Copper(II) Schiff Base Complexes with Catalyst Property: Experimental, Theoretical, Thermodynamic and Biological Studies.

Two novel copper(II) Schiff base complexes were synthesized and characterized by various physico-chemical and spectroscopic methods, revealing a distorted square planar geometry around the copper atom. The analytical data confirmed the 1:1 metal to ligand stoichiometry of the complexes. B3LYP/(LANL2DZ/6-311G**) density functional theory (DFT) were used to investigate structural and electronic properties of the synthesized compounds in gas phase. The computational results support the conclusion obtained by the experimental studies. Thermodynamic study of complex formation in solution was carried out spectrophotometrically at 25 °C. These compounds were also subjected to study in vitro antibacterial screening against some bacteria. Also, click reaction was investigated for its catalytic properties. The synthesized Schiff base copper complexes catalyzed 1,3-dipolar Huisgen cycloaddition of different functionalized ?-azido alcohols and alkynes in the presence of ascorbic acid in a solution of THF/H2O (2:1, V/V) at room temperature.

Ultrasonic irradiation to modify the functionalized bionanocomposite in sulfonated polybenzimidazole membrane for fuel cells applications and antibacterial activity.

In this article the new proton exchange membranes were prepared from sulfonated polybenzimidazole (s-PBI) and various amounts of sulfonated titania/cellulose nanohybrids (titania/cellulose-SO3H) via ultrasonic waves. The ultrasonic irradiation effectively changes the rheology and the glass transition temperature and the crystallinity of the composite polymer. Ultrasonic irradiation has a very strong mixing and dispersion effect, much stronger than conventional stirring, which can improve the dispersion of titania/cellulose-SO3H nanoparticles in the polymer matrix. The strong -SO3H/-SO3H interaction between s-PBI chains and titania/cellulose-SO3H hybrids leads to ionic cross-linking in the membrane structure, which increases both the thermal stability and methanol resistance of the membranes. After acid doping with phosphoric acid, s-PBI/titania/cellulose-SO3H nanocomposite membranes exhibit depressions on methanol permeability and enhancements on proton conductivity comparing to the pristine s-PBI membrane. The chemical structure of the functionlized titania was characterized with FTIR, and energy-dispersive X-ray. Imidazole and sulfonated groups on the surface of modified nanoparticles forming linkages with s-PBI chains, improved the compatibility between s-PBI and nanoparticles, and enhanced the mechanical strength of the prepared nanocomposite membranes. From SEM and TEM analysis could explain the homogeneous dispersion of titania/cellulose-SO3H in nanocomposite membranes. Moreover, the membranes exhibited excellent antibacterial activities against S. aureus and E. coli. A.

Construction of proton exchange membranes under ultrasonic irradiation based on novel fluorine functionalizing sulfonated polybenzimidazole/cellulose/silica bionanocomposite.

Novel sulfonated polybenzimidazole (s-PBI)/cellulose/silica bionanocomposite membranes were prepared from fluorine-containing s-PBI copolymer with a cellulose/silica precursor and a bonding agent. The introduction of the bonding agent results in the reinforcing interfacial interaction between s-PBI chains and the cellulose/silica nanoparticles. Commercially available silica nanoparticles were modified with biodegradable nanocellolose through ultrasonic irradiation technique. Transmission electron microscopy (TEM) analyses showed that the cellulose/silica composites were well dispersed in the s-PBI matrix on a nanometer scale. The mechanical properties and the methanol barrier ability of the s-PBI films were improved by the addition of cellulose/silica. The modulus of the s-PBI/10 wt% cellulose/silica nanocomposite membranes had a 45% increase compared to the pure s-PBI films, and the methanol permeability decreased by 62% with respect to the pure s-PBI membranes. The conductivities of the s-PBI/cellulose/silica nanocomposites were slightly lower than the pure s-PBI. The antibacterial activity of (s-PBI)/cellulose/silica was investigated against Gram-positive bacteria, ie, Staphylococcus aureus and methicillin-resistant S. aureus and Gram-negative bacteria, ie, Escherichia coli, E. coli O157:H7 and Pseudomonas aeruginosa by the disc diffusion method using Mueller Hinton agar at different sizes of cellulose/silica. All of the synthesized (s-PBI)/cellulose/silica were found to have high antibacterial activity.

Synthesis and characterization of polyester bionanocomposite membrane with ultrasonic irradiation process for gas permeation and antibacterial activity.

Optically active bionanocomposite membranes composed of polyester (PE) and cellulose/silica bionanocomposite (BNCs) prepared with simple, green and inexpensive ultrasonic irradiation process. It is a novel method to enhance the gas separation performance. The novel optically active diol containing functional trifluoromethyl groups was prepared in four steps reaction and it was fully characterized by different techniques. Commercially available silica nanoparticles were modified with biodegradable nanocellulose through ultrasonic irradiation technique. Transmission electron microscopy (TEM) analyses showed that the cellulose/silica composites were well dispersed in the polymer matrix on a nanometer scale. The mechanical properties nanocomposite films were improved by the addition of cellulose/silica. Thermo gravimetric analysis (TGA) data indicated an increase thermal stability of the PE/BNCs in compared to the pure polymer. The results obtained from gas permeation experiments showed that adding cellulose/silica to the PE membrane structure increased the permeability of the membranes. The increase in the permeability of the gases was as follows: PCH4 (38%)

Experimental and Computational Study of the Thermodynamic Properties of Trivalent Cobalt Schiff Base Complexes with Cyclic Amines.

Some cobalt(III) complexes with a potentially tetradentate unsymmetrical NNOS Schiff base ligand have been synthesized and characterized using IR, 1HNMR, UV-Vis spectroscopy and elemental analysis. The equilibrium constants were measured spectrophotometrically for 1:1 adduct formation of the cobalt(III) complexes with some cyclic amines in acetonitrile as solvent at constant ionic strength (I = 0.1 M NaClO4), and at various temperatures. In addition, the ground state geometries of the complexes were optimized using density functional theory (DFT) at B3LYP/6-311G** level. Binding energy, thermodynamic parameters, structural parameters and electronic structures of complexes are investigated. The theoretical investigations were done for comparing with the experimental results. Our comparison between the computational and experimental results revealed that the cobalt(III) complexation process is spontaneous, exothermic and entropically unfavorable.

Synthesis, Characterization, Spectral Studies, Antibacterial Evaluation, Thermodynamics and DFT Calculations of Dimethyltin(IV) Dichloride Schiff Base.

A number of new 1:1 complexes of SnMe(2)Cl(2) with unsymmetrical tetradentate Schiff base ligand with NNOS coordination sphere have been synthesized and fully characterized by a variety of physico-chemical techniques viz. elemental analysis, molar conductivity, (1)H and (119)Sn NMR, IR and mass spectroscopy. IR spectral data show that the fifth coordination position of tin atom is occupied by an oxygen atom of Schiff base ligands. In the light of titled techniques, trigonal bipyramidal geometry around the tin atom is proposed for the synthesized complexes. The in vitro antibacterial activities of the complexes against Staphylococcus aureus and Escherichia Coli have been studied. It was found that they possess significant antibacterial activity. Also, DFT/B3LYP method was used to analyze the electronic structures and study of the geometries. The thermodynamic formation constants of the complexes were determined spectrophotometrically at 25ºC in DMF solvent.

Coordination chemistry, thermodynamics and DFT calculations of copper(II) NNOS Schiff base complexes.

Synthesis, magnetic and spectroscopy techniques are described for five copper(II) containing tetradentate Schiff bases are synthesized from methyl-2-(N-2'-aminoethane), (1-methyl-2'-aminoethane), (3-aminopropylamino)cyclopentenedithiocarboxylate. Molar conductance and infrared spectral evidences indicate that the complexes are four-coordinate in which the Schiff bases are coordinated as NNOS ligands. Room temperature µeff values for the complexes are 1.71-1.80B.M. corresponding to one unpaired electron respectively. The formation constants and free energies were measured spectrophotometrically, at constant ionic strength 0.1M (NaClO4), at 25˚C in DMF solvent. Also, the DFT calculations were carried out to determine the structural and the geometrical properties of the complexes. The DFT results are further supported by the experimental formation constants of these complexes.