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Number of items: 153.

Article

Aliev, AE; Courtier-Murias, D; (2014) Water scaffolding in collagen: Implications on protein dynamics as revealed by solid-state NMR. Biopolymers , 101 (3) pp. 246-256. 10.1002/bip.22330.

Aliev, AE; Kulke, M; Khaneja, HS; Chudasama, V; Sheppard, TD; Lanigan, RM; (2014) Motional timescale predictions by molecular dynamics simulations: Case study using proline and hydroxyproline sidechain dynamics. Proteins , 82 (2) pp. 195-215. 10.1002/prot.24350.

Anderson, JC; Campbell, IB; Campos, S; Shannon, J; (2014) Diastereoselective synthesis of beta-aminosulfones from the 1,2-addition to N-(para-methoxyphenyl) imines. TETRAHEDRON LETTERS , 55 (52) 7206 - 7208. 10.1016/j.tetlet.2014.11.017.

Anderson, JC; Grounds, H; Reeves, S; Taylor, PW; (2014) Improved synthesis of structural analogues of (-)-epicatechin gallate for modulation of staphylococcal β-lactam resistance. Tetrahedron , 70 (21) 3485 - 3490. 10.1016/j.tet.2014.03.052.

Anderson, JC; Kalogirou, AS; Tizzard, GJ; (2014) Conjugate addition nitro-Mannich reaction of carbon and heteroatom nucleophiles to nitroalkenes. Tetrahedron , 70 (49) 9337 - 9351. 10.1016/j.tet.2014.10.042.

Ashton, TE; Laveda, JV; MacLaren, DA; Baker, PJ; Porch, A; Jones, MO; Corr, SA; (2014) Muon studies of Li+ diffusion in LiFePO4 nanoparticles of different polymorphs. Journal of Materials Chemistry A , 2 (17) pp. 6238-6245. 10.1039/c4ta00543k.

Beale, AM; Gibson, EK; O'Brien, MG; Jacques, SDM; Cernik, RJ; Di Michiel, M; Cobden, PD; ... Weckhuysen, BM; + view all Beale, AM; Gibson, EK; O'Brien, MG; Jacques, SDM; Cernik, RJ; Di Michiel, M; Cobden, PD; Pirgon-Galin, O; van de Water, L; Watson, MJ; Weckhuysen, BM; - view fewer (2014) Chemical imaging of the sulfur-induced deactivation of Cu/ZnO catalyst bodies. JOURNAL OF CATALYSIS , 314 94 - 100. 10.1016/j.jcat.2014.04.007.

Beale, AM; Jacques, SDM; Gibson, EK; Di Michiel, M; (2014) Progress towards five dimensional diffraction imaging of functional materials under process conditions. COORDINATION CHEMISTRY REVIEWS , 277 208 - 223. 10.1016/j.ccr.2014.05.008.

Berardo, E; Hu, H-S; van Dam, HJJ; Shevlin, SA; Woodley, SM; Kowalski, K; Zwijnenburg, MA; (2014) Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT. JOURNAL OF CHEMICAL THEORY AND COMPUTATION , 10 (12) 5538 - 5548. 10.1021/ct500787x.

Berardo, E; Hu, HS; Shevlin, SA; Woodley, SM; Kowalski, K; Zwijnenburg, MA; (2014) Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description. J Chem Theory Comput , 10 (3) 1189 - 1199. 10.1021/ct4010273.

Bernabeu, MO; Jones, ML; Nielsen, JH; Krüger, T; Nash, RW; Groen, D; Schmieschek, S; ... Coveney, PV; + view all Bernabeu, MO; Jones, ML; Nielsen, JH; Krüger, T; Nash, RW; Groen, D; Schmieschek, S; Hetherington, J; Gerhardt, H; Franco, CA; Coveney, PV; - view fewer (2014) Computer simulations reveal complex distribution of haemodynamic forces in a mouse retina model of angiogenesis. J R Soc Interface , 11 (99) , Article 20140543. 10.1098/rsif.2014.0543.

Borgdorff, J; Ben Belgacem, M; Bona-Casas, C; Fazendeiro, L; Groen, D; Hoenen, O; Mizeranschi, A; ... Chopard, B; + view all Borgdorff, J; Ben Belgacem, M; Bona-Casas, C; Fazendeiro, L; Groen, D; Hoenen, O; Mizeranschi, A; Suter, JL; Coster, D; Coveney, PV; Dubitzky, W; Hoekstra, AG; Strand, P; Chopard, B; - view fewer (2014) Performance of distributed multiscale simulations. Philos Trans A Math Phys Eng Sci , 372 (2021) 10.1098/rsta.2013.0407.

Braun, DE; McMahon, JA; Koztecki, LH; Price, SL; Reutzel-Edens, SM; (2014) Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape. CRYSTAL GROWTH & DESIGN , 14 (4) 2056 - 2072. 10.1021/cg500185h.

Brookes, C; Wells, PP; Dimitratos, N; Jones, W; Gibson, EK; Morgan, DJ; Cibin, G; ... Bowker, M; + view all Brookes, C; Wells, PP; Dimitratos, N; Jones, W; Gibson, EK; Morgan, DJ; Cibin, G; Nicklin, C; Mora-Fonz, D; Scanlon, DO; Catlow, CRA; Bowker, M; - view fewer (2014) The Nature of the Molybdenum Surface in Iron Molybdate. The Active Phase in Selective Methanol Oxidation. JOURNAL OF PHYSICAL CHEMISTRY C , 118 (45) pp. 26155-26161. 10.1021/jp5081753.

Buckeridge, J; Catlow, CRA; Scanlon, DO; Keal, TW; Sherwood, P; Miskufova, M; Walsh, A; ... Sokol, AA; + view all Buckeridge, J; Catlow, CRA; Scanlon, DO; Keal, TW; Sherwood, P; Miskufova, M; Walsh, A; Woodley, SM; Sokol, AA; - view fewer (2014) Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals. Physical Review Letters , 114 , Article 016405 . 10.1103/PhysRevLett.114.016405.

Burns, JR; Al-Juffali, N; Janes, SM; Howorka, S; (2014) Membrane-Spanning DNA Nanopores with Cytotoxic Effect. Angew Chem Int Ed Engl , 53 (46) pp. 12466-12470. 10.1002/anie.201405719.

Butchosa, Cristina; McDonald, Tom O; Cooper, Andrew I; Adams, Dave J; Zwijnenburg, Martijn A; (2014) Shining a Light on s-Triazine-Based Polymers. Journal of Physical Chemistry C , 118 (8) pp. 4314-4324. 10.1021/jp411854f.

Butchosa, C; Guiglion, P; Zwijnenburg, MA; (2014) Carbon Nitride Photocatalysts for Water Splitting: A Computational Perspective. JOURNAL OF PHYSICAL CHEMISTRY C , 118 (43) 24833 - 24842. 10.1021/jp507372n.

Chavda, JK; Procopiou, PA; Horton, PN; Coles, SJ; Porter, MJ; (2014) Synthetic Studies Towards the Core Structure of Nakadomarin A by a Thioamide-Based Strategy. European Journal Of Organic Chemistry , 2014 (1) 129 - 139. 10.1002/ejoc.201301063.

Chierico, L; Joseph, AS; Lewis, AL; Battaglia, G; (2014) Live cell imaging of membrane / cytoskeleton interactions and membrane topology. Scientific Reports , 4 , Article 6056. 10.1038/srep06056.

Colchester, RJ; Mosse, CA; Bhachu, DS; Bear, JC; Carmalt, CJ; Parkin, IP; Treeby, BE; ... Desjardins, AE; + view all Colchester, RJ; Mosse, CA; Bhachu, DS; Bear, JC; Carmalt, CJ; Parkin, IP; Treeby, BE; Papakonstantinou, I; Desjardins, AE; - view fewer (2014) Laser-generated ultrasound with optical fibres using functionalised carbon nanotube composite coatings. APPLIED PHYSICS LETTERS , 104 (17) , Article ARTN 173502. 10.1063/1.4873678.

Coreno, M; de Simone, M; Green, JC; Kaltsoyannis, N; Coates, R; Hunston, C; Narband, N; Coreno, M; de Simone, M; Green, JC; Kaltsoyannis, N; Coates, R; Hunston, C; Narband, N; Sella, A; - view fewer (2014) Variable photon energy photoelectron spectroscopy of tris-cyclopentadienyl lanthanides. Dalton Trans , 43 (13) 5134 - 5141. 10.1039/c3dt53512f.

Cuthbertson, J; Gray, VJ; Wilden, JD; (2014) Observations on transition metal free biaryl coupling: potassium tert-butoxide alone promotes the reaction without diamine or phenanthroline catalysts. Chemical Communications , 50 (20) pp. 2575-2578. 10.1039/c3cc49019j.

D'Oyley, JM; Aliev, AE; Sheppard, TD; (2014) Regioselective Dihalohydration Reactions of Propargylic Alcohols: Gold-Catalyzed and Non-Catalyzed Reactions. Angewandte Chemie International Edition , 53 (40) pp. 10747-10750. 10.1002/anie.201405348.

Davies, GB; Krüger, T; Coveney, PV; Harting, J; Bresme, F; (2014) Assembling Ellipsoidal Particles at Fluid Interfaces using Switchable Dipolar Capillary Interactions. Adv Mater , 26 (39) pp. 6715-6719. 10.1002/adma.201402419.

Deacon-Smith, DE; Scanlon, DO; Catlow, CR; Sokol, AA; Woodley, SM; (2014) Interlayer cation exchange stabilizes polar perovskite surfaces. Adv Mater , 26 (42) 7252 - 7256. 10.1002/adma.201401858.

Dhankher, P; Benhamou, L; Sheppard, TD; (2014) Rapid assembly of functionalised spirocyclic indolines by palladium-catalysed dearomatising diallylation of indoles with allyl acetate. Chemistry - A European Journal , 20 (41) 13375- 13381. 10.1002/chem.201403940.

Dhankher, P; Sheppard, TD; (2014) A Convenient Synthesis of Tri- and Tetramethylbenzaldehydes from Readily Available Phenols. Synlett , 25 (3) 381 - 384. 10.1055/s-0033-1340302.

Dölker, N; Górna, MW; Sutto, L; Torralba, AS; Superti-Furga, G; Gervasio, FL; (2014) The SH2 Domain Regulates c-Abl Kinase Activation by a Cyclin-Like Mechanism and Remodulation of the Hinge Motion. Plos Computational Biology (10) , Article e1003863. 10.1371/journal.pcbi.1003863.

Downing, CA; Sokol, AA; Catlow, CRA; (2014) The reactivity of CO2 on the MgO(100) surface. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 16 (1) 184 - 195. 10.1039/c3cp53458h.

Farrow, MR; Chow, Y; Woodley, SM; (2014) Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape? Physical Chemistry Chemical Physics , 16 (39) pp. 21119-21134. 10.1039/c4cp01825g.

Fei, Z; Pattanasattayavong, P; Han, Y; Schroeder, BC; Yan, F; Kline, RJ; Anthopoulos, TD; Fei, Z; Pattanasattayavong, P; Han, Y; Schroeder, BC; Yan, F; Kline, RJ; Anthopoulos, TD; Heeney, M; - view fewer (2014) Influence of Side-Chain Regiochemistry on the Transistor Performance of High-Mobility, All-Donor Polymers. Journal of the American Chemical Society , 136 (43) pp. 15154-15157. 10.1021/ja508798s.

Ferracci, V; Rowley, DM; (2014) Kinetic studies of the BrO plus ClO cross-reaction over the range T=246-314 K. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 16 (3) 1182 - 1196. 10.1039/c3cp53440e.

Gadipelli, Srinivas; Guo, Zhengxiao; (2014) Postsynthesis Annealing of MOF-5 Remarkably Enhances the Framework Structural Stability and CO2 Uptake. Chemistry of Materials , 26 pp. 6333-6338. 10.1021/cm502399q.

Gadipelli, S; Guo, ZX; (2014) Graphene-based materials: synthesis and gas sorption, storage and separation. Progress in Materials Science , 69 (April ) pp. 1-60. 10.1016/j.pmatsci.2014.10.004.

Gadipelli, S; Travis, W; Zhou, W; Guo, Z; (2014) A thermally derived and optimized structure from ZIF-8 with giant enhancement in CO2 uptake. Energy & Environmental Science , 2014 (7) 2232 - 2238. 10.1039/c4ee01009d.

Galante, E; Okamura, T; Sander, K; Kikuchi, T; Okada, M; Zhang, MR; Robson, M; ... Arstad, E; + view all Galante, E; Okamura, T; Sander, K; Kikuchi, T; Okada, M; Zhang, MR; Robson, M; Badar, A; Lythgoe, M; Koepp, M; Arstad, E; - view fewer (2014) Development of purine-derived (18)F-labeled pro-drug tracers for imaging of MRP1 activity with PET. J Med Chem , 57 (3) pp. 1023-1032. 10.1021/jm401764a.

Ghosh, S; Hogarth, G; Hollingsworth, N; Holt, KB; Kabir, SE; Sanchez, BE; (2014) Hydrogenase biomimetics: Fe2(CO)4(μ-dppf)(μ-pdt) (dppf = 1,1'-bis(diphenylphosphino)ferrocene) both a proton-reduction and hydrogen oxidation catalyst. Chem Commun (Camb) (50) pp. 945-947. 10.1039/c3cc46456c.

Goodall, JBM; (2014) UK Catalysis Hub. International Innovation (167) pp. 89-91.

Gould, AL; Heard, CJ; Logsdail, AJ; Catlow, CR; (2014) Segregation effects on the properties of (AuAg)₁₄₇. Phys Chem Chem Phys , 16 (39) 21049 - 21061. 10.1039/c4cp00753k.

Goyal, P; Krasteva, PV; Van Gerven, N; Gubellini, F; Van den Broeck, I; Troupiotis-Tsaïlaki, A; Jonckheere, W; ... Remaut, H; + view all Goyal, P; Krasteva, PV; Van Gerven, N; Gubellini, F; Van den Broeck, I; Troupiotis-Tsaïlaki, A; Jonckheere, W; Péhau-Arnaudet, G; Pinkner, JS; Chapman, MR; Hultgren, SJ; Howorka, S; Fronzes, R; Remaut, H; - view fewer (2014) Structural and mechanistic insights into the bacterial amyloid secretion channel CsgG. [Letter]. Nature , 516 pp. 250-253. 10.1038/nature13768.

Gray, VJ; Cuthbertson, J; Wilden, JD; (2014) Transition-metal-free synthesis of ynol ethers and thioynol ethers via displacement at sp centers: a revised mechanistic pathway. The Journal of Organic Chemistry , 79 (12) pp. 5869-5874. 10.1021/jo500814y.

Greenwood, JB; Miles, J; De Camillis, S; Mulholland, P; Zhang, L; Parkes, MA; Hailes, HC; Greenwood, JB; Miles, J; De Camillis, S; Mulholland, P; Zhang, L; Parkes, MA; Hailes, HC; Fielding, HH; - view fewer (2014) Resonantly Enhanced Multiphoton Ionization Spectrum of the Neutral Green Fluorescent Protein Chromophore. JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 5 (20) 3588 - 3592. 10.1021/jz5019256.

Grinter, DC; Woolcot, T; Pang, C-L; Thornton, G; (2014) Ordered Carboxylates on TiO (110) Formed at Aqueous Interfaces. The Journal of Physical Chemistry Letters , 5 (24) 4265 - 4269. 10.1021/jz502249j.

Guiglion, P; Butchosa, C; Zwijnenburg, MA; (2014) Polymeric watersplitting photocatalysts; a computational perspective on the water oxidation conundrum. Journal of Materials Chemistry A , 2 (30) pp. 11996-12004. 10.1039/c4ta02044h.

Han, X; Stewart, HM; Shevlin, SA; Catlow, CR; Guo, ZX; (2014) Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons. Nano Letters , 14 (8) pp. 4607-4614. 10.1021/nl501658d.

Hazael, R; Foglia, F; Kardzhaliyska, L; Daniel, I; Meersman, F; McMillan, P; (2014) Laboratory investigation of high pressure survival in Shewanella oneidensis MR-1 into the gigapascal pressure range. Frontiers in Microbiology , 5 10.3389/fmicb.2014.00612.

Herschy, B; Whicher, A; Camprubi, E; Watson, C; Dartnell, L; Ward, J; Evans, JR; Herschy, B; Whicher, A; Camprubi, E; Watson, C; Dartnell, L; Ward, J; Evans, JR; Lane, N; - view fewer (2014) An origin-of-life reactor to simulate alkaline hydrothermal vents. J Mol Evol , 79 (5-6) 213 - 227. 10.1007/s00239-014-9658-4.

Howorka, S; Hesse, J; (2014) Microarrays and single molecules: an exciting combination. Soft Matter , 10 (7) 931 - 941. 10.1039/c3sm52561a.

Hull, EA; Livanos, M; Miranda, E; Smith, ME; Chester, KA; Baker, JR; (2014) Homogeneous Bispecifics by Disulfide Bridging. Bioconjug Chem , 25 (8) pp. 1395-1401. 10.1021/bc5002467.

Hussain, H; Torrelles, X; Rajput, P; Nicotra, M; Thornton, G; Zegenhagen, J; (2014) A Quantitative Structural Investigation of the 0.1 wt % Nb-SrTiO3(001)/H2O Interface. Journal of Physical Chemistry C , 118 (20) 10980 - 10988. 10.1021/jp5034118.

Jathoul, Amit P; Grounds, Helen; Anderson, James C; Pule, Martin A; (2014) A Dual Color Far-Red to Near-Infrared Firefly Luciferin Analogue Designed for Multi-Parametric Bioluminescence Imaging. Angewandte Chemie , 53 (48) pp. 13059-13063. 10.1002/anie.201405955.

Kimber, HJ; Ennis, CP; Price, SD; (2014) Single and double addition of oxygen atoms to propyne on surfaces at low temperatures. Faraday Discuss , 168 167 - 184. 10.1039/C3FD00130J.

Kitching, H; Kenyon, AJ; Parkin, IP; (2014) The interaction of gold and silver nanoparticles with a range of anionic and cationic dyes. Physical Chemistry Chemical Physics , 16 6050 - 6059. 10.1039/C3CP55366C.

Knapp, CE; Manzi, JA; Kafizas, A; Parkin, IP; Carmalt, CJ; (2014) Aerosol-Assisted Chemical Vapour Deposition of Transparent Zinc Gallate Films. ChemPlusChem , 79 (7) pp. 1024-1029. 10.1002/cplu.201402037.

Lichman, BR; Lamming, ED; Pesnot, T; Smith, JM; Hailes, HC; Ward, JM; (2014) One-pot triangular chemoenzymatic cascades for the syntheses of chiral alkaloids from dopamine. Green Chemistry , 17 (2) pp. 852-855. 10.1039/c4gc02325k.

Logsdail, AJ; Scanlon, DO; Catlow, CRA; Sokol, AA; (2014) Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides. PHYSICAL REVIEW B , 90 (15) , Article ARTN 155106. 10.1103/PhysRevB.90.155106.

Lounasvuori, MM; Rosillo-Lopez, M; Salzmann, CG; Caruana, DJ; Holt, KB; (2014) Electrochemical characterisation of graphene nanoflakes with functionalised edges. Faraday Discussions , 172 pp. 293-310. 10.1039/c4fd00034j.

Makwana, NM; Quesada-Cabrera, R; Parkin, IP; McMillan, PF; Mills, A; Darr, JA; (2014) A simple and low-cost method for the preparation of self-supported TiO2-WO3 ceramic heterojunction wafers. Journal of Materials Chemistry A , 2 (41) pp. 17602-17608. 10.1039/c4ta03257h.

Mansor, N; Jorge, AB; Corà, F; Gibbs, C; Jervis, R; McMillan, PF; Wang, X; Mansor, N; Jorge, AB; Corà, F; Gibbs, C; Jervis, R; McMillan, PF; Wang, X; Brett, DJ; - view fewer (2014) Graphitic Carbon Nitride Supported Catalysts for Polymer Electrolyte Fuel Cells. J Phys Chem C Nanomater Interfaces , 118 (13) 6831 - 6838. 10.1021/jp412501j.

Marculescu, C; Kossen, H; Morgan, RE; Mayer, P; Fletcher, SA; Tolner, B; Chester, KA; ... Baker, JR; + view all Marculescu, C; Kossen, H; Morgan, RE; Mayer, P; Fletcher, SA; Tolner, B; Chester, KA; Jones, LH; Baker, JR; - view fewer (2014) Aryloxymaleimides for cysteine modification, disulfide bridging and the dual functionalization of disulfide bonds. Chemical Communications , 50 (54) pp. 7139-7142. 10.1039/c4cc02107j.

Martin, DJ; Qiu, K; Shevlin, SA; Handoko, AD; Chen, X; Guo, Z; Tang, J; (2014) Highly Efficient Photocatalytic H2 Evolution from Water using Visible Light and Structure-Controlled Graphitic Carbon Nitride. Angew Chem Int Ed Engl , 53 (35) pp. 9240-9245. 10.1002/anie.201403375.

Martin, HS; Jha, S; Coveney, PV; (2014) Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force. J Comput Chem , 35 (9) pp. 692-702. 10.1002/jcc.23525.

McCabe, EE; Wills, AS; Chapon, L; Manuel, P; Evans, JSO; (2014) Structural and magnetic characterization of iron oxyselenides Ce2O2Fe2OSe2 and Nd2O2Fe2OSe2. PHYSICAL REVIEW B , 90 (16) , Article ARTN 165111. 10.1103/PhysRevB.90.165111.

Minns, RS; Lazenby, DTC; Hall, FHJ; Jones, NJA; Patel, R; Fielding, HH; (2014) A spectroscopic investigation of the ionisation and dissociation decay dynamics of Rydberg states of NO. MOLECULAR PHYSICS , 112 (13) 1808 - 1815. 10.1080/00268976.2013.865809.

Moniz, SJA; Quesada-Cabrera, R; Blackman, CS; Tang, J; Southern, P; Weaver, PM; Carmalt, CJ; (2014) A simple, low-cost CVD route to thin films of BiFeO3 for efficient water photo-oxidation. Journal of Materials Chemistry A , 2 (9) 2922 - 2927. 10.1039/c3ta14824f.

Moody, P; Chudasama, V; Nathani, RI; Maruani, A; Martin, S; Smith, ME; Caddick, S; (2014) A rapid, site-selective and efficient route to the dual modification of DARPins. Chem Commun (Camb) , 50 (38) pp. 4898-4900. 10.1039/c4cc00053f.

Mooney, CRS; Parkes, MA; Zhang, L; Hailes, HC; Simperler, A; Bearpark, MJ; Fielding, HH; (2014) Competition between photodetachment and autodetachment of the 2(1)pi pi* state of the green fluorescent protein chromophore anion. JOURNAL OF CHEMICAL PHYSICS , 140 (20) , Article ARTN 205103. 10.1063/1.4874643.

Mortensen, M; Iqbal, F; Pandurangan, AP; Hannan, S; Huckvale, R; Topf, M; Baker, JR; Mortensen, M; Iqbal, F; Pandurangan, AP; Hannan, S; Huckvale, R; Topf, M; Baker, JR; Smart, TG; - view fewer (2014) Photo-antagonism of the GABAA receptor. Nature Communications , 5 , Article 4454. 10.1038/ncomms5454.

Nash, RW; Carver, HB; Bernabeu, MO; Hetherington, J; Groen, D; Krueger, T; Coveney, PV; (2014) Choice of boundary condition for lattice-Boltzmann simulation of moderate-Reynolds-number flow in complex domains. PHYSICAL REVIEW E , 89 (2) , Article 023303. 10.1103/PhysRevE.89.023303.

Palacios, L; Rosado, H; Micol, V; Rosato, AE; Bernal, P; Arroyo, R; Grounds, H; ... Taylor, PW; + view all Palacios, L; Rosado, H; Micol, V; Rosato, AE; Bernal, P; Arroyo, R; Grounds, H; Anderson, JC; Stabler, RA; Taylor, PW; - view fewer (2014) Staphylococcal Phenotypes Induced by Naturally Occurring and Synthetic Membrane-Interactive Polyphenolic β-Lactam Resistance Modifiers. PLoS One , 9 (4) , Article e93830. 10.1371/journal.pone.0093830.

Palgrave, R; (2014) Cleaning the future. International Innovation (140) pp. 96-98.

Pang, CL; Yurtsever, A; Onoda, J; Sugimoto, Y; Thornton, G; (2014) (2n×1) Reconstructions of TiO2(011) Revealed by Noncontact Atomic Force Microscopy and Scanning Tunneling Microscopy. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces , 118 (40) 23168-23174. 10.1021/jp507422s.

Parkes, MA; Lockyear, JF; Price, SD; (2014) Bond-forming reactions between the molecular oxygen dication and small organic molecules. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY , 365-36 68 - 74. 10.1016/j.ijms.2014.01.014.

Pennell, MN; Foster, RW; Turner, PG; Hailes, HC; Tame, CJ; Sheppard, TD; (2014) Gold catalysed synthesis of 3-alkoxyfurans at room temperature. Chemical Communications , 50 (11) 1302 - 1304. 10.1039/c3cc48290a.

Pesce, G; Volpe, G; Volpe, G; Sasso, A; (2014) Long-term influence of fluid inertia on the diffusion of a Brownian particle. Phys Rev E Stat Nonlin Soft Matter Phys , 90 (4) 042309 - ?. 10.1103/PhysRevE.90.042309.

Planells, M; Schroeder, BC; McCulloch, I; (2014) Effect of Chalcogen Atom Substitution on the Optoelectronic Properties in Cyclopentadithiophene Polymers. Macromolecules , 47 (17) pp. 5889-5894. 10.1021/ma5014308.

Ponja, SD; Sathasivam, S; Parkin, IP; Carmalt, CJ; (2014) Transparent conductive aluminium and fluorine co-doped zinc oxide films via aerosol assisted chemical vapour deposition. RSC Advances , 4 (91) 49723 - 49728. 10.1039/c4ra09997d.

Price, LS; McMahon, JA; Lingireddy, SR; Lau, S-F; Diseroad, BA; Price, SL; Reutzel-Edens, SM; (2014) A molecular picture of the problems in ensuring structural purity of tazofelone. JOURNAL OF MOLECULAR STRUCTURE , 1078 26 - 42. 10.1016/j.molstruc.2014.01.014.

Price, SL; (2014) Predicting crystal structures of organic compounds. CHEMICAL SOCIETY REVIEWS , 43 (7) 2098 - 2111. 10.1039/c3cs60279f.

Qiu, K; Guo, ZX; (2014) Hierarchically porous graphene sheets and graphitic carbon nitride intercalated composites for enhanced oxygen reduction reaction. JOURNAL OF MATERIALS CHEMISTRY A , 2 (9) 3209 - 3215. 10.1039/c3ta14158f.

Quesada-Cabrera, R; Sotelo-Vazquez, C; Bear, JC; Darr, JA; Parkin, IP; (2014) Photocatalytic Evidence of the Rutile-to-Anatase Electron Transfer in Titania. Advanced Materials Interfaces , 1 (6) , Article 1400069. 10.1002/admi.201400069.

Quesada-Cabrera, R; Sotelo-Vazquez, C; Darr, JA; Parkin, IP; (2014) Critical influence of surface nitrogen species on the activity of N-doped TiO thin-films during photodegradation of stearic acid under UV light irradiation. Applied Catalysis B: Environmental , 160-16 (1) 582 - 588. 10.1016/j.apcatb.2014.06.010.

Quigley, D; Alfè, D; Slater, B; (2014) Communication: On the stability of ice 0, ice i, and I(h). The Journal of Chemical Physics , 141 (16) , Article 161102. 10.1063/1.4900772.

Rahaman, A; Ghosh, S; Unwin, DG; Basak-Modi, S; Holt, KB; Kabir, SE; Nordlander, E; ... Hogarth, G; + view all Rahaman, A; Ghosh, S; Unwin, DG; Basak-Modi, S; Holt, KB; Kabir, SE; Nordlander, E; Richmond, MG; Hogarth, G; - view fewer (2014) Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe3(CO)7(μ-edt)2] and Phosphine Derivatives [Fe3(CO)7-x (PPh3) x (μ-edt)2] (x = 1, 2) and [Fe3(CO)5(κ(2)-diphosphine)(μ-edt)2] as Proton Reduction Catalysts. Organometallics , 33 (6) 1356 - 1366. 10.1021/om400691q.

Richter, N; Simon, RC; Kroutil, W; Ward, JM; Hailes, HC; (2014) Synthesis of pharmaceutically relevant 17-α-amino steroids using an ω-transaminase. Chem Commun (Camb) , 50 pp. 6098-6100. 10.1039/c3cc49080g.

Sala, M; Kirkby, OM; Guérin, S; Fielding, HH; (2014) New insight into the potential energy landscape and relaxation pathways of photoexcited aniline from CASSCF and XMCQDPT2 electronic structure calculations. Phys Chem Chem Phys , 16 (7) 3122 - 3133. 10.1039/c3cp54418d.

Sanchez-Vazquez, SA; Sheppard, TD; Evans, JRG; Hailes, HC; (2014) The selective conversion of D-limonene to p,alpha-dimethylstyrene. RSC ADVANCES , 4 (106) 61652 - 61655. 10.1039/c4ra11558a.

Sarip, R; Molkenova, A; Sathasivam, S; Umek, P; Vallejos, S; Blackman, C; Hogarth, G; Sarip, R; Molkenova, A; Sathasivam, S; Umek, P; Vallejos, S; Blackman, C; Hogarth, G; Sankara, G; - view fewer (2014) Single-step co-deposition of nanostructured tungsten oxide supported gold nanoparticles using a gold-phosphine cluster complex as the gold precursor. Science and Technology of Advanced Materials , 15 (6) , Article 065004. 10.1088/1468-6996/15/6/065004.

Sayer, C; Martinez-Torres, RJ; Richter, N; Isupov, MN; Hailes, HC; Littlechild, JA; Ward, JM; (2014) The substrate specificity, enantioselectivity and structure of the (R)-selective amine : pyruvate transaminase from Nectria haematococca. FEBS JOURNAL , 281 (9) 2240 - 2253. 10.1111/febs.12778.

Sayer, JR; Walldén, K; Pesnot, T; Campbell, F; Gane, PJ; Simone, M; Koss, H; ... Tabor, AB; + view all Sayer, JR; Walldén, K; Pesnot, T; Campbell, F; Gane, PJ; Simone, M; Koss, H; Buelens, F; Boyle, TP; Selwood, DL; Waksman, G; Tabor, AB; - view fewer (2014) 2- and 3-substituted imidazo[1,2-a]pyrazines as inhibitors of bacterial type IV secretion. Bioorganic and Medical Chemistry , 22 (22) pp. 6459-6470. 10.1016/j.bmc.2014.09.036.

Schroeder, BC; Li, Z; Brady, MA; Faria, GC; Ashraf, RS; Takacs, CJ; Cowart, JS; ... McCulloch, I; + view all Schroeder, BC; Li, Z; Brady, MA; Faria, GC; Ashraf, RS; Takacs, CJ; Cowart, JS; Duong, DT; Chiu, KH; Tan, C-H; Cabral, JT; Salleo, A; Chabinyc, ML; Durrant, JR; McCulloch, I; - view fewer (2014) Enhancing Fullerene-Based Solar Cell Lifetimes by Addition of a Fullerene Dumbbell. Angewandte Chemie-international Edition , 53 (47) pp. 12870-12875. 10.1002/anie.201407310.

Schroeder, BC; Rossbauer, S; Kline, RJ; Biniek, L; Watkins, SE; Anthopoulos, TD; McCulloch, I; Schroeder, BC; Rossbauer, S; Kline, RJ; Biniek, L; Watkins, SE; Anthopoulos, TD; McCulloch, I; Nielsen, CB; - view fewer (2014) Benzotrithiophene Copolymers: Influence of Molecular Packing and Energy Levels on Charge Carrier Mobility. Macromolecules , 47 (9) pp. 2883-2890. 10.1021/ma500163u.

Schumacher, FF; Nunes, JP; Maruani, A; Chudasama, V; Smith, ME; Chester, KA; Baker, JR; Schumacher, FF; Nunes, JP; Maruani, A; Chudasama, V; Smith, ME; Chester, KA; Baker, JR; Caddick, S; - view fewer (2014) Next generation maleimides enable the controlled assembly of antibody-drug conjugates via native disulfide bond bridging. Organic & Biomolecular Chemistry , 12 (37) pp. 7261-7269. 10.1039/c4ob01550a.

Sehl, T; Hailes, HC; Ward, JM; Menyes, U; Pohl, M; Rother, D; (2014) Efficient 2-step biocatalytic strategies for the synthesis of all nor(pseudo) ephedrine isomers. Green Chemistry , 16 (6) pp. 3341-3348. 10.1039/c4gc00100a.

Shariff, L; Zhu, Y; Cowper, B; Di, W-L; Macmillan, D; (2014) Sunflower trypsin inhibitor (SFTI-1) analogues of synthetic and biological origin via N -> S acyl transfer: potential inhibitors of human Kallikrein-5 (KLK5). TETRAHEDRON , 70 (42) 7675 - 7680. 10.1016/j.tet.2014.06.059.

Sokol, AA; Farrow, MR; Buckeridge, J; Logsdail, AJ; Catlow, CR; Scanlon, DO; Woodley, SM; (2014) Double bubbles: a new structural motif for enhanced electron-hole separation in solids. Physical Chemistry Chemical Physics , 16 (39) pp. 21098-21105. 10.1039/c4cp01900h.

Srinivas, G; Krungleviciute, V; Guo, Z-X; Yildirim, T; (2014) Exceptional CO2 capture in a hierarchically porous carbon with simultaneous high surface area and pore volume. Energy & Environmental Science , 7 (1) 335 - 342. 10.1039/c3ee42918k.

Stratford, SA; Arhangelskis, M; Bučar, DK; Jones, W; (2014) Solid-state photoreactivity of 9-substituted acridizinium bromide salts. CrystEngComm , 16 (47) pp. 10830-10836. 10.1039/c4ce01622j.

Varley, TS; Hirani, M; Harrison, G; Holt, KB; (2014) Nanodiamond surface redox chemistry: influence of physicochemical properties on catalytic processes. Faraday Discussions , 172 pp. 349-364. 10.1039/c4fd00041b.

Viswanathan, P; Themistou, E; Ngamkham, K; Reilly, G; Armes, SP; Battaglia, G; (2014) Controlling Surface Topology and Functionality of Electrospun Fibers using Amphiphilic Block Copolymers to Direct Mesenchymal Progenitor Cell Adhesion. Biomacromolecules , 16 (1) pp. 66-75. 10.1021/bm500671j.

Wobbe, MC; Kerridge, A; Zwijnenburg, MA; (2014) Optical excitation of MgO nanoparticles; a computational perspective. Physical Chemistry Chemical Physics , 16 (40) pp. 22052-22061. 10.1039/c4cp03442b.

Wright, DW; Hall, BA; Kenway, OA; Jha, S; Coveney, PV; (2014) Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors. J Chem Theory Comput , 10 (3) 1228 - 1241. 10.1021/ct4007037.

Youziel, J; Akhbar, AR; Aziz, Q; Smith, ME; Caddick, S; Tinker, A; Baker, JR; (2014) Bromo- and thiomaleimides as a new class of thiol-mediated fluorescence 'turn-on' reagents. Org Biomol Chem , 12 (4) pp. 557-560. 10.1039/c3ob42141d.

Zasada, SJ; Chang, DCW; Haidar, AN; Coveney, PV; (2014) Flexible composition and execution of large scale applications on distributed e-infrastructures. JOURNAL OF COMPUTATIONAL SCIENCE , 5 (1) 51 - 62. 10.1016/j.jocs.2013.10.009.

Zhao, Fei; Zhang, Dengyou; Nian, Yong; Zhang, Lei; Yang, Wei; Liu, Hong; (2014) Palladium-Catalyzed Difunctionalization of Alkynes via C–N and S–N Cleavages: A Versatile Approach to Highly Functional Indoles. Organic Letters , 16 (19) pp. 5124-5127. 10.1021/ol5024745.

Zhou, M; Bao, J; Xu, Y; Zhang, J; Xie, J; Guan, M; Wang, C; ... Xie, Y; + view all Zhou, M; Bao, J; Xu, Y; Zhang, J; Xie, J; Guan, M; Wang, C; Wen, L; Lei, Y; Xie, Y; - view fewer (2014) Photoelectrodes Based upon Mo:BiVO₄ Inverse Opals for Photoelectrochemical Water Splitting. ACS Nano , 8 (7) pp. 7088-7098. 10.1021/nn501996a.

Book chapter

Schroeder, BC; Ashraf, RS; Mcculloch, I; (2014) Thiophene-Based High-Performance Donor Polymers for Organic Solar Cells. In: Organic Photovoltaics: Materials, Device Physics, and Manufacturing Technologies: Second Edition. (pp. 27-60). Wiley: Weinheim, Germany.

Sheppard, TD; (2014) Tris(2,2,2-trifluoroethoxy)boron. In: Fuchs, PL and Charette, AB, (eds.) Encyclopedia of Reagents for Organic Synthesis. Wiley

Proceedings paper

Salamat, A; Bouvier, P; Gray, BM; Hector, AL; Kimber, SAJ; McMillan, PF; (2014) High-Pressure Annealing of a Prestructured Nanocrystalline Precursor to Obtain Tetragonal and Orthorhombic Polymorphs of Hf3N4. In: MRS Proceedings, Volume 1655. (pp. pp. 30-33). Cambridge University Press: Cambridge, UK.

Thesis

Ainsworth, RI; (2014) Modelling phosphate-based glasses for biomedical applications. Doctoral thesis (PhD), UCL (University College London).

Akhbar, AR; (2014) Hydroacylation of N=N bonds via aerobic C-H activation of aldehydes, and reactions of the products thereof. Doctoral thesis , UCL (University College London).

Baba, NM; (2014) Hydrophobic Polymers and Nanocomposites from Cassava. Doctoral thesis , UCL (University College London).

Bear, JC; (2014) Applied synthesis and characterisation of nanoparticles. Doctoral thesis , UCL (University College London).

Cooper, CS; (2014) Computational Modelling of Yttrium Stabilised Zirconia in Catalysis. Doctoral thesis , UCL (University College London).

Cox, SJ; (2014) Furthering our understanding of heterogeneous ice nucleation with molecular simulation. Doctoral thesis , UCL (University College London).

Cross, AJ; (2014) The synthesis, characterisation and functional testing of metal oxide thin films. Doctoral thesis , UCL (University College London).

D'Oyley, JM; (2014) Synthesis of Five-Membered Heterocycles: Novel Allosteric Modulators for Nicotinic Receptors and New Gold-Catalysed Reactions. Doctoral thesis , UCL (University College London).

Dzade, NY; (2014) Computational study of the interactions of small molecules with the surfaces of iron-bearing minerals. Doctoral thesis , UCL (University College London).

Elahi, A; (2014) Plasma electrochemistry: electron transfer at the solid/gas interface. Doctoral thesis , UCL (University College London).

Fletcher, James; (2014) Studies of atomic and molecular cations. Doctoral thesis , UCL (University College London).

Gray, VJ; (2014) New Applications for Sulfur-Based Leaving Groups in Synthesis. Doctoral thesis , UCL (University College London).

Haider, SG; (2014) Computational Studies of FeS: Bulk, Surfaces and Clusters. Doctoral thesis (PhD), UCL (University College London).

Hussain, H; (2014) Quantitative structural investigations of the water/metal oxide interface. Doctoral thesis , UCL (University College London).

Keating, JL; (2014) Elucidating structure over atomic length scales through advanced synchrotron-based methodologies. Doctoral thesis , UCL (University College London).

Leech, R; (2014) Synthesis and Manipulation of Nanoparticles. Doctoral thesis , UCL (University College London).

Li, MSF; (2014) Investigating the effects of applying a high voltage DC electric field in a flame using a point to plane electrode arrangement. Doctoral thesis , UCL (University College London).

Mackenzie Dover, CM; (2014) Synchrotron Studies of Technologically Important Metal Oxide Surfaces. Doctoral thesis , UCL (University College London).

Malik, J; (2014) Computational modelling of hydrated yttrium-containing silicate glasses for in situ radiotherapy. Doctoral thesis , UCL (University College London).

Marchand, Peter James; (2014) Group 13 metal oxide and pnictide thin films: developing novel single-source precursors for the deposition of functional materials. Doctoral thesis (Ph.D), UCL (University College London).

Martin, DJ; (2014) Investigation into high efficiency visible light photocatalysts for water reduction and oxidation. Doctoral thesis , UCL (University College London).

Moody, PR; (2014) Evaluation of strategies for modular assembly of targeted therapeutics and diagnostics. Doctoral thesis , UCL (University College London).

Nathani, RI; (2014) Novel approaches for cysteine bioconjugation. Doctoral thesis , UCL (University College London).

Nathanson, AS; (2014) Ammonia borane composites for solid state hydrogen storage and calcium-ammonia solutions in graphite. Doctoral thesis , UCL (University College London).

Noor, N; (2014) The Chemical Vapour Deposition of Transparent Conducting Oxides: Exploring Routes Toward Improved Functionality. Doctoral thesis , UCL (University College London).

Oikonomou, F; (2014) Constraining the sources of ultra-high energy cosmic rays with multi-messenger data. Doctoral thesis , UCL (University College London).

Pennell, MN; (2014) Gold Catalysed Reactions of Propargylic Alcohols. Doctoral thesis , UCL (University College London).

Premdjee, B; (2014) Semi-synthesis of glycoproteins. Doctoral thesis , UCL (University College London).

Puletti, F; (2014) Laboratory spectroscopic studies of interstellar ice analogues. Doctoral thesis , UCL (University College London).

Rahman, AS; (2014) Theoretical and experimental investigations of graphitic and crystalline carbon nitrides. Doctoral thesis , UCL (University College London).

Rakowska, PD; (2014) Designer peptide markers towards multifunctional nanoprobes for cellular targeting at the nanoscale. Doctoral thesis , UCL (University College London).

Roffey, AR; (2014) Dithiocarbamate Complexes as Single Source Precursors to Metal Sulfide Nanoparticles for Applications in Catalysis. Doctoral thesis , UCL (University College London).

Sanchez Vazquez, SA; (2014) Polymers from food wastes. Doctoral thesis , UCL (University College London).

Smith, AJ; (2014) In-situ and ex-situ studies of heteroatom substituted nanoporous materials using advanced radiation techniques. Doctoral thesis , UCL (University College London).

Sugden, IJ; (2014) Carboranes and their incorporation into siloxane polymers. Doctoral thesis , UCL (University College London).

Tillotson, MJ; (2014) The influence of titanium dioxide surface chemistry on osteogenic stem cell selection. Doctoral thesis , UCL (University College London).

Tocci, G; (2014) Realistic modelling of water/solid interfaces from ab Initio molecular dynamics. Doctoral thesis , UCL (University College London).

Turner, RL; (2014) Novel approaches to the synthesis of Wieland-Miescher ketone analogues. Doctoral thesis , UCL (University College London).

Ward, MKM; (2014) Kinetic studies of the atmospherically implicated halogen oxide radical and peroxy radical cross-reactions. Doctoral thesis , UCL (University College London).

Warwick, MEA; (2014) New cvd methods for energy efficient glazing. Doctoral thesis , UCL (University College London).

Wu, OY; (2014) Continuous Hydrothermal Flow Synthesis of Lithium ion Battery Materials. Doctoral thesis , UCL (University College London).

Yau, KC; (2014) The asymmetric synthesis of oxo-piperidines and oxo-pyrrolidines. Doctoral thesis , UCL (University College London).

Youziel, JD; (2014) The use of Thiomaleimides as Intracellular Delivery Vehicles. Doctoral thesis , UCL (University College London).

This list was generated on Mon Dec 23 00:12:52 2024 GMT.