Forces dictating colloidal interactions between viruses and soil

The fate and transport of viruses in soil and aquatic environments were studied with respect to the different forces involved in the process of sorption of these viruses on soil particles. In accordance with the classical DLVO theory, we have calculated the repulsive electrostatic forces and the attractive van der Waals forces. Bacteriophages have been used as model sorbates, while different clays have been used as model sorbents. The equations used for the determination of the change in free energy for the process (deltaG) takes into consideration the roughness of the sorbent surfaces. Results indicate that attractive van der Waals forces predominate the process of sorption of the selected bacteriophages on clays.     

Partial solubility parameters of chlorobenzene and chlorophenol compounds at equilibrium distribution in two immiscible phases

Partial solubility parameters of chlorobenzene and chlorophenol compounds at equilibrium distribution in two immiscible phases such as soil-water system were studied. An integral distribution equilibrium equation is derived from the concept of partial solubility parameters and Flory-Hungins equation. Twelve chlorobenzenes and nineteen chlorophenols were employed in this study and their partial solubility parameters including dispersion( (δ_d),and polar van der Waals (δ_p), as well as their electron acceptor and donor solubility parameters (δ_a and δ_b) were calculated.Hildebrand's solubility parameter(δ) of the compounds was also obtained by using boiling point and formula.HPLC was performed by octadecyl-bonded phase as the stationary phase with methanol or acetonitrile as the mobile phase to determine the capacity factor k′ of all compounds for the calculation of δ_a and δ_b.     

Modeling solubility of CO<Subscript>2</Subscript>/hydrocarbon gas in ionic liquid ([emim][FAP]) using Aspen Plus simulations

The Peng-Robinson equation of state with quadratic van der Waals (vdW) mixing rule model was chosen to perform the thermodynamic calculations in Flash3 column of Aspen Plus to predict the solubility of CO₂ or any one of the hydrocarbons (HCs) among methane, ethane, propane, and butane in an ionic liquid 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([emim][FAP]). Bubble point pressure, solubility, bubble point temperature, fugacity, and partial molar volume at infinite dilution were obtained from the simulations, and enthalpy of absorption, Gibbs free energy of solvation, and entropy change of absorption were estimated by thermodynamic relations. Results show that carbon chain length has a significant effect on the bubble point pressure. Methane has the highest bubble point pressure among all the considered HCs and CO₂. The bubble point pressure and fugacity variation with temperature is different for CO₂ as compared to HCs for mole fractions above 0.2. Two different profiles are noticed for enthalpy of absorption when plotted as a function of mole fraction of gas soluble in IL. Partial molar volume of CO₂ decreases with increase in temperature in [emim][FAP], while it is increased for HCs. Bubble point temperature decreases with increase in the mole fraction of the solute. Entropy of solvation increases with temperature till a particular value followed by a decrease with further increase in temperature. Gibbs free energy change of solvation showed that the process of solubility was spontaneous.     

A new structure-affinity relationship for TCDD receptor binding

We have investigated the capacity of various indoles to inhibit specific binding of [1,6-³H]2,3,7,8-tetrachlorodibenzo- -dioxin ([³H]TCDD) in rat liver cytosol, as analyzed by electrofocusing in polyacrylamide gels. Of these indoles, indolo[3,2- ]carbazole was the most active. The IC₅₀ value for TCDD receptor binding of indolo[3,2- ]carbazole as well as for 2,3,7,8-tetrachlorodibenzofuran was 3.6 nM. We have also studied the influence on binding exerted by introduction of some substituents on indolo[3,2- ]carbazole. Substitution with methyl groups at the 5 and 11 positions resulted in an increased affinity (IC₅₀ 1.2 nM) for the TCDD receptor as compared to the parent compound. Computer-supported molecular structure studies indicated that if the van der Waals radii of atoms are included, a rectangle of 6.8 × 13.7 Å may account for the binding of high-affinity ligands to the TCDD receptor.