Faraday Discussions
Discussion summary and research papers, in physical chemistry, chemical physics and biophysical chemistry.
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Alexandre Nicolas and Jean-Louis Barrat
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00067B, Paper
DOI: 10.1039/C3FD00067B, Paper
We study a mesoscopic model for the flow of amorphous solids. The model is based on the key features identified at the microscopic level, namely peri- ods of elastic deformation...
Haifeng Yuan, Saumyakanti Khatua, Peter Zijlstra and Michel Orrit
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00091E, Paper
DOI: 10.1039/C3FD00091E, Paper
Building upon previous reports of dynamical heterogeneity in supercooled glycerol probed with single dye molecules, we have investigated the rotational diffusion in glycerol of much larger objects, single gold nanorods....
Michael N. R. Ashfold
Faraday Discuss., 2013, Advance Article
DOI: 10.1039/C3FD00090G, Paper
DOI: 10.1039/C3FD00090G, Paper
Wilmar van Grondelle, Sophie Lecomte, Carmen Lopez-Iglesias, Jose M Manero, Roland Cherif-Cheikh, Maité Paternostre and Céline Valery
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00054K, Paper
DOI: 10.1039/C3FD00054K, Paper
The native hierarchical self-assembly process of natural Somatostatin-14, a highly aromatic and charged peptide hormone involved in various inhibitory functions, was investigated by mainly vibrational spectroscopy (ATR-FTIR and Raman scattering)...
Charles T. Campbell and Jason R. V. Sellers
Faraday Discuss., 2013, Advance Article
DOI: 10.1039/C3FD00094J, Paper
DOI: 10.1039/C3FD00094J, Paper
Richard H. Henchman and Stuart H Cockram
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00080J, Paper
DOI: 10.1039/C3FD00080J, Paper
The case for liquid water having non-tetrahedral as well as tetrahedral coordination is put forward. Given the dependence of structure on the hydrogen bond definition, a recent conceptual breakthrough has...
James J Towey, Alan K Soper and Lorna Dougan
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00084B, Paper
DOI: 10.1039/C3FD00084B, Paper
Cryoprotectant molecules are widely utilised in basic molecular research through to industrial and biomedical applications. The molecular mechanisms by which cryoprotectants stabilise and protect molecules and cells, along with suppressing...
Deepa Subramanian, Christopher T Boughter, Jeffery Klauda, Boulam Hammouda and Mikhail A Anisimov
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00070B, Paper
DOI: 10.1039/C3FD00070B, Paper
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.
Jeremy Cord Palmer, Car Roberto and Pablo G Debenedetti
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00074E, Paper
DOI: 10.1039/C3FD00074E, Paper
We investigate the metastable phase behaviour of the ST2 water model under deeply supercooled conditions. The phase behaviour is examined using umbrella sampling (US) and well-tempered metadynamics (WT-MetaD) simulations to...
Andrew J Alexander, Martin R Ward, Andrew D. Ward and Stanley W Botchway
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00089C, Paper
DOI: 10.1039/C3FD00089C, Paper
Measurements of second-harmonic scattering (SHS) from concentrated aqueous solutions of urea are reported for the first time using scanning microscopy. SHS signal was measured as a function of solution concentration...
Artur Manuel Cavaco-Paulo, Eugénia Nogueira, Ana Loureiro, Patrícia Nogueira, Jaime Freitas, Catarina R. Almeida, Johan Härmark, Hans Hebert, Alexandra Moreira, Alexandre M. Carmo, Ana Preto and Andreia Gomes
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00057E, Paper
DOI: 10.1039/C3FD00057E, Paper
Liposomes and protein based nanoparticles were tuned with different polymers and glycolipids to improve stealth and thus decrease their clearance by macrophages. Liposomes were coated with polyethylene glycol (PEG) and...
Alex Malins, Jens Eggers, Hajime Tanaka and Paddy Royall
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00078H, Paper
DOI: 10.1039/C3FD00078H, Paper
We use a newly-developed method to identify local structural motifs in a popular model glassformer, the Kob-Andersen binary Lennard-Jones mixture. By measuring the lifetimes of a zoo of clusters, we...
Oscar Bertran, David Curcó, David Zanuy and Carlos Aleman
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00079F, Paper
DOI: 10.1039/C3FD00079F, Paper
The structure and stability of the nanotube obtained by assembling peptide-polymer conjugates consisting of two poly(n-butyl acrylate) blocks coupled to the cyclic (D-alt-L)-octapeptide cyc[(L-Gln-D-Ala-L-Lys-D-Ala)2], have been investigated at the molecular...
Bonduelle Colin, Silvia Mazzaferro, Huang Jin, Olivier Lambert, Andreas Heise and Sébastien Lecommandoux
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00082F, Paper
DOI: 10.1039/C3FD00082F, Paper
Block copolymers combining peptide and saccharide moieties may play a significant role in future applications of polymers in biology as they can be viewed as simplified synthetic analogues of glycosylated...
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00072A, Paper
DOI: 10.1039/C3FD00072A, Paper
The role of concentration fluctuation and micro-heterogeneity in aqueous methanol mixtures are examined by two different methods: computer simulations of two systems size of 2048 and 16384 molecules, and site-site...
Eberhard Riedle, Maximilian Bradler, Matthias Wenninger, Christian F. Sailer and Igor Pugliesi
Faraday Discuss., 2013, Advance Article
DOI: 10.1039/C3FD00010A, Paper
DOI: 10.1039/C3FD00010A, Paper
Johannes Ofner, Katharina A. Kamilli, Andreas Held, Bernhard Lendl and Cornelius Zetzsch
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00093A, Paper
DOI: 10.1039/C3FD00093A, Paper
The concurrent presence of high values of organic SOA precursors and reactive halogen species (RHS) at very low ozone concentrations allows the formation of halogen-induced organic aerosol, so-called XOA, in...
Wu Wang, Yoshiteru Iinuma, Ariane Kahnt, Oxana Ryabtsova, Anke Mutzel, Reinhilde Vermeylen, Pieter Van der Veken, Willy Maenhaut, Hartmut Herrmann and Magda Claeys
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00092C, Paper
DOI: 10.1039/C3FD00092C, Paper
In the present work, we have evaluated whether isomeric C5-alkene diols (1,2-dihydroxy-2-methyl-3-butene, 1,2-dihydroxy-3-methyl-3-butene, and 1,4-dihydroxy-2-methyl-2-butene (cis+trans)), which have first been detected upon photooxidation of isoprene in the absence of NO...
A comparative study on bulk and nanoconfined water by time-resolved optical Kerr effect spectroscopy
Andrea Taschin, Paolo Bartolini, Agnese Marcelli, Roberto Righini and Renato Torre
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00060E, Paper
DOI: 10.1039/C3FD00060E, Paper
The low frequency (ν < 500 cm-1) vibrational spectra of hydrated porous silica are specifically sensitive to the hydrogen bond interactions and provide a wealth of information on the structural...
David Picconi, Francisco José Avila Ferrer, Roberto Improta, Alessandro Lami and Fabrizio Santoro
Faraday Discuss., 2013, Advance Article
DOI: 10.1039/C3FD20147C, Paper
DOI: 10.1039/C3FD20147C, Paper
David T. Limmer and David Chandler
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00076A, Paper
DOI: 10.1039/C3FD00076A, Paper
Water famously expands upon freezing, foreshadowed by a negative coefficient of expansion of the liquid at temperatures close to its freezing temperature. These behaviors, and many others, reflect the energetic...
Eric A. Gobrogge, Brittany Lauren Woods and Robert Walker
Faraday Discuss., 2013, Accepted Manuscript
DOI: 10.1039/C3FD00071K, Paper
DOI: 10.1039/C3FD00071K, Paper
Second order nonlinear optical spectroscopy has been employed to examine the organization of four different liquids at the hydrophilic silica/liquid interface. The liquids – cyclohexane, methylcyclohexane, 1 propanol, and 2-propanol...
Brenden C. Arruda, Broc Smith, Kenneth G. Spears and Roseanne J. Sension
Faraday Discuss., 2013, Advance Article
DOI: 10.1039/C3FD20149J, Paper
DOI: 10.1039/C3FD20149J, Paper
Kirill Prozument, Rachel Glyn Shaver, Monika A. Ciuba, John S. Muenter, G. Barratt Park, John F. Stanton, Hua Guo, Bryan M. Wong, David S. Perry and Robert W. Field
Faraday Discuss., 2013, Advance Article
DOI: 10.1039/C3FD20160K, Paper
DOI: 10.1039/C3FD20160K, Paper
Gareth M. Roberts, Craig A. Williams, Hui Yu, Adam S. Chatterley, Jamie D. Young, Susanne Ullrich and Vasilios G. Stavros
Faraday Discuss., 2013, Advance Article
DOI: 10.1039/C2FD20140B, Paper
DOI: 10.1039/C2FD20140B, Paper
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