— An attempt is made to provide a more rigorous basis for the description of solvent effects on chemical reactions by taking into account the various free energy contributions involved in the transfer of a substrate from the gas to the solution phase. It is shown that the solvent influence on various chemical and physical processes can be represented in a semiquantitative or even quantitative w...

Acid dissociation equilibrium constants and rate constants for disulfide interchange reactions have been measured in 50% methanol at low ionic strength for peptides containing cysteines with local ionic neighboring groups. These physical constants may be correlated by separation of free energy contributions into solvent-independent and solvent-dependent factors. The former represent inductive e...

the molecular associations in the binary mixtures of (methanol/solvent), (ethanol/solvent) and (propanol/solvent) were studied using nmr, ftir and vle data at different temperatures. the activity coefficients as the most important quantities representing the mixture deviation form ideal behavior were evaluated by using various association models to express the physical and chemical contribution...

A gel consists of one or more gelling agents and a fluid (organic solvent, water, supercritical liquid) which behaves as a viscoelastic material (soft matter) due to the immobilization of solvent molecules in a three-dimensional network. This network results from the self-assembly of the gelling agent into fibres via non-covalent interactions such as hydrogen bonding, π–π stacking, van der Waal...

A novel selenadiazole-fused pyrene derivative PySe was successfully synthesized and characterized. Its single structure is almost planar and adopts a sandwich-herringbone packing model. The self-assembly behaviors based on compound PySe and its analogue thiadiazole-fused pyrene derivative PyS were studied in detail and the as-formed nanostructures were fully characterized by means of UV-vis abs...

Thin films that exhibit spatially heterogeneous swelling often buckle into the third dimension to minimize stress. These effects, in turn, offer a promising strategy to fabricate complex three-dimensional structures from two-dimensional sheets. Here we employ surface topography as a new means to guide buckling of swollen polymer bilayer films and thereby control the morphology of resulting thre...

some 2-iminothiazolidin-4-ones have been synthesized by the reaction of dialkyl acetylenedicarboxylates with thiosemicarbazones. the reaction was performed in the presence of 10 mol% of triphenylphosphine and tetrabutylammonium bromide as a phase transfer catalyst in water as a green solvent. all the synthesized compounds were characterized by their physical and spectral data.

A rigorous theoretical connection between the polarizability spectral density obtained from optical Kerr effect ~OKE! measurement with the correlation function describing solvent-induced optical dephasing detected in photon echo measurements is given. The experimentally obtained spectral density has a more reasonable physical basis than model correlation function descriptions of solvent fluctua...

The physical and chemical properties of Pyrazole and Pyrazoline molecules were theoreticallystudied by Gaussian 03, software with NMR and Molecular orbital calculations at B3LYP/6-31G andB3LYP/6-31+G(d) levels, in gas phase and solution. In this study a comparison effect of threesolvents with different dielectric constants on Pyrazole and Pyrazoline molecules in aspect energyinteraction between...