The structure of liquid ethylene glycol at room temperature is examined by performing molecular dynamics ~MD! simulation studies for several different liquid phase force fields. We compare the properties obtained and analyze the differences which arise from the use of these models. A thorough study of molecular conformation and intermolecular structure for the different potential models is carr...

Homologous recombination and deletions occur during retroviral replication when reverse transcriptase switches templates. While recombination occurs solely by intermolecular template switching (between copackaged RNAs), deletions can occur by an intermolecular or an intramolecular template switch (within the same RNA). To directly compare the rates of intramolecular and intermolecular template ...

We present here the phase diagram for one of the most popular water models, the four-point transferable intermolecular potential (TIP4P) model. We show that TIP4P model, does indeed provide a qualitatively correct description of the phase diagram of water. The melting line of the five-point transferable intermolecular potential (TIP5P) at low pressures is also presented.

this study investigates propagation of mode i crack in b70 pre-stressed concrete sleepers by fracture mechanics approach. a new experimental analysis is done for notched b70 pre-stressed concrete sleepers with replica test and image analysis. a scanning electron microscope test (sem) and an image analysis are applied for the replica test in order to determine crack length and crack mouth openin...

Multimerization of thyroglobulin (TG) takes place extracellularly in the thyroid follicle lumen and is regarded as a mechanism to store TG at high concentrations. Human thyroglobulin (hTG) has been shown to multimerize mainly by intermolecular disulfide cross-links. We recently noted that TG of various mammalian species contains three highly conserved thioredoxin boxes (CXXC). This sequence is ...

heat stress is a significant occupational health and safety for workers in petrochemical industries. heat stress is a combination of heat load individual and environmental factors impose on workers’ bodies, which in turn, have impacts on workers’ performance, safety, and health. the present paper is carried out to determine the heat stress levels in workplace and to compare it with allowed wet ...

We analyze the interaction of two conducting, charged polymer chains in solution using a minimal model for their electronic degrees of freedom. We show that a crossing of the two chains in which the polymers pass within angstroms of each other leads to a decrease of the electronic energy of the combined system that is significantly larger than the thermal energy and thus promotes interchain agg...

Here we present IRIS, a method for prediction of RNA-RNA interactions that is based on dynamic programming and extends current RNA secondary structure prediction approaches. Using this method we have found a number of interesting refinements to the structures of RNA-RNA complexes that have been studied previously and predicted novel targets for several known regulatory RNAs in E. coli. The comp...

A water soluble perylene diimide molecule has been fabricated into nanofibers via a pH triggered hydrogelation route. The one-dimensional self-assembly is dominated by the intermolecular π-π stacking interactions in concert with the hydrogen bonding between the carboxylic acid side chains. The anisotropic electronic and optical properties observed for the nanofibers are consistent with the one-...