Encapsulation of a polymer by an icosahedral virus

The coat proteins of many viruses spontaneously form icosahedral capsids around nucleic acids or other polymers. Elucidating the role of the packaged polymer in capsid formation could promote biomedical efforts to block viral replication and enable use of capsids in nanomaterials applications. To this end, we perform Brownian dynamics on a coarse-grained model that describes the dynamics of icosahedral capsid assembly around a flexible polymer. We identify several mechanisms by which the polymer plays an active role in its encapsulation, including cooperative polymer-protein motions. These mechanisms are related to experimentally controllable parameters such as polymer length, protein concentration, and solution conditions. Furthermore, the simulations demonstrate that assembly mechanisms are correlated to encapsulation efficiency, and we present a phase diagram that predicts assembly outcomes as a function of experimental parameters. We anticipate that our simulation results will provide a framework for designing in vitro assembly experiments on single-stranded RNA virus capsids.Comment: This is an author-created, un-copyedited version of an article accepted for publication in Physical Biology. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The definitive publisher authenticated version is expected to be published online in November 201

Theory for the nonequilibrium dynamics of flexible chain molecules: relaxation to equilibrium of pentadecane from an all-trans conformation

We extend to nonequilibrium processes our recent theory for the long time dynamics of flexible chain molecules. While the previous theory describes the equilibrium motions for any bond or interatomic separation in (bio)polymers by time correlation functions, the present extension of the theory enables the prediction of the nonequilibrium relaxation that occurs in processes, such as T-jump experiments, where there are sudden transitions between, for example, different equilibrium states. As a test of the theory, we consider the ``unfolding'' of pentadecane when it is transported from a constrained all-trans conformation to a random-coil state at thermal equilibrium. The time evolution of the mean-square end-to-end distance after release of the constraint is computed both from the theory and from Brownian dynamics (BD) simulations. The predictions of the theory agree very well with the BD simulations. Furthermore, the theory produces enormous savings in computer time. This work is a starting point for the application of the new method to nonequilibrium processes with biological importance such as the helix-coil transition and protein folding.Comment: 11 pages total, including 2 Postscript figures; submitted to Journal of Chemical Physic

Research and development of high temperature resistant polymeric film forming material final summary report, 1 mar. 1961 - 17 apr. 1962

Preparation of poly-organometallosiloxane polymers from reactions between bis-dialkylamino metal derivatives and silanediol

The role of packaging sites in efficient and specific virus assembly

During the lifecycle of many single-stranded RNA viruses, including many human pathogens, a protein shell called the capsid spontaneously assembles around the viral genome. Understanding the mechanisms by which capsid proteins selectively assemble around the viral RNA amidst diverse host RNAs is a key question in virology. In one proposed mechanism, sequence elements (packaging sites) within the genomic RNA promote rapid and efficient assembly through specific interactions with the capsid proteins. In this work we develop a coarse-grained particle-based computational model for capsid proteins and RNA which represents protein-RNA interactions arising both from non-specific electrostatics and specific packaging sites interactions. Using Brownian dynamics simulations, we explore how the efficiency and specificity of assembly depend on solution conditions (which control protein-protein and nonspecific protein-RNA interactions) as well as the strength and number of packaging sites. We identify distinct regions in parameter space in which packaging sites lead to highly specific assembly via different mechanisms, and others in which packaging sites lead to kinetic traps. We relate these computational predictions to in vitro assays for specificity in which cognate viral RNAs are compete against non-cognate RNAs for assembly by capsid proteins

Electrochemical polymerisation of phenol in aqueous solution on a Ta/PbO2 anode

This paper deals with the treatment of aqueous phenol solutions using an electrochemical technique. Phenol can be partly eliminated from aqueous solution by electrochemically initiated polymerisation. Galvanostatic electrolyses of phenol solutions at concentration up to 0.1 mol dm−3 were carried out on a Ta/PbO2 anode. The polymers formed are insoluble in acidic medium but soluble in alkaline. These polymers were filtered and then dissolved in aqueous solution of sodium hydroxide (1 mol dm−3). The polymers formed were quantified by total organic carbon (TOC) measurement. It was found that the conversion of phenol into polymers increases as a function of initial concentration, anodic current density, temperature, and solution pH. The percentage of phenol polymerised can reach 15%

ECUT: Energy Conversion and utilization Technologies program biocatalysis research activity. Generation of chemical intermediates by catalytic oxidative decarboxylation of dilute organic acids

A rhodium-based catalyst was prepared and preliminary experiments were completed where the catalyst appeared to decarboxylate dilute acids at concentrations of 1 to 10 vol%. Electron spin resonance spectroscoy was used to characterize the catalyst as a first step leading toward modeling and optimization of rhodium catalysts. Also, a hybrid chemical/biological process for the production of hydrocarbons has been assessed. These types of catalysts could greatly increase energy efficiency of this process

Process for preparing phthalocyanine polymer from imide containing bisphthalonitrile

Imide-linked bisphthalonitrile compounds are prepared by combining a dicyano aromatic diamine and an organic dianhydride to produce an amic acid linked bisphthalonitrile compound. The amic acid linked bisphthalonitrile compound is dehydrocyclized to produce the imide-linked bisphthalonitrile compounds. The imide-linked bisphthalonitrile compounds may be polymerized to produce a phythalocyanine polymer by heating the imide-linked bisphthalonitrile compound, either alone or in the presence of a metal powder or a metal salt. These compounds are useful in the coating, laminating and molding arts. The polymers are useful in composite matrix resins where increased fire resistance, toughness and resistance to moisture are required, particularly as secondary structures in aircraft and spacecraft

Corrosion Resistance of Steel/Zinc with Silicate Nanoparticles/Polyurethane Paint Systems in NaCl Solution

Surface characteristics and corrosion behaviour of bare electrogalvanized steel coated with polymer/nano-silicate particles added to the electrogalvanizing bath were studied by scanning electron microscopy (SEM), energy dispersive spectrometer (EDXS) and electrochemical impedance spectroscopy (EIS). After applying a barrier polyurethane paint, the paint hardness, porosity, flexibility, colour, gloss, blistering and rusting degrees, and anticorrosive protective properties in 0.05 mol·L-1 NaCl solution were also evaluated. The results correlated well and, being demonstrative of the very slow deterioration rate of the immersed coated electrogalvanized steel, they enabled to assume that if a chemically analogous but thicker coating system was applied; it could be an acceptable alternative in real service conditions.Fil: Célia R. Tomachuk. Energy And Nuclearresearch Institute; BrasilFil: Elsner, Cecilia Ines. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Tecnología de Pinturas. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigaciones en Tecnología de Pinturas; ArgentinaFil: Di Sarli, Alejandro Ramón. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Tecnología de Pinturas. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigaciones en Tecnología de Pinturas; Argentin