Now showing items 915-934 of 1005

    • Tailoring transient-amorphous states: Towards fast and power-efficient phase-change memories and neuromorphic computing 

      Lee, Taehoon; Loke, Desmond; Huang, Ke-Jie; Wang, Wei-Jie; Elliott, Stephen Richard (Wiley, 2014)
    • Target Fishing: A Single-Label or Multi-Label Problem? 

      Afzal, AM; Mussa, HY; Turner, RE; Bender, Andreas; Glen, Robert Charles
      According to Cobanoglu et al and Murphy, it is now widely acknowledged that the single target paradigm (one protein or target, one disease, one drug) that has been the dominant premise in drug development in the recent ...
    • Target prediction utilising negative bioactivity data covering large chemical space 

      Mervin, Lewis; Afzal, Avid M; Drakakis, Georgios; Lewis, Richard; Engkvist, Ola; Bender, Andreas (Springer, 2015-10-24)
      Background: In silico analyses are increasingly being used to support mode-of-action investigations; however many such approaches do not utilise the large amounts of inactive data held in chemogenomic repositories. The ...
    • Targeted Detection of G-Quadruplexes in Cellular RNAs 

      Kwok, Chun Kit; Balasubramanian, Shankar (Wiley, 2015-04-23)
      The G-quadruplex (G4) is a non-canonical nucleic acid structure which regulates important cellular processes. RNA G4s have recently been shown to exist in human cells and be biologically significant. Described herein is a ...
    • Targeting disordered proteins with small molecules using entropy 

      Heller, Gabriella; Sormanni, Pietro; Vendruscolo, Michele (Elsevier, 2015-09)
      The human proteome includes many disordered proteins. Although these proteins are closely linked with a range of human diseases, no clinically approved drug targets them in their monomeric forms. This situation arises, at ...
    • Targeting DNA G-Quadruplexes with Helical Small Molecules 

      Müller, Sebastian; Laxmi-Reddy, Katta; Jena, Prakrit V; Baptiste, Benoit; Dong, Zeyuan; Godde, Frédéric; Ha, Taekjip et al. (Wiley, 2014-09-26)
      We previously identified quinoline-based oligoamide helical foldamers and a trimeric macrocycle as selective ligands of DNA quadruplexes. Their helical structure may permit the targeting of the backbone loops and grooves ...
    • Targeting low-cost type-II heterostructures: Synthesis, structure and photoreactivity 

      Kar, A; Sain, S; Rossouw, D; Knappett, BR; Pradhan, SK; Botton, GA; Wheatley, Andrew Edward (Elsevier, 2017-03-25)
      One design strategy by which to iterate the photocatalytic efficiency of semiconducting nanomaterials for harvesting solar energy involves the synthesis of type-II heterostructured materials. In this article, a straightforward, ...
    • Terahertz Nanoscopy of Plasmonic Resonances with a Quantum Cascade Laser 

      Degl'Innocenti, Riccardo; Wallis, R; Wei, Binbin; Xiao, Long; Kindness, Stephen; Mitrofanov, O; Braeuninger-Weimer, Philipp et al. (2017-09-20)
    • $\textit{Ab initio}$ density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces 

      Romanyuk, O; Supplie, O; Susi, T; May, Matthias; Hannappel, T (American Physical Society, 2016-10-15)
      The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by $\textit{ab initio}$ density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces ...
    • That’s No Moon: It’s a Molecular Capsule 

      Pilgrim, Ben Samuel; Nitschke, Jonathan Russell (Elsevier (Cell Press), 2016-07-07)
      In this issue of Chem, Fujita et al. have produced the largest synthetic self-assembled capsule to date through subtle modification of the flexibility and geometry of its constituent ligands.
    • Theoretical prediction of free-energy landscapes for complex self-assembly 

      Jacobs, William M; Reinhardt, Aleks; Frenkel, Daniel (AIP, 2015-01-09)
      We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing ...
    • Theory and Practice: Bulk Synthesis of C3B and its H2- and Li-Storage Capacity 

      King, Timothy C; Matthews, Peter D; Glass, Hugh; Cormack, Jonathan A; Holgado, Juan Pedro; Leskes, Michal; Griffin, John Matthew et al. (Wiley, 2015-03-25)
      Previous theoretical studies of C3B have suggested that boron-doped graphite is a promising H2- and Li-storage material, with large maximum capacities. These characteristics could lead to exciting applications as a lightweight ...
    • Theory and simulation of DNA-coated colloids: a guide for rational design 

      Angioletti-Uberti, Stefano; Mognetti, Bortolo M; Frenkel, Daniel (Royal Society of Chemistry, 2016-01-14)
      By exploiting the exquisite selectivity of DNA hybridization, DNA-coated colloids (DNACCs) can be made to self-assemble in a wide variety of structures. The beauty of this system stems largely from its exceptional versatility ...
    • Thermal quantum time-correlation functions from classical-like dynamics 

      Hele, Timothy (Taylor & Francis, 2017-07-03)
      Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed ...
    • Thermally reversible nanoparticle gels with tuneable porosity showing structural colour. 

      Ruff, Zachary; Cloetens, P; O'Neill, Thomas; Grey, Clare Philomena; Eiser, Erika (RSC, 2017-12)
      We present colloidal gels formed from dispersions of PEG- and PEG+DNA- coated silica nanoparticles showing structural colour. The PEG- and PEG+DNA- coated silica colloids are functionalized using exclusively covalent bonds ...
    • Thermodynamic Effective Molarities for Supramolecular Complexes 

      Motloch, Petr; Hunter, Christopher Alexander (2016-01-01)
      © 2016 Elsevier Ltd Kinetic effective molarities (EM) that quantify the increase in reaction rate for intramolecular formation of covalent bonds compared with the corresponding intermolecular process often have physically ...
    • Three-Dimensional Super-Resolution in Eukaryotic Cells Using the Double-Helix Point Spread Function 

      Carr, Alexander; Ponjavic, Aleks; Basu, Srinjan; McColl, J; Santos, AM; Davis, S; Laue, Ernest Douglas et al. (Elsevier (Cell Press), 2017-04-11)
      Single-molecule localization microscopy, typically based on total internal reflection illumination, has taken our understanding of protein organization and dynamics in cells beyond the diffraction limit. However, biological ...
    • Time-Resolved IR Spectroscopy Reveals a Mechanism with TiO2 as a Reversible Electron Acceptor in a TiO2 - Re Catalyst CO2 Photoreduction System 

      Abdellah, M; El-Zohry, AM; Antila, LJ; Windle, CD; Reisner, Erwin; Hammarström, L (American Chemical Society, 2017-01-13)
      Attaching the phosphonated molecular catalyst [Re$^{I}$Br(bpy)(CO)₃]⁰ to the wide-band gap semiconductor TiO₂ strongly enhances the rate of visible-light driven reduction of CO₂ to CO in dimethyl formamide (DMF) with ...
    • Time-resolved laser spectroscopy for the in situ characterization of methacrylate monomer flow within spruce 

      Janeček, ER; Walsh-Korb, Z; Bargigia, I; Farina, A; Ramage, Michael Hector; D Andrea, C; Nevin, A et al. (Springer, 2017-03-01)
      Time-resolved diffuse optical spectroscopy (TRS) was investigated as a nondestructive method to characterize the post-impregnation distribution of methacrylate monomers within spruce ($\textit{Picea abies}$). TRS was also ...
    • Topology optimization of microwave waveguide filters 

      Aage, N; Egede Johansen, Villads Egede
      We present a density-based topology optimization approach for the design of metallic microwave insert filters. A two-phase optimization procedure is proposed in which we, starting from a uniform design, first optimize to ...