Dynamic sorption of ionizable organic compounds (IOCs) and xylene from water using geomaterial-modified montmorillonite.

Adsorption of phenols and xylene onto composite material, Na-montmorillonite, activated carbon, cement and water mixture, 70%, 7%, 7% and 16% (w/w/w/w), respectively, was studied at pH values of 5.15, 4.55, 5.2 and 4.9, respectively, of phenol, 2-CP, 2-NP and xylene. Equilibrium isotherms and fixed-bed column studies were undertaken to evaluate the performance of clay-active coal-coated cement (CACC) in removing phenols from aqueous solution. Investigations revealed CACC to be a very efficient media for the removal of phenols from water. The suitability of the Langmuir adsorption model to the equilibrium data was investigated for all phenols-adsorbent systems. At the maximum sorption capacity of the composite material it was found that the uptake (mg phenols/g) of phenols increased in the order 2-CP>2-NP>phenol approximately m-xylene as do their solubilities. The LUB design approach was used to determine the equivalent length of unused bed. The lower LUB values imply a better utilization of CACC composite. A model, which considered the effect of axial dispersion, was successfully used to describe the fixed-bed operation, the axial dispersion coefficient increased significantly with solubility.

Removal of sulfacid brilliant pink from an aqueous stream by adsorption onto surfactant-modified Ti-pillared montmorillonite.

A modified hydrophobic and organophilic pillared clay (CTAC-TiH-montm) was prepared by exchanging some Ti polymeric cations into the interlamellar space of one Algerian montmorillonite (montm) and then by co-adsorption of some surfactant molecules such as cetyltrimethylammonium chloride (CTAC). These new materials were used in adsorption of an anionic textile dye: Sulfacid brilliant pink (SAP). According to adsorption isotherms, the organic modification of Ti-montmorillonite clay by CTAC surfactant increases the amount of textile dye fixed to more than 1000 mg g(-1). The adsorption experiments showed that a ratio of 3 mmol of CTAC per g of clay and an acidic medium (pH = 4) were the optimal parameters necessary to obtain good adsorption uptake and colourless treated solutions. A comparative study proved the high adsorption capacity of the synthesised adsorbents; they can thus be considered as powerful competitors to activated carbon in the treatment of aqueous textile plants and industry effluents.

A desorption-dissolution model for metal release from polluted soil under reductive conditions.

Various natural or provoked situations can cause significant variations in redox conditions that can induce reductive dissolution of soil components. When this happens, heavy metals that may be bound to solid phases are released. A surface desorption-dissolution model, which takes into account the effect of reductive conditions on surface site density, was established. This model is based on conventional reactions of surface hydroxyl groups, surface complexation reactions with cations and double-layer theory. The solid dissolution rate was taken into account, by following changes in total surface site number (i.e., cation exchange capacity [CEC]) under reductive conditions. This term was introduced in an electrostatic desorption model. Curves obtained by this calculation provided a good fit of experimental data as shown by statistical parameters. Experimental data corresponded to Pb and Cd released from a cultivated soil under reductive conditions induced by sodium ascorbate.

Inhibition of arylesterase by aliphatic alcohols.

The inhibition of arylesterase (EC 3.1.8.1) by 11 aliphatic alcohols (one to seven carbon atoms) was studied in blood serum from healthy donors. Inhibition curves were described by the Hill equation, with a Hill coefficient (n) close to unity, except for some alcohols, mainly the lowest. The inhibiting activity of the alcohols was highly dependent on their structure, since the C50 values covered about three orders of magnitude. The least active compound was methanol (C50 approximately 1 M) and the most active was heptanol (C50 approximately 7.4 x 10(-4) M). The A and B isozymes (differing by the amino acid at position 191) had similar inhibition parameters with the alcohols tested. Quantitative structure-activity relationships were computed with either the experimental solvation parameters of Abraham [6] or the theoretical parameters of Wilson and Famini [11]. Both methods gave similar results, with a slight advantage to the empirical parameters in terms of simplicity and statistical significance. The two main determinants of inhibition were identified as molecular volume and lack of polarity. The effect of volume was non-linear, tending to a maximum when the length of the alcohol increased. For a given number of carbon atoms, the best inhibitor was the least polar compound. These results point to a binding site consisting mainly of nonpolar aliphatic amino acids, and located in the depth of the protein molecule.

Complexation of trivalent cations (Al(III), Cr(III), Fe(III)) with two phosphonic acids in the pH range of fresh waters.

The complex formation constants of two phosphonic acids, HEDP and ATMP, with three trivalent metallic cations, Al(III), Cr(III) and Fe(III), have been determined by acid-base titration at 25 degrees C and constant ionic strength (0.1 mol l(-1), KNO(3)), using Martell and Motekaitis' computer programs. Species distribution curves showed that all three cations are in complex form in the pH range of fresh waters (5-9). The study of different cation/ligand ratios proved that both ligands mainly form anionic soluble complexes for systems having an excess of ligand-as protonated and unprotonated forms and especially ternary complexes with HEDP. For higher metal concentrations (excess of cation), weakly soluble species of HEDP and ATMP were formed with Al(III) and Cr(III). Two insoluble complexes with ATMP have been identified by SEM/EDAX as AlH(3)X((s)) and Cr(2)X((s)). Regarding Fe(III) species, Fe(OH)(3(s)) precipitate seems to predominate in solution.

Divalent cations speciation with three phosphonate ligands in the pH-range of natural waters.

AMP and HEDP complexation constants for seven divalent cations (Ca, Cu, Cd, Fe, Ni, Pb and Zn) have been determined by acid-base titrations at 25 +/- 0.5 degrees C, at constant ionic strength (0.1 M KNO(3)) with Martell and Motekaitis's computer programs. Speciation diagrams enable us to compare AMP, HEDP and TPP complexing properties. AMP complexes more strongly all seven divalent cations than HEDP and TPP, which have similar ligand behavior. Among the divalent cations studied here, the ligands have lowest affinity with calcium and usually higher with copper. In all the cation/ligand systems, the major species are ML and MHL which are charged species. The uncharged ionic species Ca(2)Y(0), CaH(4)X(0) and CdH(2)Y(0) (H(6)X = AMP and H(4)Y = HEDP) which can potentially exist in solid phase, cannot be neglected. Moreover hydroxide complexes have to be taken into consideration in the complexation constant determinations and in the environmental impact.

Cholinesterase inhibition by derivatives of 2-amino-4,6-dimethylpyridine.

Derivatives of 2-amino-4,6-dimethylpyridine, aryl(alkyl)carboxamides, thiocarbamides and amidrazones, already known for their anti-inflammatory properties, were found to be moderately active inhibitors of acetyl and butyrylcholinesterase. Quantitative structure-activity relationships showed that the binding affinity was enhanced by the following structural modifications: (1) increase in molecular volume, (2) decrease in the energy of the lowest unoccupied molecular orbital, (3) insertion of a methylene group between the amide carbonyl and the aromatic ring, (4) replacement of the amide oxygen by sulfur. The affinity remained, however, weaker than that of the specific inhibitor 9-amino-1,2,3,4-tetrahydroacridine (tacrine). The association of anti-inflammatory and cholinesterase inhibiting activities within the same compound may prove useful for the treatment of Alzheimer's disease.

Calcium carbonate solubility: a reappraisal of scale formation and inhibition.

Considerable disparity exists in the published thermodynamic data for selected species in the Ca(2+) /CO(2)/H(2)O system near 25 degrees C and 1 atm pressure. Some authors doubt the significance of CaCO(3)(0)aq) complexes although there is experimental evidence of their occurrence. Evaluation of all the published experimental and estimated data for aqueous calcium carbonate species confirms that the consistent set of constants given by Plummer and Busenberg in 1982 is the best available, and suggests a formation constant log beta = 3.22 for CaCO(3)(0)(aq). This value was confirmed by additional experimental data and calculations using a specially developed computer program. The solubility s and solubility product K(s) are critically evaluated for each solid polymorph (amorphous CaCO(3), ikaite, vaterite, aragonite and calcite) using a hydrated ion pair model and we give coherent explanations for the calcium carbonate precipitation/dissolution process and the existence of supersaturated waters. The practical cases of scale formation and its inhibition by phosphonate-type compounds are discussed and explained with the same model, taking into account the CaCO(3)(0)(aq) species.

Thermodynamic study in aqueous solutions of weakly soluble ionic compounds.

Any investigation for a better knowledge of precipitation/dissolution problems necessitates the availability of all the beta formation constants of the uncharged soluble species (ion-pair). Several difficulties dealing with solubility measurements are briefly reviewed, especially related to phase structure variations, time-lag or supersaturation phenomena. Thanks to some thermodynamic considerations, the evolution of the uncharged soluble species with hydration and solid phase modifications can give a new explanation about the observed dispersion in literature values for some weakly soluble ionic compounds. When not given elsewhere, the evaluation of thermodynamic data of interest (formation constants, solubility product, etc.) is made possible according to given methods.

Acetylcholinesterase inhibition by two phosphoric 4-nitroanilides.

Two phosphoric 4-nitroanilides Z2P(O)NH-phi-NO2 (A, Z = Me; B, Z = NMe2) have been prepared and purified by chromatographic techniques. Their spectral data (uv, ir and 1H-nmr) have been determined, and compared with those of other similar compounds. Their ability to inhibit acetylcholinesterase has been measured by a modification of Ellman's method. The data, as computed according to the Michaelis scheme, indicate that A is not an inhibitor, whereas B is a reversible mixed one. These differences are discussed in terms of hydrophobic interactions.