the aim of the present study was to prepare new cluster (b6c4si) as an antibiotic carrier. density functional theory (dft) method at the b3lyp level of theory in conjugate with the 6-311g** basis set was used to evaluate the interaction between b6c4si cluster and penicillin. binding parameters, homo, lumo and homo- lumo gap were calculated. results show the ‍ b6c4si homo–lumo gap value of 0.13...

the interaction of copper oxide nanoparticles and copper ions and proteinase k from tritirachium album limber has been investigated employing uv spectroscopy and kinetics measurements. the aim of this study was to evaluate the effect of nanoparticles of cuo for proteinase k. in this paper we compare the effect of copper oxide nanoparticles with the effect of copper ions on proteinase k stabilit...

in this study, the performance of an irreversible regenerative brayton cycle is sought through power maximizations using finite-time thermodynamic concept in finite-size components. optimizations are performed using a genetic algorithm. in order to take into account the finite-time and finite-size concepts in the current problem, a dimensionless mass-flow rate parameter is used to deploy time v...

In this study, the performance of an irreversible regenerative Brayton cycle is sought through power maximizations using finite-time thermodynamic concept in finite-size components. Optimizations are performed using a genetic algorithm. In order to take into account the finite-time and finite-size concepts in the current problem, a dimensionless mass-flow rate parameter is used to deploy ti...

expanded graphite nanosheets (eg-nanosheets) were used for adsorption of malachite green (mg) from aqueous solution. the influences of dye concentrations, absorbent dosage, ph values and the temperatures on the adsorption were investigated as well. the dye adsorption experiments were carried out by utilizing batch procedure. eg-nanosheets were initially characterized by scanning electron micros...

In this study, the performance of an irreversible regenerative Brayton cycle is sought through power maximizations using finite-time thermodynamic concept in finite-size components. Optimizations are performed using a genetic algorithm. In order to take into account the finite-time and finite-size concepts in the current problem, a dimensionless mass-flow rate parameter is used to deploy ti...

The modified square well Potential is combined with perturbed-hard-trimer-chain (PHTC) EOS to predict the solubility parameter of several fluids including alkanes, refrigerants and molten polymers. The performance of the proposed model has been evaluated by predicting the solubility parameter of 12 hydrocarbons,3 refrigerants, and 12 polymers. From the 263 data points for hydrocarbons and refri...

it seems using the maxwell-stefan (m-s) diffusion model in combination with the vacancy solutiontheory (vst) and the single-component adsorption data provides a superior, qualitative, andquantitative prediction of diffusion in zeolites. in the m-s formulation, thermodynamic factor (г) isan essential parameter which must be estimated by an adsorption isotherm. researchers usually utilizethe simp...

We investigate perturbative thermodynamic geometry of nonextensive ideal classical, Bose, and Fermi gases. We show that the intrinsic statistical interaction of nonextensive Bose (Fermi) gas is attractive (repulsive) similar to the extensive case but the value of thermodynamic curvature is changed by a nonextensive parameter. In contrary to the extensive ideal classical gas, the nonextensive on...

This study is intended to provide the mathematical foundation for the numerical computation of the parameter identification problems of the three-dimensional two-layer thermodynamic system of sea ice. The non-smooth thermodynamic system with mixed boundary conditions is established, its properties are obtained and the first-order necessary conditions of the parameter identification problem of t...