 21(2), 1006-1018. https://doi.org/10.1021/acs.cgd.0c01351
Cammidge, A. N., Alkorbi , F., Díaz-Moscoso, A., Gretton, J., Chambrier, I., Tizzard, G. J., Coles, S. J., & Hughes, D. L. (2021). Complementary syntheses giving access to a full suite of differentially substituted phthalocyanine‐porphyrin hybrids. Angewandte Chemie International Edition, 60(14), 7632-7636. https://doi.org/10.1002/anie.202016596
Lloyd, B. P., Bartlett, P. N., & Wood, R. (2021). Complete electrolytic plastron recovery in a low drag superhydrophobic surface. ACS Omega, 6(5), 3483–3489. https://doi.org/10.1021/acsomega.0c03466
Montis, R., Fusaro, L., Falqui, A., Hursthouse, M., Tumanov, N., Coles, S. J., Threlfall, T. L., Horton, P., Sougrat, R., Lafontaine, A., Coquerel, G., & Rae, A. D. (2021). Complex structures arising from the self-assembly of a simple organic salt. Nature, 590(7845), 275-278. https://doi.org/10.1038/s41586-021-03194-y
Devitt, G., Crisford, A., Rice, W., Weismiller, H. A., Fan, Z., Commins, C., Hyman, B. T., Margittai, M., Mahajan, S., & Mudher, A. (2021). Conformational fingerprinting of tau variants and strains by Raman spectroscopy. RSC Advances, 11(15), 8899-8915 . https://doi.org/10.1039/d1ra00870f
Foster, A. D., Chung, C., Hann, M. M., Simpson, G. L., & Tavassoli, A. (2021). Development of a fluorescent three‐hybrid system for the identification of protein‐protein associators. Peptide Science, 113(1), [e24178]. https://doi.org/10.1002/pep2.24178
Celorrio, V., Tiwari, D., Calvillo, L., Leach, A., Huang, H., Granozzi, G., Alonso, J. A., Aguadero, A., Pinacca, R. M., Russell, A. E., & Fermin, D. J. (2021). Electrocatalytic site activity enhancement via orbital overlap in A₂MnRuO₇(A = Dy³⁺, Ho³⁺, and Er³⁺) pyrochlore nanostructures. ACS Applied Energy Materials, 4(1), 176-185. https://doi.org/10.1021/acsaem.0c02060
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
Yang, S., & Day, G. M. (2021). Exploration and optimization in crystal structure prediction: combining basin hopping with quasi-random sampling. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.0c01101
Meazza, M., & Rios, R. (2021). Highly regio- and enantioselective organocatalytic γ-allylic alkylation of quinolines. Advanced Synthesis and Catalysis, 363(5), 1341-1345. https://doi.org/10.1002/adsc.202001213
Perry, S. C., Mavrikis, S., Wegener, M., Nazarovs, P., Wang, L., & Ponce De Leon, C. (2021). Hydrophobic thiol coatings to facilitate a triphasic interface for carbon dioxide reduction to ethylene at gas diffusion electrodes. Faraday Discussions. https://doi.org/10.1039/D0FD00133C
Lizio, M. G., Campana, M., De Poli , M., Jefferies, D. F., Cullen, W., Andrushchenko, V., Chmel, N. P., Bouř, P., Khalid, S., Clayden, J., Blanch, E., Rodger, A., & Webb, S. J. (2021). Insight into mechanism of action and peptide-membrane interactions of Aib-rich peptides: multi-technique experimental and theoretical analysis. ChemBioChem. https://doi.org/10.1002/cbic.202000834
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
Birkin, P. R., Lear, R., Webster, L., Powell, L., & Martin, H. L. (2021). In-situ detection of single particle impact, erosion/corrosion and surface roughening. Wear, 464-465, [203527]. https://doi.org/10.1016/j.wear.2020.203527
Stuikys, A., Zaghari, B., & Sykulski, J. K. (2021). Instantaneous electromagnetic torque waveform calculations for switched reluctance machines exploiting vector analysis. IEEE Transactions on Magnetics, 57(1), [9241795]. https://doi.org/10.1109/TMAG.2020.3034565, https://doi.org/10.1109/TMAG.2020.3034565
Sun, Y., Fang, H., Lin, X., Wang, X., Chen, G., Wang, X., Tian, Z., Yang, L., Utz, M., & Cao, X. (2021). Kinetic Investigation of a Cucurbit[7]uril-Based Pseudo[6]rotaxane System by Microfluidic NMR. CCS Chemistry. https://doi.org/10.31635/ccschem.021.202100773
Bimbo, N., Smith, J. P., Aggarwal, H., Physick, A. J., Pugsley, A., Barbour, L. J., Ting, V. P., & Mays, T. J. (2021). Kinetics and enthalpies of methane adsorption in microporous materials AX-21, MIL-101 (Cr) and TE7. Chemical Engineering Research and Design, 169, 153-164. https://doi.org/10.1016/j.cherd.2021.03.003
Mei, X., Dai, Z., Darby, S. E., Zhang, M., Cai, H., Wang, J., & Wei, W. (2021). Landward shifts of the maximum accretion zone in the tidal reach of the Changjiang estuary following construction of the Three Gorges Dam. Journal of Hydrology, 592, [125789]. https://doi.org/10.1016/j.jhydrol.2020.125789
Robinson, F., Newbrook, D. W., Curran, P., De Groot, K., Hardie, D., Hector, A. L., Huang, R., & Reid, G. (2021). Low temperature CVD of thermoelectric SnTe thin films from the single source precursor, [nBu3Sn(TenBu)]. Dalton Transactions, 50(3), 998-1006. https://doi.org/10.1039/D0DT03760E
Mao, D., Griffin, J. M., Dawson, R., Fairhurst, A., & Bimbo, N. (2021). Metal organic frameworks for hydrogen purification. International Journal of Hydrogen Energy. https://doi.org/10.1016/j.ijhydene.2020.12.181
Plata, M., Hale, W. G., Sharma, M., Werner, J., & Utz, M. (2021). Microfluidic platform for serial mixing experiments with in operando nuclear magnetic resonance spectroscopy. Lab on a Chip. https://doi.org/10.1039/D0LC01100B
Thiele, C. J., Hudson, M., Russell, A. E., Saluveer, M., & Sidaoui-Haddad, G. (2021). Microplastics in fish and fishmeal: an emerging environmental challenge? Scientific Reports, 11(1), [2045]. https://doi.org/10.1038/s41598-021-81499-8
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
Sharma, A., Goring, A. L., Johnson, P., Boyde, A., Emery, R. J., Hesse, E., Olsen, B., Pitsillides, A. A., Oreffo, R., Mahajan, S., & Clarkin, C. (Accepted/In press). Multiscale molecular profiling of pathological bone resolves sexually dimorphic control of extracellular matrix composition. Disease Models and Mechanisms. https://doi.org/10.1242/dmm.048116
Verma, P., Mori, K., Kuwahara, Y., Raja, R., & Yamashita, H. (2021). Plasmonic nanocatalysts for visible-NIR light induced hydrogen generation from storage materials. Materials Advances, 2(3), 880-906. https://doi.org/10.1039/D0MA00761G
Jakdetchai, O., Eberhardt, P., Asido, M., Kaur, J., Kriebel, C. N., Mao, J., Leeder, A. J., Brown, L. J., Brown, R. C. D., Becker-Baldus, J., Bamann, C., Wachtveitl, J., & Glaubitz, C. (Accepted/In press). Probing the photointermediates of light-driven sodium ion pump KR2 by DNP-enhanced solid-state NMR. Science Advances.
Mavrikis, S., Perry, S. C., Leung, P. K. K., Wang, L., & Ponce De Leon Albarran, C. (2021). Recent advances in electrochemical water oxidation to produce hydrogen peroxide: A mechanistic perspective. ACS Sustainable Chemistry & Engineering, 9(1), 76-91. https://doi.org/10.1021/acssuschemeng.0c07263
Takahashi, T., Herdzik, K. P., Bourdakos, K., Read, J. A., & Mahajan, S. (Accepted/In press). Selective imaging of microplastic and organic particles in flow by multimodal coherent anti-Stokes Raman scattering and two-photon excited autofluorescence analysis. Analytical Chemistry.
Suruzhon, M., Bodnarchuk, M. S., Ciancetta, A., Viner, R., Wall, I. D., & Essex, J. W. (2021). Sensitivity of binding free energy calculations to initial protein crystal structure. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.0c00972
Troup, R. I., Jeffries, B. F. J., El Bekri-Saudain, R. B. T., Georgiou, E., Fish, J., Scott, J. S., Chiarparin, E., Fallan, C., & Linclau, B. (2021). Skipped fluorination motifs: synthesis of building blocks, and comparison of lipophilicity trends with vicinal and isolated fluorination motifs. Journal of Organic Chemistry, 86(2), 1882–1900. https://doi.org/10.1021/acs.joc.0c02810
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
Meazza, M., Cruz, C. M., Ortuño, A. M., Cuerva, J. M., Crovetto, L., & Rios, R. (2021). Studying the reactivity of alkyl substituted BODIPY. First enantioselective addition of BODIPY to MBH carbonates. Chemical Science. https://doi.org/10.1039/D0SC06574A
Johnson, P., Karvounis, A., Singh, H. J., Brereton, C. J., Bourdakos, K., Lunn, K., Roberts, J. J. W., Davies, D., Muskens, O., Jones, M., & Mahajan, S. (Accepted/In press). Super-resolved polarisation-enhanced second harmonic generation for direct imaging of nanoscale changes in collagen architecture. Optica.
Pu, Y., Celorrio, V., Stockmann, J. M., Sobol, O., Sun, Z., Wang, W., Lawrence, M. J., Radnik, J., Russell, A. E., Hodoroaba, V-D., Huang, L., & Rodriguez, P. (Accepted/In press). Surface galvanic formation of Co-OH on Birnessite and its catalytic activity for the oxygen evolution reaction. Journal of Catalysis.
Picci, G., Milia, J., Aragoni, M. C., Arca, M., Coles, S. J., Garau, A., Lippolis, V., Montis, R., Orton, J., & Caltagirone, C. (2021). Switching-on fluorescence by copper (II) and basic anions: A case study with a pyrene-functionalized squaramide. Molecules, 26(5), [1301]. https://doi.org/10.3390/molecules26051301
Jose, A., Tareque, R. K., Mortensen, M., Legay, R., Coles, S. J., Tizzard, G. J., Greenland, B. W., Smart, T. G., Bagley, M. C., & Spencer, J. (2021). Synthesis and biological evaluation of benzodiazepines containing a pentafluorosulfanyl group. Tetrahedron, 85, [132020]. https://doi.org/10.1016/j.tet.2021.132020
Smith, D., Levason, W., Powell, J., & Reid, G. (2021). Synthesis, properties and structural features of molybdenum(V) oxide trichloride complexes with neutral chalcogenoether ligands. Dalton Transactions, 50(12), 4380-4389. https://doi.org/10.1039/D1DT00038A
Rodriguez Martinez, O., & Denuault, G. (2021). The electron transfer kinetics of adsorbed species derived by sampled current voltammetry. Journal of Electroanalytical Chemistry, 882, [115021]. https://doi.org/10.1016/j.jelechem.2021.115021
Kimpton, H. J., Zhang, X., & Stulz, E. (Accepted/In press). The temperature stability and development of a broadband silver nanofluid for solar thermal applications. Energy Reports.
Minns, R., Warne, E. M., Smith, A. D., Horke, D., Springate, E., Jones, A., Cacho, C., & Chapman, R. (2021). Time resolved detection of the S(¹D) product of the UV induced dissociation of CS2. The Journal of Chemical Physics, 154(3), [034302]. https://doi.org/10.1063/5.0035045
Patra, B., Sharma, M., Hale, W. G., & Utz, M. (2021). Time-resolved non-invasive metabolomic monitoring of a single cancer spheroid by microfluidic NMR. Scientific Reports, 11(1), [53].
Rattu, P., Belzunces, B., Haynes, T., Skylaris, C-K., & Khalid, S. (2021). Translocation of flexible and tensioned ssDNA through in silico designed hydrophobic nanopores with two constrictions. Nanoscale, 13(3), 1673-1679. https://doi.org/10.1039/D0NR04890A
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
Kyrimis, S., Potter, M. E., Raja, R., & Armstrong, L-M. (2021). Understanding catalytic CO2 and CO conversion into methanol using computational fluid dynamics. Faraday Discussions. https://doi.org/10.1039/D0FD00136H
Arumugam, S., Pearce, J. E., Charlton, M., Tudor, J., Harrowven, D. C., & Beeby, S. (2021). Visible and ultraviolet Light emitting electrochemical cells realised on woven textiles. Proceedings, 68 (1)(9). https://doi.org/10.3390/proceedings2021068009
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
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
Read, D., & Kaiser, N. (2020). Building pedagogical content knowledge. Education in Chemistry, 57(5), 16-18. https://edu.rsc.org/feature/how-to-build-pedagogical-content-knowledge/4012183.article
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
Dagys, L., Klimkevičius, V., Klimavicius, V., Balčiūnas, S., Banys, J., & Balevicius, V. (2020). Cross-polarization with magic-angle spinning kinetics and impedance spectroscopy study of proton mobility, local disorder, and thermal equilibration in hydrogen-bonded poly(methacrylic acid). Journal of Polymer Science, 58(23), 3253-3263. https://doi.org/10.1002/pol.20200592
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. M., & Raja, R. (Accepted/In press). Designing bimetallic active centres in microporus architectures for synergistic catalysis’. Frontiers in Chemistry. https://doi.org/10.3389/fchem.2020.00171
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
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
Writing Committee for the REMAP-CAP Investigators (2020). Effect of Hydrocortisone on Mortality and Organ Support in Patients With Severe COVID-19: The REMAP-CAP COVID-19 Corticosteroid Domain Randomized Clinical Trial. JAMA, 324(13), 1317-1329. https://doi.org/10.1001/jama.2020.17022
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
Mays, S. G., Stec, J., Liu, X., D’Agostino, E. H., Whitby, R. J., & Ortlund, E. A. (2020). Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist. Scientific Reports, 10, 1-14. [22279]. https://doi.org/10.1038/s41598-020-79251-9
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.
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
Thomas, S., Mallet, J., Bahuleyan, B. K., & Molinari, M. (2020). Growth of homogeneous luminescent silicon-terbium nanowires by one-step electrodeposition in ionic liquids. Nanomaterials, 10(12), 1-9. [2390]. https://doi.org/10.3390/nano10122390
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.
Potter, M. E., Stewart, D. J., Ignatyev, K., Bradley, T., Sazio, P. J. A., & Raja, R. (2020). Incorporating metal organic frameworks within microstructured optical fibers toward scalable photoreactors. Advanced Optical Materials, 2001421. https://doi.org/10.1002/adom.202001421
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, 12(3), 905-910. https://doi.org/10.1039/D0SC05360K
Matam, S. K., Moffat, C., Hellier, P., Bowker, M., Silverwood, I. P., Catlow, C. R. A., David Jackson, S., Craswell, J., Wells, P. P., Parker, S. F., & Gibson, E. K. (2020). Investigation of MoO_x/Al₂O₃ under cyclic operation for oxidative and non-oxidative dehydrogenation of propane. Catalysts, 10(12), 1-13. [1370]. https://doi.org/10.3390/catal10121370
Elgar, C. E., Otaif, H. Y., Zhang, X., Zhao, J., Horton, P., Coles, S. J., Beames, J. M., & Pope, S. J. A. (Accepted/In press). Iridium(III) sensitisers and energy upconversion: the influence of ligand structure upon TTA-UC performance. Chemistry - A European Journal. https://doi.org/10.1002/chem.202004146
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., 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., Minns, R., 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
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
Garau, A., Lvova, L., MacEdi, E., Ambrosi, G., Aragoni, M. C., Arca, M., Caltagirone, C., Coles, S. J., Formica, M., Fusi, V., Giorgi, L., Isaia, F., Lippolis, V., Orton, J. B., & Paolesse, R. (2020). N₂S₂pyridinophane-based fluorescent chemosensors for selective optical detection of Cd²⁺in soils. New Journal of Chemistry, 44(47), 20834-20852. https://doi.org/10.1039/d0nj03858j
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)center dot 11H(2)O, [Ni(phen)(3)][B7O9(OH)(5)]center dot 9.5H(2)O and [Zn(dac)(2)(H2O)(2)][B7O9(OH)(5)]center dot 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
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
Dziedzic, J., Bhandari, A., Anton, L., Peng, C., Womack, J. C., Famili, M., Kramer, D., & Skylaris, C-K. (2020). Practical approach to large-scale electronic structure calculations in electrolyte solutions via continuum-embedded linear-scaling density functional theory. The Journal of Physical Chemistry C, 124(14), 7860-7872. https://doi.org/10.1021/acs.jpcc.0c00762
Chapman, S., Carravetta, M., Miletto, I., Doherty, C., Dixon, H., Taylor, J., Gianotti, E., Yu, J., & Raja, R. (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. 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
Suruzhon, M., Senapathi, T., Bodnarchuk, M. S., Viner, R., Wall, I. D., Barnett, C. B., Naidoo, K. J., & Essex, J. W. (2020). ProtoCaller: robust automation of binding free energy calculations. Journal of Chemical Information and Modeling, 60(4), 1917-1921. https://doi.org/10.1021/acs.jcim.9b01158
Baksh, P., Odstrčil, M., Miszczak, M., Pooley, C., Chapman, R., Wyatt, A., Springate, E., Chad, J., Deinhardt, K., Frey, J. G., & Brocklesby, W. (2020). Quantitative and correlative extreme ultraviolet coherent imaging of mouse hippocampal neurons at high resolution: Extreme ultraviolet coherent imaging of neurons. Science Advances, 6(18), [eaaz3025]. https://doi.org/10.1126/sciadv.aaz3025
Garcia, S. B., Herniman, J., Birkin, P. R., Pilgrim, J., Lewin, P., Wilson, G., Langley, G. J., & Brown, R. C. D. (2020). Quantitative UHPSFC-MS analysis of elemental sulfur in mineral oil via derivatization with triphenylphosphine: Application to corrosive sulfur-related power transformer failure. Analyst, 145(14), 4782-4786. https://doi.org/10.1039/D0AN00602E
Sebadelhe Valerio Neto, E., Almeida, C. V. S., Russell, A. E., Salazar-Banda, G. R., & Eguiluz, K. I. B. (2020). Realising the activity benefits of Pt preferential (111) surfaces for ethanol oxidation in a nanowire electrocatalyst. Electrochimica Acta, 348, [136206]. https://doi.org/10.1016/j.electacta.2020.136206

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

Conferences

Day, G. M., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2021). AI3SD Video: Accelerating structure prediction models for materials discovery. AI3SD Winter Seminar Series, Online, . https://doi.org/10.5258/SOTON/P0074
Grundy, J., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2021). AI3SD Video: Outlier detection in Scientific Discovery. AI3SD Winter Seminar Series, Online, . https://doi.org/10.5258/SOTON/P0081
Kanza, S., Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2021). AI3SD Video: Semantic Web in Scientific Research – Possibilities & Practices. AI3SD Winter Seminar Series, Online, . https://doi.org/10.5258/SOTON/P0078
Cancho Gonzalez, S., Ferguson, P., Osborne, M., Herniman, J., & Langley, G. J. (2021). Characterisation and quantitation of PEG-based polymeric excipients and impurities using UHPSFC-MS.
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
Stark, I., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Love notes to the future: the importance of metadata. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0067
Hey, T., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: AI for Science: Transforming Scientific Research. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0053
Vannuccini, S., Prytkova, E., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Artificial Intelligence’s new clothes? From General Purpose Technology to Large Technical System. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0051
Immanuel-Bittner, M., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Data Generation, Data Standards and Metadata Capture in Drug Discovery. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0064
Voznik, M., Kanza, S., Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Data legislation, personal and non-personal data, ethical issues and protecting your IP rights. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0060
Callaghan, S., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Data publication – a personal tale. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0062
Jacobs, N., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Design Fiction as a Method, and why we might use it to consider AI.. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0048
Warne, M., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Digitising your Chemistry for Recordability, Shareabilty and Reproducibility. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0069
Gale, E., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Dimensionality in chemistry: using multidimensional data for machine learning. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0050
Overington, J., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Drug Repositioning for COVID-19. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0046
Beckles, Z., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Ethical data management – balancing individual privacy and public benefit. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0059
Gutteridge, C., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Giving your Open Data the best chance to realise its potential. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0065
Goodman, J., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: InChI: Measuring the Molecules. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0047
Nurmikko-Fuller , T., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Linked Data – Examples and Heuristics. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0066
Deane, C., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Machine Learning for Early Stage Drug Discovery. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0056
Mcneill, W., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Neural Networks and Explanatory Opacity. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0049
Membrillo Solis, I., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: New theoretical and data-driven approaches to the study of molecular conformational spaces and energy landscapes. AI3SD Winter Seminar Series, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0088
Prytkova, E., Vannuccini, S., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: On the Basis of Brain: Neural–Network–Inspired Changes in General Purpose Chips. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0055
Overington, J., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Pitfalls and Gotcha’s with bioactivity data. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0068
Darbyshire, T., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Practical Ethics for Data Science and Algorithm Design. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0061
Cope, J., Kanza, S. (Ed.), Frey, J. G. (Ed.), Hooper, V. (Ed.), & Knight, N. (Ed.) (2020). AI3SD Video: Publishing and Citing Data in Practice. AI3SD, PSDS & Patterns Failed it to Nailed it: Getting Data Sharing Right Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0063
Watson, N., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Smart Cleaning & COVID-19. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0057
Hiscock, J. R., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Supramolecular Antimicrobials – the next target for AI/Machine Learning?. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0054
Dennis, L., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: The Bluffers Guide to Symbolic AI. AI3SD Summer Seminar Series 2020, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0058
Brodzki, J., Kanza, S. (Ed.), Frey, J. G. (Ed.), Niranjan, M. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Video: Topology: From shapes to numbers. AI3SD Winter Seminar Series, Southampton, United Kingdom. https://doi.org/10.5258/SOTON/P0089
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.

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

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
Albrecht, T., Vladyka, A., Kanza, S. (Ed.), Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Project: Application of Capsule Net for automated DNA sequencing using tunnelling spectroscopy. (AI3SD-Project-Series; No. 1). University of Southampton. https://doi.org/10.5258/SOTON/P0036
McSloy, A., Maurer, R. J., Kanza, S. (Ed.), Frey, J. G. (Ed.), & Hooper, V. (Ed.) (2020). AI3SD Project: Deep-Learning-Enhanced Quantum Chemistry: Pushing the Limits of Materials Discovery. (AI3SD-Project-Series; No. 2). University of Southampton. https://doi.org/10.5258/SOTON/P0041
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., Knight, N., & Frey, J. G. (Ed.) (2020). Failed it to Nailed It! Getting Data Sharing Right: Event 3 Report - Responsible Data Management. (AI3SD-Event-Series; No. 21). University of Southampton. https://doi.org/10.5258/SOTON/P0034

Reviews

Huang, H., & Russell, A. E. (2021). Approaches to achieve surface sensitivity in the in situ XAS of electrocatalysts. Current Opinion in Electrochemistry, 27, 1-10. [100681]. https://doi.org/10.1016/j.coelec.2020.100681
Smith, M. E. (Accepted/In press). Recent progress in solid-state nuclear magnetic resonance of half-integer spin low-γ quadrupolar nuclei applied to inorganic materials. Magnetic Resonance in Chemistry. https://doi.org/10.1002/mrc.5116
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
Chambers, G. E., Sayan, A. E., & Brown, R. C. D. (2021). The synthesis of biologically active indolocarbazole natural products. Natural Product Reports. https://doi.org/10.1039/D0NP00096E
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
Lister, A. P., Sellors, W. J., Howle, C. R., & Mahajan, S. (2020). Raman scattering techniques for defense and security applications. Analytical Chemistry, 93(1), 417–429. https://doi.org/10.1021/acs.analchem.0c04606
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

Theses

Dodd, E. (2020). A systematic study into the influence of aromatic stacking interactions and fluorine substituent effects on molecular organic crystal assembly. University of Southampton.
Lingaityte, D. (2020). Characterisation of complex MDI oligomers using supercritical fluid chromatography and mass spectrometry. University of Southampton.
Jamieson, E. M. G. (2020). Consequences of the mechanical bond in rotaxanes; novel reactivity and unusual chirality. University of Southampton.
Smith, D. E. (2020). Coordination Chemistry of high valent early transition metals with neutral donor ligands: towards precursors for the electrodeposition and LPCVD of molybdenum and tungsten dichalcogenides. University of Southampton.
Furness, L. M. (2020). Development of analytical techniques for lithium-sulfur batteries. University of Southampton.
Entwistle, L. L. (2020). Exploring the cytotoxicity of DNA nanopores for treatment of Melanoma. University of Southampton.
McDonagh, D. (2020). Fragment-based energy models and machine learning methods for the computational study of organic molecular crystals. University of Southampton.
Warne, E. M. (2020). Measuring molecular dynamics using UV and XUV photoelectron spectroscopy. University of Southampton.
Bengs, C. (2020). Non-equilibrium nuclear spin states. University of Southampton.
Prince, J. P. (2020). Novel approaches to discovering inhibitors of essential bacterial enzymes. University of Southampton.
Iborra Torres, A. (2020). Perovskite oxynitrides of tantalum, titanium and niobium and their solid solutions as self-cleaning coatings. University of Southampton.
Linfield, S. (2020). Preparation of glass nanopores for the coulter counting of transient nanobubbles. University of Southampton.