Boost piezocatalytic activity of BaSO by coupling it with BaTiO, Cu:BaTiO, Fe:BaTiO, S:BaTiO and modify them by sucrose for water purification.

The purpose of this study is to improve the efficiency of decontamination using BaSO as a piezocatalyst. Three techniques are employed in this study to enhance the piezocatalytic activity of BaSO. The first method involves coupling BaSO with BaTiO.

Influence of formulation of ZnO nanoblokes containing metallic ions dopants on their cytotoxicity and protective factors: An in vitro study on human skin cells exposed to UVA radiation.

Application of ZnO nanoparticles in sunscreens exposes human skin with their adverse effects, which correlates to dissolution/translocation of free Zn ions. The possibility of decreasing solubility and therefore, reducing toxicity, by structural modifications have been discussed as a solution. The present investigation has developed new metallic lattices of ZnO to reduce cytotoxicity of ZnO nanoparticles.

Ag-promoted zinc oxide [Zn(O):Ag]: A novel structure for safe protection of human skin against UVA radiation.

Different sunscreens are employed to prevent photo damage (cancer, inflammation, etc.), including ZnO. ZnO is safe when applied as micro-size particle.

Perrhenate-Catalyzed Deoxydehydration of a Vicinal Diol: A Comparative Density Functional Theory Study.

Oxo-rhenium compounds, such as perrhenate salts, have demonstrated preferable activity in catalyzing the deoxydehydration (DODH) reaction in the presence of reductants. Here, the first computational details of the reported DODH mechanisms are presented using the density functional theory (DFT) (M06/6-311+G(d,p)/LANL2DZ) to investigate the conversion of a vicinal diol into the corresponding alkene by ReO as a catalyst. The DFT studies were carried out to evaluate the DODH mechanisms, from the energy point of view, for the conversion of phenyl-1,2-ethanediol to styrene by perrhenate anion in the presence of PPh as a reductant through a detailed comparison of two potential pathways including pathway A and pathway B.

Supported heteropoly acids offering strong option for efficient and cleaner processing for the synthesis of imidazole derivatives under solvent-free condition.

A series of 12-phosphotungstic acid (PWA) supported on various porous carriers, such as silica, alumina, titania, clay, and carbon were prepared, and their catalytic performance evaluated in the synthesis of imidazoles in solvent-free condition. It was found that PWA supported on silica (PWA/SiO(2)) showed higher activity compared to other catalysts. The observed behavior has more or less correlated with the acidic characteristic found through the potentiometrically titrated acidic sites and proton availability.

31P NMR study of the stoichiometry, stability and thermodynamics of complex formation between palladium(II) acetate and bis(diphenylphosphino)ferrocene.

The complexation reaction between palladium (II) acetate, and 1,1'-bis(diphenylphosphino)ferrocene, DPPF, was investigated in two different deuterated solvents CDCl(3) and DMSO at various temperatures using (31)P NMR spectroscopy. The exchange between free and complexed DPPF is slow on the NMR time scale and consequently, two (31)P NMR signals were observed. At metal ion-to-ligand mole ratio larger than 1, only one (31)P NMR signal was observed, indicating the formation of a 1:1 Pd(2+)-DPPF complex in solution.

Spectrophotometric and conductometric study of complexation of salophen and some transition metal ions in nonaqueous polar solvents.

The complexation reaction between Cu2+, Co2+ and Ni2+ metal cations with N,N'-bis(salicylidene)-1,2-phenylenediamine (salophen), in three nonaqueous polar solvents such as: acetonitrile (AN), dimethyl sulfoxide (DMSO), methanol (MeOH) and two binary mixtures of AN:DMSO and AN:MeOH at 25 degrees C were studied by spectrophotometric and conductometric methods. All investigated metal ions form 1:1 ML complex which their stability constants were determined and increase as Irving-Williams stability order of Co2+ < Ni2+ < Cu2+ in all solvent systems except in the pure MeOH and binary mixture of AN:MeOH 20:80; in which, Ni2+ < Co2+ < Cu2+ was observed. The values of the thermodynamic parameters (DeltaH degrees , DeltaS degrees and DeltaG degrees ) for complexation reactions obtained from the temperature dependence of the stability constants and the results show that for all metal ion complexes, the value of DeltaH degrees , DeltaS degrees and DeltaG degrees are solvent dependent.