the interaction of brilliant green with herring sperm dna was investigated in detail by spectrometric methods in γ-cyclodextrin systems. on the condition of physiological ph, brilliant green prefers to form the 1:1 inclusion complex with γ-cyclodextrin.all the evidences indicated that the binding modes between γ-cyclodextrin-brilliant green and dna were grooving binding and partial non-classica...

in this article, we have calculated some thermodynamic properties for a system consisting of singy ionized 3he atoms and their corresponding removed electrons by employing the second quantization method at finite temperature. to perform the calculations, we have considered the kinetic term, and coulomb interaction between the particles in our hamiltonian. the calculated properties are free ener...

In this article, we have calculated some thermodynamic properties for a system consisting of singy ionized 3He atoms and their corresponding removed electrons by employing the second quantization method at finite temperature. To perform the calculations, we have considered the kinetic term, and Coulomb interaction between the particles in our Hamiltonian. The calculated properties are free ener...

We have employed electronic structure calculations and the recently proposed multi-structural (MS) anharmonicity method to calculate partition functions and thermodynamic quantities, in particular entropy and heat capacity, for n-heptane and isoheptane. We included all structures, of which there are 59 for n-heptane and 37 for isoheptane, and we carried out the calculations both in the local ha...

Thermodynamic study on the interaction of β-CD with poly ethylene oxide and poly acrylic acid was performed by isothermal titration calorimetry at 298K. when β-CD is added to the interpolymer complex, competition is created between host-guest and Hydrogen bond. Enthalpy of interaction between the β-CD and interpolymer complex was calculated using the extended solvation theory. P=1 Shows that w...

In this paper, design and optimization procedures are developed for a conventional extractive distillation sequence and a thermally coupled extractive distillation scheme. The proposedmethodologies detect the optimal values of the design variables in order to guarantee theminimumenergy consumption. It was found that the optimumenergy consumption can be related to the minimum total annual operat...

in this study some thermodynamic parameters including freezing point, boiling point and the vapor pressure of urmia lake salt water were investigated as some important environmentally monitored physicochemical properties of urmia lake. in this regard salt concentration is chiefly responsible for the modification of the thermodynamic properties of urmia lake water which affects its overall envir...

We have investigated the electronic structure and thermodynamic properties of supercell of the -Al2O3 by first-principles calculation in framework of density functional theory (DFT) and full potential linearized augmented plane wave (FP-LAPW) with generalized gradient approximation (GGA) and by quasi-harmonic Debye model. Our calculated value for direct band gap of α-Al2O3 is 7.2 eV which i...

in this study some thermodynamic parameters including freezing point, boiling point and the vapor pressure of urmia lake salt water were investigated as some important environmentally monitored physicochemical properties of urmia lake. in this regard salt concentration is chiefly responsible for the modification of the thermodynamic properties of urmia lake water which affects its overall en...