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...

The present study aims to investigate association constants, binding capacity and different thermodynamic parameters of ovalbumin-oleic acid (Oval/OA) conjugate at different temperatures using fluorescence method. Oval/OA conjugate was prepared in a phoshphate buffer solution at different temperatures. The conjugation process resulted in a change of the fluorescence emission intensity. The emis...

Topic 4.1 reviews the current status of the understanding on variability of tropical cyclone (TC) activity/intensity on intraseasonal to interannual time scales around the globe. Annually, approximately 80−90 TCs occur over the tropical oceans (Neumann 1993). The TC activities depend on thermodynamic parameters (e.g., sea surface temperature (SST), atmospheric stability, and mid-tropospheric mo...

Tropical cyclone is affected mainly by steering flow, Rossby drift and surface frictional effects. There are many models to predict the storm track. In this paper two thermodynamic parameters SWEAT and ACE are analyzed to observe the variation of these two parameters along the track of two cyclonic storms MALA and BIJLI over the Bay of Bengal. Peak ACE is found on the third day of the cyclonic ...

The thermodynamic contributions of rA·dA, rC·dC, rG·dG and rU·dT single internal mismatches were measured for 54 RNA/DNA duplexes in a 1 M NaCl buffer using UV absorbance thermal denaturation. Thermodynamic parameters were obtained by fitting absorbance versus temperature profiles using the curve-fitting program Meltwin. The weighted average thermodynamic data were fit using singular value deco...

Corn cob as a low cost adsorbent was used in the present work for the removal of toxic heavy metal Co2+ from aqueous solutions. Bath experiments were used to determine the best adsorption conditions. The equilibrium adsorption level was determined as a function of solution pH, temperature (T), contact time (tc), initial adsorbate concentration, and adsorbent dosage. Effective removal of metal i...

An analytical equation of state was applied to calculate the thermodynamic properties for argon.The equation of state is that of Song and Mason. It is based on a statistical-mechanical perturbationtheory of the hard convex bodies and can be written as fifth-order polynomial in the density. Thereexist three temperature-dependent parameters: the second virial coefficient, an effective molecularvo...

Allostery pervades macromolecular function and drives cooperative binding of ligands to macromolecules. To decipher the mechanisms of cooperative ligand binding it is necessary to define at a microscopic level the structural and thermodynamic consequences of binding of each ligand to its allosterically coupled site(s). However, dynamic sampling of alternative conformations (microstates) in allo...

Constraint-based stoichiometric models are ubiquitous in metabolic research, with Flux Balance Analysis (FBA) being the most widely used method to describe metabolic phenotypes of cells growing in steady-state. Of the many variants of constrainbased modelling methods published throughout the years, only few have focused on thermodynamic issues, in particular the elimination of non-physical and ...