Now showing items 614-633 of 851

  • The role of LiO2 solubility in O2 reduction in aprotic solvents and its consequences for Li-O2 batteries 

    Johnson, L.; Li, C.; Liu, Z.; Chen, Y.; Freunberger, S.A.; Ashok, P.C.; Praveen, B.B.; Dholakia, K.; Tarascon, J.-M.; Bruce, P.G. (2014-12) - Journal article
    When lithium–oxygen batteries discharge, ​O2 is reduced at the cathode to form solid ​Li2O2. Understanding the fundamental mechanism of ​O2 reduction in aprotic solvents is therefore essential to realizing their technological ...
  • The role of lipids in mechanosensation 

    Pliotas, Christos; Dahl, A Caroline E; Rasmussen, Tim; Mahendran, Kozhinjampara R; Smith, Terry K; Marius, Phedra; Gault, Joseph; Banda, Thandiwe; Rasmussen, Akiko; Miller, Samantha; Robinson, Carol V; Bayley, Hagan; Sansom, Mark S P; Booth, Ian R; Naismith, Jim (2015) - Journal article
    The ability of proteins to sense membrane tension is pervasive in biology. A higher-resolution structure of the Escherichia coli small-conductance mechanosensitive channel MscS identifies alkyl chains inside pockets formed ...
  • The role of silver additives in gold-mediated C-H functionalisation 

    Patrick, Scott R.; Boogaerts, Ine I. F.; Gaillard, Sylvain; Slawin, Alexandra M. Z.; Nolan, Steven P. (2011-07-01) - Journal article
    The role of silver additives is examined in the context of gold-mediated functionalisation of aromatic C-H bonds. Doubt is cast on the commonly cited route of halide abstraction from gold and evidence of substrate activation ...
  • The role of surface hydrolysis of ferricyanide anions in crystal growth of snowflake-shaped α-Fe2O3 

    Liu, Zhong; Chiang, Chang-Yang; Li, Wu; Zhou, Wuzong (2015-06-07) - Journal article
    Selective adsorption and surface hydrolysis of [Fe(CN)6]3− anions on α-Fe2O3 crystals was found to be a crucial process in the formation of a snowflake-like morphology, and the established mechanism is complementary to the ...
  • Ru/TiO2-catalysed hydrogenation of xylose : the role of crystal structure of the support 

    Hernandez-Mejia, Carlos; Gnanakumar, Edwin S.; Olivos-Suarez, Alma; Gascon, Jorge; Greer, Heather Frances; Zhou, Wuzong; Rothenberg, Gadi; Shiju, N. Raveendran (2016-01-21) - Journal article
    Effective dispersion of the active species over the support almost always guarantees high catalytic efficiency. To achieve this high dispersion, favourable interaction of the active species with the support is crucial. We ...
  • Ruthenium indenylidene "1st generation" olefin metathesis catalysts containing triisopropyl phosphite 

    Guidone, Stefano; Nahra, Fady; Slawin, Alexandra Martha Zoya; Cazin, Catherine S.J. (2015-09-01) - Journal article
    The reaction of triisopropyl phosphite with phosphine-based indenylidene pre-catalysts affords “1st generation” cis-complexes. These have been used in olefin metathesis reactions. The cis-Ru species exhibit noticeable ...
  • Ruthenium olefin metathesis catalysts containing fluoride 

    Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra Martha Zoya; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S.J. (2015-07-02) - Journal article
    The reaction of the ruthenium complex cis-Caz-1 with silver fluoride affords the first example of an active olefin metathesis pre-catalyst containing fluoride ligands. The cis geometry of the precursor complex is key to ...
  • A scalable, chromatography-free synthesis of benzotetramisole 

    Daniels, David Sydney Bernard; Smith, Siobhan Rose; Lebl, Tomas; Shapland, P.; Smith, Andrew David (2015-01) - Journal article
    The scalable, chromatography-free synthesis of the chiral isothiourea benzotetramisole (BTM) in two steps from commercially available materials is presented. A detailed procedure for the synthesis of both enantiomers and ...
  • Scoring functions and enrichment : a case study on Hsp90 

    Konstantinou-Kirtay, Chrysi; Mitchell, John Blayney Owen; Lumley, James A. (2007-01-26) - Journal article
    Background: The need for fast and accurate scoring functions has been driven by the increased use of in silico virtual screening twinned with high-throughput screening as a method to rapidly identify potential candidates ...
  • Screen printed porous La0.20Sr0.25Ca0.45TiO3 fuel electrode scaffold microstructures : Optimisation of interaction with impregnated catalysts for more durable performance 

    Price, Robert; Cassidy, Mark; Schuler, J.A.; Mai, A.; Irvine, John Thomas Sirr (Electrochemical Society, 2015) - Conference item
    La0.20Sr0.25Ca0.45TiO3 (LSCTA-) shows promise as a novel Solid Oxide Fuel Cell anode backbone material (to replace Ni-based cermets). Thick film ceramic processing techniques have been used as the primary method in controlling ...
  • Searching for new ferroelectrics and multiferroics : a user’s point of view 

    Scott, James Floyd (2015-11-25) - Journal article
    A perspective on computational studies of ferroelectrics and multiferroics is given that emphasises what has yet to be done, along with some subtleties in previously studied systems. Beginning with the extensive data-mining ...
  • The seeming lack of CF…HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solution 

    Cormanich, R. A.; Rittner, R.; Freitas, M. P.; Buehl, M. (2014-09-28) - Journal article
    No CF…HO intramolecular hydrogen bonds (IHBs) in 2-fluoroethanol, 3-fluoropropanol and 4-fluorobutanol can be detected experimentally in solution by NMR and infrared spectroscopies. According to ab initio (MP2/aug-cc-pVDZ) ...
  • Selective modification of the β-β linkage in DDQ-treated Kraft lignin analysed by 2D NMR spectroscopy 

    Tran, F.; Lancefield, C. S.; Kamer, P. C. J.; Lebl, T.; Westwood, N. J. (2015-01-01) - Journal article
    The depolymerisation of the biopolymer lignin has the potential to provide access to a range of high value and commodity chemicals. However, research in this increasingly important area of green chemistry is hindered by ...
  • Selective NaOH-catalysed hydration of aromatic nitriles to amides 

    Schmid, Thibault; Gomez Herrera, Alberto; Songis, Olivier; Sneddon, Deborah; Révolte, Antoine; Nahra, Fady; Cazin, Catherine S.J. (2015-05-01) - Journal article
    The selective synthesis of aromatic and heteroaromatic amides through base-catalysed hydration of nitriles was achieved using inexpensive and commercially available NaOH as the only catalyst. A wide range of nitriles was ...
  • Selective oxidation of bulky organic sulphides over layered titanosilicate catalysts 

    Prech, Jan; Morris, Russell E.; Cejka, Jiri (2016-04-21) - Journal article
    Selective oxidation of sulphides is a straightforward method of preparation of organic sulphoxides and sulphones, which are important chemical intermediates and building blocks of pharmaceuticals and agrochemicals. Oxidation ...
  • Selectively fluorinated cyclohexane building blocks : derivatives of carbonylated all-cis-3-phenyl-1,2,4,5-tetrafluorocyclohexane 

    Ayoup, Mohammed Salah; Cordes, David Bradford; Slawin, Alexandra Martha Zoya; O'Hagan, David (2015-12-21) - Journal article
    Palladium catalysed carbonylation reactions using the meta- and para-iodo derivatives of all-cis-3-phenyl-1,2,4,5-tetrafluorocyclohexane ( 4 ) are illustrated as the start point for a variety of functional group interconversions. ...
  • Selenocarbonyl synthesis using Woollins Reagent 

    Bhattacharyya, Pravat; Woollins, John Derek (2001-08-20) - Journal article
    [PhP(Se)(mu -Se)](2) selenates secondary and tertiary amides to the corresponding selenoamides in 30-70% yields at 130 degreesC in toluene and indolizine-3-aldehydes to selenoaldehydes in 40-59% yield at 25 degreesC. (C) ...
  • Self-trapping and excited state absorption in fluorene homo-polymer and copolymers with benzothiadiazole and tri-phenylamine 

    Denis, Jean-Christophe; Ruseckas, Arvydas; Hedley, Gordon J.; Matheson, Andrew B.; Paterson, Martin J.; Turnbull, Graham A.; Samuel, Ifor D. W.; Galbraith, Ian (2016-08-21) - Journal article
    Excited state absorption (ESA) is studied using time-dependent density functional theory and compared with experiments performed in dilute solutions. The molecules investigated are a fluorene pentamer, polyfluorene F8, the ...
  • Short stack and full system test using a ceramic A-site deficient strontium titanate anode 

    Verbraeken, Maarten Christiaan; Iwanschitz, Boris; Stefan, Elena; Cassidy, Mark; Weissen, Ueli; Mai, Andreas; Irvine, John Thomas Sirr (2015) - Journal article
    A lanthanum and calcium co-doped A-site deficient strontium titanate (LSCTA–) was used as alternative anode material in Solid Oxide Fuel Cells (SOFC) with an active area of 100 cm2. Cell performance was tested in both short ...
  • Short-interval observational data to inform clinical trial design in early Huntington’s Disease 

    Hobbs, Nicola Z.; Farmer, Ruth E.; Rees, Elin M.; Cole, James H.; Haider, Salman; Malone, Ian B; Sprengelmeyer, Reiner Heinrich; Johnson, Hans; Mueller, Hans-Peter; Sussmuth, Sigurd D.; Roos, Raymund A.C.; Durr, Alexandra; Frost, Chris; Scahill, Rachael I.; Landwehrmeyer, Bernhard; Tabrizi, Sarah J (2015) - Journal article
    Objectives To evaluate candidate outcomes for disease-modifying trials in Huntington's disease (HD) over 6-month, 9-month and 15-month intervals, across multiple domains. To present guidelines on rapid efficacy readouts ...