Faraday Disc.

Syndicate content RSC - Faraday Discuss. latest articles
RSC - Faraday Discuss. latest articles
Updated: 1 day 4 hours ago

FD 171: Coherent dynamics of the charge density wave gap in tritellurides

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00045E, PaperMartin Wolf, Laurenz Rettig, Uwe Bovensiepen, Ian Fisher, Jiun-Haw Chu
The dynamics of the transient electronic structure in the charge density wave (CDW) system RTe3 (R = rare-earth element) is studied using time- and angleresolved photoemission spectroscopy (trARPES). Employing a...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 172: Laser Heated Boron Doped Diamond Electrodes: Effect of Temperature on Outer Sphere Electron Transfer Processes

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00044G, PaperJames I Iacobini, Lingcong Meng, Maxim Joseph, Julie V Macpherson, mark e newton
This is an Accepted Manuscript, which has been through the RSC Publishing peer review process and has been accepted for publication. Accepted manuscripts are published online shortly after acceptance. This version of the article will be replaced by the fully edited, formatted and proof read Advance Article as soon as this is available.
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 171: Multiple ionization and fragmentation dynamics of molecular iodine studied in IR-XUV pump-probe experiments

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00031E, PaperKirsten Schnorr, Arne Senftleben, Georg Schmid, Artem Rudenko, Moritz Kurka, Kristina Meyer, Lutz Foucar, Matthias Kubel, Matthias Kling, Yuhai Jiang, Stefan Dusterer, Rolf Treusch, Claus-Dieter Schroter, Joachim Ullrich, Thomas Pfeifer, Robert Moshammer
The ionization and fragmentation dynamics of iodine molecules (I_2) is traced using very intense (~10^14 W/cm2) ultra-short ([similar]60 fs) light pulses with 87 eV photons of the Freeelectron LASer at...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 171: X-ray absorption spectroscopy with time-tagged photon counting. Application to study the structure of Co(I) intermediate of H2 evolving photo-catalysts

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00035H, PaperGrigory Smolentsev, Alexander Alexandrovich Guda, Markus Janousch, Christophe Frieh, Gaudenz Jud, Flavio Zamponi, Murielle Chavarot-Kerlidou, Vincent Artero, Jeroen van Bokhoven, Maarten Nachtegaal
In order to probe the structure of reaction intermediates of photochemical reactions a new setup for laser-initiated time-resolved X-ray absorption (XAS) measurements has been developed. With this approach the arrival...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 171: The sensitivities of high-harmonic generation and strong-field ionization to coupled electronic and nuclear dynamics

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00018H, PaperDenitsa Baykusheva, Peter Kraus, Song Bin Zhang, Nina Rohringer, Hans Jakob Worner
The sensitivities of high-harmonic generation (HHG) and strong-field ionization (SFI) to coupled electronic and nuclear dynamics are studied, using the nitric oxide (NO) molecule as an example. A coherent superposition...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD172:Electrochemical Characterisation of Graphene Nanoflakes with Functionalised Edges

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00034J, PaperKatherine B Holt, Mailis M Lounasvuori, Martin Rosillo-Lopez, Christoph G. Salzmann, Daren J Caruana
Graphene nanoflakes (GNF) of diameter ca. 30 nm and edge-terminated with carboxylic acid or amide functionalities were characterised electrochemically after drop-coating onto a boron-doped diamond (BDD) electrode. In the presence...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 171: Signal to noise considerations for single crystal femtosecond time resolved crystallography of Photoactive Yellow Protein

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00011K, PaperJasper van Thor, Mark R Warren, Craig N. Lincoln, Matthieu Chollet, Henrik Till Lemke, David M. Fritz, Marius Schmidt, Jason J. Tenboer, Zhong Ren, Vukica Srajer, Keith Moffat, Tim Graber
Femtosecond time resolved pump-probe protein X-ray crystallography requires highly accurate measurements of the photoinduced structure factor amplitude differences. In the case of femtosecond photolysis of single P63 crystals of the...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 171: Emerging Photon Technologies for Probing Ultrafast Molecular Dynamics

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00015C, PaperNora Berrah, Li Fang, Timur Osipov, Zoltan Jurek, Brendan F Murphy, Robin Santra
The understanding of physical and chemical changes at an atomic spatial scale and on the time scale of atomic motion is essential for a broad range of scientific fields. A...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 172: Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD anodes

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00049H, PaperBernd Elsler, Dieter Schollmeyer, Siegfried R Waldvogel
The first direct oxidative phenol-arene cross-coupling reactions of an iodine-containing guaiacol derivative and possible over-oxidation products of electron-rich phenols are described. Hereby, a "green" and targeted synthesis for dibenzofurans was...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 170: Mechanochemical synthesis of Au, Pd, Ru and Re nanoparticles with lignin as a bio-based reducing agent and stabilizing matrix

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00053F, PaperMonika J Rak, Tomislav Friscic, Audrey H Moores
A versatile, low-energy and solvent-free method to access nanoparticles (NPs) of four different transition metals, based on a bottom-up mechanochemical procedure involving milling of inorganic precursors, is presented. Lignin, a...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 170: Mechanochemical production of phenyl cations through heterolytic bond scission

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00027G, PaperTomohiro Shiraki, Charles Diesendruck, Jeff Moore
High mechanical forces applied to polymeric materials typically induce unselective chain scission. For the last decade, mechanoresponsive molecules, mechanophores, have been designed to harness the mechanical energy applied to polymers...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 171: Sub-THz specific relaxation times of hydrogen bond oscillations in E.coli thioredoxin. Molecular dynamics and statistical analysis.

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00029C, PaperTatiana Globus, Igor Sizov, Boris Gelmont
Hydrogen bonds (H-bonds) in biological macromolecules are important for molecular structure and functions. Since interactions via hydrogen bonds are weaker than covalent bonds, it can be expected that atomic movements...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 171: Approaches to time-resolved diffraction using and XFEL

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00025K, PaperJohn Spence
We describe several schemes for time-resolved imaging of molecular motion using a free-electron laser (XFEL), in response to the many challenges and opportunities which XFEL radiation has created for accurate...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 172: Glutamate biosensors based on diamond and graphene platforms

19 April, 2014 - 09:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00032C, PaperJingping Hu, Sirikarn Wisetsuwannaphum, J S Foord
L-glutamate is one of the most important neurotransmitters in the mammalian central nervous system, playing a vital role in many physiological processes and implicated in several neurological disorders, for which...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 172: Nanodiamond surface redox chemistry: influence of physicochemical properties on catalytic processes

17 April, 2014 - 08:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00041B, PaperThomas Varley, Katherine B Holt, George Harrison, Meetal Hirani
Modification of an electrode with an immobilised layer of nanodiamond is found to significantly enhance the recorded currents for reversible oxidation of ferrocene methanol (FcMeOH). Current enhancement is related to...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 169: Exploring Genomes with a Game Engine

17 April, 2014 - 08:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C3FD00152K, PaperJeremiah J Shepherd, Lingxi Zhou, William Arndt, Yan Zhang, W. Jim Zheng, Jijun Tang
More and more evidence indicates that the 3D conformation of eukaryotic genome is a critical part of genome function. However, due to the lack of accurate and reliable 3D genome...
The content of this RSS Feed (c) The Royal Society of Chemistry

A GPU-accelerated immersive audiovisual framework for interaction with molecular dynamics using consumer depth sensors

15 April, 2014 - 07:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00008K, PaperDavid Ryan Glowacki, Michael O'Connor, Gaetano Calabro, James Price, Philip Tew, Thomas Mitchell, Joseph Hyde, David Tew, David J Coughtrie, Simon McIntosh-Smith
With advances in computational power, the rapidly growing role of computation-al/simulation methodologies in the physical sciences, and the development of new human-computer interaction technologies, the field of interactive molecular dynamics...
The content of this RSS Feed (c) The Royal Society of Chemistry

GPU-Accelerated Analysis and Visualization of Large Structures Solved by Molecular Dynamics Flexible Fitting

13 April, 2014 - 06:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00005F, PaperJohn E Stone, Ryan McGreevy, Barry Isralewitz, Klaus Schulten
Hybrid structure fitting methods combine data from cryo-electron microscopy and X-ray crystallography with molecular dynamics simulations for the determination of all-atom structures of large biomolecular complexes. Evaluating the quality-of-fit obtained...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD169: Haptic-driven, interactive drug design: implementing a GPU-based approach to evaluate the induced fit effect.[space]

9 April, 2014 - 05:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C3FD00139C, PaperAthanasios Anthopoulos, Gaia Pasqualetto, Ian Grimstead, Andrea[space] Brancale
In this paper, we describe a hybrid meta-heuristics method of energy minimization and conformational sampling and its application into our haptic-driven molecular modelling simulator. The proposed method has been designed...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 170: Supramolecular Control of Solid-State Reactivity: From Mechanochemistry to Catalysis "Liquid-assisted vortex grinding supports the single-step solid-state construction of a [2.2]paracyclophane"

9 April, 2014 - 05:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00006D, Paperjelena Stojakovic, Brian S. Farris, Len R MacGillivray
We employ vortex grinding to generate a [2.2]paracyclophane in the organic solid state. The vortex grinding is aided with the addition of a small amount of liquid phase to facilitate...
The content of this RSS Feed (c) The Royal Society of Chemistry

WebElements: the periodic table on the WWW [http://www.webelements.com/]

Copyright 1993-2011 Mark Winter [The University of Sheffield and WebElements Ltd, UK]. All rights reserved.