Time scales available to biomolecular simulations are limited by barriers among states in a high-dimensional configuration space. If equilibrium averages are to be computed, methods that accelerate barrier passage can be carried out by non-Boltzmann sampling. Barriers can be reduced by modifying the potential-energy function and running dynamics on the modified surface. The Boltzmann average ca...

the solubility of co2 in the primary, secondary, tertiary and sterically hindered amine aqueous solutions at various conditions was studied. in the present work, the modified kent-eisenberg (m-ke), the extended debye-hückel (e-dh) and the pitzer models were employed to study the solubility of co2 in amine aqueous solutions. two explicit equations are presented to evaluate the concentration of h...

isoniazid (inh) was studied with regard to its electrochemical treatment on a strongly alkaline solution of a poly (3,4-ethylenedioxythiophene)-modified gold electrode, using both cyclic voltammetry and controlled potential techniques. this composite electrode exhibited 4-fold higher oxidation of inh, in accordance with peak densities, than the bare gold electrode. it was used the central compo...

turbocharging an engine boosts its power by increasing the amount of input air. this task is accomplished by using the exhaust gas to power a turbine which is engaged with a compressor. the variable geometry turbocharger, vgt is a unique turbocharger that the diffuser vane angle can be changed over a wide range of positions. the mathematics of turbomachinery flow analysis is intensive and uses ...

A Monte Carlo Renormalization Group algorithm is used on the Ising model to derive critical exponents and the critical temperature. The algorithm is based on a minimum relative entropy iteration developed previously to derive potentials from equilibrium configurations. This previous algorithm is modified to derive useful information in an RG iteration. The method is applied in several dimension...

The identification and concentration of heavy metals, which may be so harmful for the body, is determined by the method of calibration-free laser-induced breakdown spectroscopy using a special strategy. First, the plasma temperature is obtained using the Boltzmann plot. Then, a line with an inappreciable self-absorption is considered for each element as the reference. The modified intensities o...

recently, gasimov and yenilmez proposed an approach for solving two kinds of fuzzy linear programming (flp) problems. through the approach, each flp problem is first defuzzified into an equivalent crisp problem which is non-linear and even non-convex. then, the crisp problem is solved by the use of the modified subgradient method. in this paper we will have another look at the earlier defuzzifi...