203,284 research outputs found

    Truth-telling and Trust in Sender-receiver Games with Intervention

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    Recent experimental studies find excessive truth-telling in strategic information transmission games with conflictive preferences. In this paper, we show that this phenomenon is more pronounced in sender-receiver games where a truthful regulator randomly intervenes. We also establish that intervention significantly increases the excessive trust of receivers.Strategic information transmission, truth-telling, trust, sender-receiver game.

    Probing Structure and Mobility of Proteins in the Amorphous State at Low Hydration

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    The characterization of proteins in the dry state has implications for the pharmaceutical industry, since it provides deeper understanding of the effect of lyophilisation on the stability and biological activity of bio-macromolecular drugs. We have performed structural and dynamical analyses on a series of lyophilised and hydrated bio-macromolecules with varying degrees of structural complexity by means of Molecular Dynamics (MD) simulations; the simulated dynamical results being compared to experimental findings obtained from neutron scattering. Atomistic simulation of lyophilised proteins is still a challenge since the available force fields, and water molecule topology, used for the modelling have to be carefully correlated with experiment. Fortunately, the outputs from MD simulations, and the time and length scales probed, align directly with those accessed by neutron scattering. In particular, the method of Quasi-Elastic Neutron Scattering (QENS) can explore picosecond to nanosecond dynamics of macromolecular species and thus help validate the efficacy of the MD protocols applied. Here we report on the simulated effect of temperature and hydration on the structural features of the proteins, focusing particularly on the predicted changes in secondary structure and radial distribution. We also present a comparison of the temperature dependence of the mean squared displacement parameter, obtained by analysing the MD trajectories, with those resulting from QENS measurements

    Telling stories through space: The Mindstage Project

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    Mindstage is a real-time multi-user 3D virtual environment used to explore the relationships between a linear story and the virtual world in which it unfolds. The prototype uses as its narrative spine an illustrated lecture on film design by Christopher Hobbs. It provides a stage for interaction featuring a customized 3D environment based on this material, with the necessary actors and objects in it. The main design issues were mapping the linear talk onto the virtual space, and the implementation of various interactive features within it. We argue that a careful use of spatial design supports a degree of non-linear story-telling without compromising the core linear content

    Telling Stories / Empty Words Build Empty Homes

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    Hydration-induced dynamical changes in lyophilised and weakly hydrated apoferritin: insights from molecular dynamics simulation

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    The dynamics and functionality of proteins are significantly influenced by their interaction with water. For lyophilised (i.e. h ≤ 0.05 where h = g of H2O/g of protein) and weakly hydrated systems (i.e. h ≤ 0.38) hydration generally enhances protein mobility above the so-called ’dynamical transition’ temperature (Td > 220 K). However, a water-induced mobility hindrance at low temperatures (T<175 K), has been reported in various proteins of varying secondary structure; namely Green Fluorescent Protein (GFP), pig liver esterase, lysozyme, Ribonuclease A (RNAse A) and apoferritin. By focussing on the dynamical behaviour of the apoferritin molecule, this study proposes mechanisms driving these hydration-induced mobility changes, particularly the less understood hindrance at low temperatures. Using atomistic Molecular Dynamics (MD) simulations of horse spleen apoferritin in the lyophilised (h=0.05) and weakly hydrated (h=0.31) states, we report here the impact of water on protein dynamics as a function of temperature. Through residue-specific mean squared displacement (MSD), radial distribution function (RDF), solvent accessible surface area (SASA), local hydration degree and hydrogen bonding analyses, we demonstrate that while water proximity directly correlates with mobility enhancement at high temperatures, the hydration-induced mobility reduction observed at temperatures below 175 K is primarily propagated through the protein backbone

    Polymer and water dynamics in Poly(vinyl alcohol)/Poly(methacrylate) networks. A molecular dynamics simulation and incoherent neutron scattering investigation

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    Chemically cross-linked polymer networks of poly(vinyl alcohol)/poly(methacrylate) form monolitic hydrogels and microgels suitable for biomedical applications, such as in situ tissue replacement and drug delivery. In this work, molecular dynamics (MD) simulation and incoherent neutron scattering methods are used to study the local polymer dynamics and the polymer induced modification of water properties in poly(vinyl alcohol)/poly(methacrylate) hydrogels. This information is particularly relevant when the diffusion of metabolites and drugs is a requirement for the polymer microgel functionality. MD simulations of an atomic detailed model of the junction domain at the experimental hydration degree were carried out at 283, 293 and 313 K. The polymer-water interaction, the polymer connectivity and the water dynamics were investigated as a function of temperature. Simulation results are compared with findings of elastic and quasi-elastic incoherent neutron scattering measurements, experimental approaches which sample the same space-time window of MD simulations. This combined analysis shows a supercooled water component and a temperature dependant increase of both hydrophilicity and mobility in these amphiphilic polymer networks

    Thermo-physical investigation of low melting HFT and HSM containing calcium nitrate

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    Despite its large interesting as component for low melting HTF and HSM, very few thermodynamics information is available regarding calcium nitrate and its mixtures. In this paper the binaries between Ca(NO3)2 and both NaNO3 and KNO3 are experimentally investigate by DSC and Neutron scattering. The results show that the solid phase of the binaries is composed by a solid solution of single nitrates. The DSC pattern and the eutectic point were modeled by the regular solution theory and the fitting parameters are reported. © 2019 Author(s)

    Structural fluctuations in cross-linked matrices with narrow pore size distribution

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    The interplay between water and hydrophilic polymer matrices is object of study in many papers. Incoherent elastic, quasielastic neutron scattering and NMR low resolution relaxometry are among the most informative approaches for the understanding of the behaviour of water in confining media. A problem often occurring in these studies is the structural heterogeneity of systems such as hydrogels. As a consequence, all the investigated features are smeared in their values and the analysis of the related distributions is not an easy task to match. For this reasons, we present here an incoherent elastic neutron scattering study of hydrated polymer matrices with a narrow distribution of the pore size. The availability of such samples allows to study the relationship between the static and dynamic properties of the polymer network interacting with water. In this paper also, we propose a correlation of the parameters obtained by the analysis of incoherent elastic neutron scattering results by means of a simplified two well potential model with distinctive structural elements of the polymeric chains. © 2004 Elsevier B.V. All rights reserved
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