Journal of Applied Chemical Research
Volume:8 Issue: 1, Winter 2014

In this study a giant reagent such as Ce (SO4)2 was used for removing different initial dye concentration (10-1000 mg/l) of reactive red 31 (R.R31) less than two minutes in a laboratory scale whereas the percent of dye removal efficiency was %99.9. The Langmuir, Freundlich and Tempkin adsorption models were applied to describe the equilibrium isotherms. The Langmuir model agreed very well with experimental data (R2> 0.99). The kinetics of adsorption was evaluated by the pseudo first-order, second-order and intra particle models. The data agreed well with the pseudo first-order kinetic model. These results demonstrated that Ce (SO4)2 is an efficient reagent for removal of R.R 31 from aqueous solutions.

We have theoretically investigated the effect of doping in oligothiophenes (Tn, n=2-8) with the DFT method at UB3LYP level with 6-31G(d) basis set. Our attention focused on the study of the geometrical and electronic properties in the neutral and doped states. We show that the doping process modify both bond lengths and torsion angles and also electronic properties by enhancing the planarity and decreasing the band Gap.

An array of aromatic aldehydes with electron withdrawing groupunderwent crossed-Aldol condensation with cycloalkanone in the presence of catalytic amounts of DBSA under aqueous media to afford the corresponding α, ά-bis(substituted-benzylidene) cycloalkanones in good yields. The electronic effects on aromatic aldehydes could be observed. The present method is operationally simple and use of water as the reaction medium makes the process environmentally benign.

In the present work, a series of new N’-[{5-(4-aryl) 1,3-thiazol-2yl}carbohydrazide methyl]- 3(4-arylimino) indol-2-one analogs (5a-g) had heen synthesized from 3-(4-arylimino)-2 oxo 1-indole-acetylthiosemicarbazide (4a-g) in ethanol, in the presence of phenacyl bromide or substituted phenacyl bromides. The compound 5e was characterized by its elemental analysis, IR, 1HNMR and Mass Spectroscopy. The synthesized compounds (5a-g) were evaluated for in vitro antibacterial activity and antifungal activity against various strains of bacteria and fungi.

Phosphonate derivatives were prepared using multicomponent reactions of dialkyl acetylenedicarboxylate with 4-hydroxycumarine in the presence of trimethyl or triphenyl phosphite in good yields.

Chemical grafting of Polyaniline (PAni) and chitosan (CS) as has been carried out with formaldehyde as grafting agent and ammonium persulfate as an initiator. For this reason aniline monomers were copolymerized with chitosan and were chemically polymerized. The synthesized copolymer was Characterized using Fourier transform infrared spectroscopy (FTIR), UV-Visible, scanning electron microscopy (SEM) and differential scanning calorimetery (DSC) techniques.

The complexes between C20 and C2X4, C2X2 (X = H, F, Cl, Br) have been studied theoretically at the B3LYP/6-311G (d,p) level. The calculations include the optimized geometries, the interaction energies, aromaticity and thermodynamic. The interaction energies ranging from -60 to -101 kcal/mol and being ordered as: X = F> Cl > Br. Natural bond orbital (NBO) analysis has been performed on all geometries. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) results, and indicate that, in all the molecules HOMO-1 → LUMO transition has the major contribution in the most intensity electronic transition.

Epilepsy is a major neurological disorder in the world and most epileptics are currently controlled by a variety of drugs. 5, 5-diphenylimidazolidine-2,4-dione (Phenytoin, I) is a widely used antiepileptic drug. It has been synthesized previously by different methods in some solvents. In this work, I was synthesized from the condensation of benzil and urea in ethanol and water by application of phase transfer catalyst and without it. Results indicated that higher yield was obtained when the catalyst used.