Anfinsen’s thermodynamic hypothesis is reviewed and misunderstandings are clarified. It really should be called the thermodynamic principle of protein folding. Energy landscape is really just the mathematical graph of the Gibbs free energy function ( ) X; , N G U E , a very high dimensional hyper surface. Without knowing it any picture of the Gibbs free energy landscape has no theoretical base,...

The interaction between methyl red (azo dye) and cetylpyridinium chloride (cationic surfactant) in the methanol-water system were studied using a spectrophotometric technique. Variable parameters like constant dye concentration its structure, surfactant concentration, pH, absorbance, solvent composition studied. Using UV-Vis technique, critical micelle concentrations (CMCs) of measured with red...

The morpholinium cation based ionic liquids are designed to evaluate the thermophysical, chemical reactivity, and biological activity. To estimate and design the bioactive ILs, propionate and trihalopropanoate were considered under theoretical study by Density Functional Theory (DFT). To make effect of halogens atom on anion, propionate, trifluro propionate, trichloro propionate, and tribromo p...

The substitution reaction of pure, silicon doped and germanium doped fullerenes and tetryl were evaluated computationally at two configurations, in this study. For this purpose, all of the studied structures were optimized geometrically and then IR and NBO calculations were performed on them in the temperature range of 300-400 K at 10˚ intervals. The obtained negative values of Gibbs free energ...

A series of modified saccharin sulfonamides have been designed as carbonic anhydrase (CA) inhibitors and synthesized. Their binding to CA isoforms I, II, VII, XII, and XIII was measured by the fluorescent thermal shift assay (FTSA) and isothermal titration calorimetry (ITC). Saccharin bound the CAs weakly, exhibiting the affinities of 1-10 mM for four CAs except CA I where binding could not be ...

The aim of this study was to identify compounds that possess anticonvulsant activity by using a pentylenetetrazol (PTZ)-induced seizure model. Theoretical studies of a set of ligands, explored the binding affinities of the ligands for the GABA(A) receptor (GABA(A)R), including some benzodiazepines. The ligands satisfy the Lipinski rules and contain a pharmacophore core that has been previously ...

This paper deals with stationary Gibbsian point processes on the plane with an interaction that depends on the tiles of the Delaunay triangulation of points via a bounded triangle potential. It is shown that the class of these Gibbs processes includes all minimisers of the associated free energy density and is therefore nonempty. Conversely, each such Gibbs process minimises the free energy den...