Density functional theory (DFT) calculations have been performed to study properties of chitosan (Chit) as a possible vehicle for carrying metformin (Met) drug. To this aim, the singular molecules of Met and Chit have been first optimized and sixteen possible bimolecular complexes have been subsequently constructed and optimized to obtaine the stabilized interacting structures. Two bimolecular ...

although there are remarkable differences in drivers’ behavior as well as vehicles characteristics, road capacity estimationmethods in developing countries are same as developed ones. so, the discrepancy between the theoretical andpractical values of capacity is inevitable. although, capacity estimation methods can be classified based on numerousparameters, in developing countries, the availabi...

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The N, N2 system is studied to yield rate coefficients and cross sections for molecular dissociation under conditions important for assessing nonequilibrium heating of hypersonic vehicles. First principle calculations are used to generate realistic nuclear interaction potentials, and these are used with accurate molecular dynamics to yield the fundamental data required for a rigorous treatment ...

Bioinformatics is an emerging field of science emphasizing the application of mathematics, statistics, and informatics to study and analysis of very large molecular biological (mostly, genetic and genomic) systems (data sets). In a comparatively broader setup of large biological systems without necessarily having a predominant genetic undercurrent, and having genesis in biometry to biostatistic...

the aim of this manuscript is to study the implication of aluminium-oxide nanofluid for an amphibious vehicle engine (viable on land and under water) cooling system both analytically and experimentally. to achieve this, a one-dimensional model of the engine cooling system (radiator) is considered through a computational fluid code in which the mass flow rate for a range of the coolant temperatu...