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Faraday Discussions - Aktuelle Forschungsartikel



Aktuelle Forschungsartikel: Physikalische Chemie

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Faraday Discussions - Herausgeber: Royal Society of Chemistry, RSC

Erörterungen, Zusammenfassungen und Forschungsarbeiten zur Physikalischen Chemie, Chemischen Physik und Biophysikalischen Chemie.




Wissenschaftliche Fachartikel:



Diversity in the mechanisms of cosolute action on biomolecular processes

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20101A, Paper
Shahar Sukenik, Liel Sapir, Regina Politi, Daniel Harries
Numerous cellular cosolutes significantly impact the way that proteins and other biomacromolecules act and interact. We have followed the thermodynamic effect of several cosolute classes, including polymers, cellular osmolytes, and...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 24 May 2012 | 1:00 am


Bio-tribology

Faraday Discuss., 2012, Advance Article
DOI: 10.1039/C2FD20103H, Paper
Duncan Dowson
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 23 May 2012 | 1:00 am


Interactions of monovalent salts with cationic lipid bilayers

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20098H, Paper
Sarka Pokorna, Piotr Jurkiewicz, Lukasz Cwiklik, Mario Vazdar, Martin Hof
The influence of different monovalent salts on the properties of lipid bilayers composed of binary mixtures of zwitterionic DOPC (dioleoylphosphatidylcholine) and cationic DOTAP (dioleoyltrimethylammoniumpropane) is experimentally measured and numerically simulated....
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 21 May 2012 | 1:00 am


Revisiting geochemical controls on patterns of carbonate deposition through the lens of multiple pathways to mineralization

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20077E, Paper
Dongbo Wang, Laura M. Hamm, Anthony J. Giuffre, Takuya Echigo, J Rimstidt, Jim DeYoreo, John Grotzinger, Patricia Dove
The carbonate sedimentary record contains diverse compositions and textures that reflect the evolution of oceans and atmospheres through geological time. Efforts to reconstruct paleoenvironmental conditions from these deposits continue to...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 17 May 2012 | 1:00 am


Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20068F, Paper
Yun Luo, Wei Jiang, Haibo Yu, Alex D. MacKerell Jr, Benoit Roux
The accuracy of the empirical force fields is critical for meaningful molecular dynamics simulations of concentrated ionic solutions. Current models are typically developed on the basis of single ion properties...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 15 May 2012 | 1:00 am


Ionic interactions in biological and physical systems: A variational treatment

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20066J, Paper
R S Eisenberg
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

Posted on 15 May 2012 | 1:00 am


Ion Cooperativity and the Effect of Salts on Polypeptide Structure-A Molecular Dynamics Study of BBA5 in Salt Solutions

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20065A, Paper
Wen Jun Xie, Yi Qin Gao
Using molecular dynamics simulations, we investigated effects of inorganic salts on the structure and dynamics of a short [small alpha],[small beta]-polypeptide BBA5. The simulations showed that three model salts, NaI, NaF, and...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 15 May 2012 | 1:00 am


Amino Acids Form Prenucleation Clusters: ESI-MS as a Fast Detection Method in Comparison to Analytical Ultracentrifugation

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20060K, Paper
Matthias Kellermeier, Rose Rosenberg, Adrian Moise, Ulrike Anders, Michael Przybylski, Helmut Coelfen
Electrospray ionisation mass spectrometry (ESI-MS) is a fast method which is able to provide molecular mass information with high precision. In this contribution, we show that prenucleation clusters - species...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 14 May 2012 | 1:00 am


Understanding ion-ion interactions in bulk and aqueous interfaces using molecular simulations.

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20093G, Paper
Liem X Dang, Xiuquan Sun, Truong Ba Tai, Bojana Ginovska-Pangovska, Harsha V. R. Annapureddy
In addition to its scientific significance, the distribution of ions in the bulk and at aqueous interfaces is also very important for practical reasons. A quantitative description of the ionic...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 14 May 2012 | 1:00 am


GSP-37, a novel goldfish scale matrix protein: identification, localization and functional analysis

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20051A, Paper
Kousei Miyabe, Hiroki Tokunaga, Hirotoshi Endo, Hirotaka Inoue, Michio Suzuki, Naoaki Tsutsui, Naoki Yokoo, Toshihiro Kogure, H. Nagasawa
A novel noncollagenous acidic protein was identified from the scales of goldfish (Carassius auratus), a freshwater teleost. Using an in vitro calcium phosphate crystallization assay, the EDTA-soluble fraction from these...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 14 May 2012 | 1:00 am


Solution Electrostatics Beyond pH: A Coarse Grained Approach to Ion Specific Interactions Between Macromolecules

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20073B, Paper
An[i without dot]l Kurut, Mikael Lund
Oblivious to ion specificity, pH has been a key parameter for macromolecular solutions for little more than a century. We here widen the concept by describing the ionization of macromolecules...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 11 May 2012 | 1:00 am


The Effect of Cholesterol on the Intrinsic Rate of Lipid Flip-Flop as Measured by Sum-Frequency Vibrational Spectroscopy

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20083J, Paper
Jin Liu, Krystal L. Brown, John Conboy
Cholesterol is a major constituent of biological membranes in mammalian cells. Experiments have shown that cholesterol influences the physical properties of the plasma membrane, such as lateral diffusion and phase...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 10 May 2012 | 1:00 am


Computer Simulation of Soft Matter at the Growth Front of a Hard-Matter Phase: Incorporation of Polymers, Formation of Transient Pits and Growth Arrest

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20044A, Paper
Richard Sear
Biominerals are typically composites of hard matter such as calcite, and soft matter such as proteins. There is currently considerable interest in how the soft matter component is incorporated into...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 9 May 2012 | 1:00 am


Ion specific effects of alkali cations on the catalytic activity of HIV protease

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20094E, Paper
Jana Pokorna, Jan Heyda, Jan Konvalinka
Human Immunodeficiency Virus 1 Protease (HIV-1 PR) as an important therapeutic target for the treatment of AIDS is one of the most studied enzymes on Earth. However, there is still...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 8 May 2012 | 1:00 am


The role of quench rate in colloidal gels

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20041D, Paper
Paddy Royall, Alex Malins
Interactions between colloidal particles have hitherto usually been fixed by the suspension composition. Recent experimental developments now enable the control of interactions in-situ. Here we use Brownian dynamics simulations to...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 4 May 2012 | 1:00 am


A Multiscale Approach to Triglycerides Simulations: From Atomistic to Coarse-Grained Models and Back

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20037F, Paper
Antonio Brasiello, Silvestro Crescitelli, Giuseppe Milano
The aim of this paper is to provide a simulation strategy to study liquid-solid transition of triglyceride. The strategy is based on a multiscale approach. A coarse-grained model, parametrized on...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 3 May 2012 | 1:00 am


How specific are ion specificities? A pilot NMR study.

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20090B, Paper
Susanne Dengler, Angelika Klaus, Gordon J T Tiddy, Werner Kunz
NMR quadruple splitting measurements are a useful technique to investigate the adsorption behaviour of ions near to charged surfaces in liquid crystals made of surfactants of different headgroups. In the...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 3 May 2012 | 1:00 am


Between Ethylenes and Polyenes - The Nonadiabatic Dynamics of cis-dienes

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20055D, Paper
Thomas S. Kuhlman, William J Glover, Toshifumi Mori, Klaus B. Moller, Todd Martinez
Using Ab Initio Multiple Spawning (AIMS) with a Multi-State Multi-Reference Perturbation theory (MS-MR-CASPT2) treatment of the electronic structure, we have simulated the non-adiabatic excited state dynamics of cyclopentadiene (CPD) and...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 2 May 2012 | 1:00 am


Ionic specific effects on the structure, mechanics and interfacial softness of a polyelectrolyte brush

Faraday Discuss., 2012, Accepted Manuscript
DOI: 10.1039/C2FD20072D, Paper
Francisco Rodriguez-Ropero, Nico van der Vegt
Polymer brushes are assemblies of polymer chains grafted with one end group to a solid surface in a number high enough so that the chains are stretched away from the...
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 1 May 2012 | 1:00 am


Semi-deterministic chemo-mechanical model of boundary lubrication

Faraday Discuss., 2012, Advance Article
DOI: 10.1039/C2FD00132B, Paper
Joel Andersson, Roland Larsson, Andreas Almqvist, Mattias Grahn, Ichiro Minami
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 1 February 2012 | 1:00 am


Cell friction

Faraday Discuss., 2012, Advance Article
DOI: 10.1039/C2FD00130F, Paper
T. E. Angelini, A. C. Dunn, J. M. Uruena, D. J. Dickrell, D. L. Burris, W. G. Sawyer
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 1 February 2012 | 1:00 am


Predictive modelling of fatigue failure in concentrated lubricated contacts

Faraday Discuss., 2012, Advance Article
DOI: 10.1039/C2FD00116K, Paper
H. P. Evans, R. W. Snidle, K. J. Sharif, M. J. Bryant
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry

Posted on 13 January 2012 | 1:00 am







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