Kinetics Monte Carlo simulation has been done for solving Master equation about dynamics of intracellular viral reaction kinetics. Scaling relationship between equilibrium time and initial population of template has been founded as power low, ( ) b eq time f N aN  , where N , ( ) eq time f N are the number of initial population of template species , equilibrium time, a = 274.2, b = 0.1378 resp...

— Using the Gaussian Ansatz for the monomer–monomer correlation functions we derive a set of the self–consistent equations for determination of the conformational state in the bead–and–spring copolymer model. The latter is based on the Edwards type effective free energy functional with arbitrary two–body interaction matrix. The rate of conformational changes in kinetics may be expressed via the...

in the present study, removal of dibenzothiophene (dbt) from model oil (n-hexane) was investigated using magnetic activated carbon (mac) nano-composite adsorbent. the synthesized nano-composite was characterized by ft-ir, fe-sem, bet and vsm techniques. the mac nano-composite exhibited a nearly superparamagnetic property with a saturation magnetization (ms) of 29.2 emu g-1, which made it desira...

Background & Aims of the Study:  The increasing levels of toxic heavy metals discharged into the environment have received considerable attention due to the adverse effects on receiving waters. Therefore, the developed adsorbent was assessed for its practical role in removal of metal ions from industrial wastewater. The purpose of the present work is to investigate the removal of Ni(II) an...

We recently derived a Markov model for macromolecular ligand binding dynamics from few physical assumptions and showed that its stationary distribution is the grand canonical ensemble [J. W. R. Martini, M. Habeck, and M. Schlather, J. Math. Chem. 52, 665 (2014)]. The transition probabilities of the proposed Markov process define a particular Glauber dynamics and have some similarity to the Metr...

A theoretical study of the kinetics and mechanism of second-order intermolecular C.) cloadd it ion of 2-Ethyny1-2,3-Dihydrofurane and Phenyl Azide was performed using DFT method at 101.111 le) cl of theory with 6-31 PrEG(d,p) basis set at 298.15K. Equilibrium molecular geometries and harmonic ) ihrational frequencies ofthe reactants, transition state, and product were calculated. The kinetic an...