Applied Chemistry

To understand the structural and electrical characteristics of Au and thiol substituted tetracene, a quantum chemical calculation has been carried out with Density Functional Theory (DFT) coupled with the Bader’s AIM theory. The various levels of applied electric field (0 – 0.21 VÅ-1) altered the geometrical conformation as well as the electronic energy levels of the molecule. Variations in MPA and NPA atomic charges of the molecule for the applied fields have been compared. The field polarizes the molecule and hence the dipole moment of the molecule increases from 0.0002 to 14.65 D. For the zero bias, the HOMO–LUMO gap is1.752 eV, as the field increases this gap decreases to 1.03 eV, which reveals that it exhibits charge transfer ability for the applied field.

Recently, the synthesis of 2-hydroxybenzoinhydrazone, 2-hydroxybenzoinphenylhydrazone and 2-hydroxybenzoinsemicarbazone with hydrazine hydrate, phenyl hydrazine and semicarbazide hydrochloride in presence of aqueous sodium hydroxide in DMF-water (80%) medium respectively. Similarly, furoinhydrazone, furoinphenylhydrazone, furoinsemicarbazone were synthesized by the interactions of furoinbenzoin with hydrazine hydrate, phenyl hydrazine and semicarbazide hydrochloride in presence of aqueous sodium hydroxide in DMF-water (80%) medium respectively. The synthesis of 2-hydroxybenzoin and furoinbenzoin were carried out by the known literature method. The structure of all the synthesized compounds were justified on the basis of chemical characteristics, elemental and I.R. and NMR spectral analysis.Benzoin hydrazone and its metal complexes were synthesized from substituted benzoinhydrazone. They were characterized by elemental analysis and spectral analysis. The synthesized complexes were screened for antimicrobial activity. At a concentration of 1000µgm/ml. Which was serially diluted to determine their MIC value .

Methyl-2-dihydroxyphenylsulfide was synthesized with the aim of characterizing antioxidant action. Its ability to break off oxidation chain in the reaction with peroxide radicals, as well as parameter of f•k which characterizes inhibiting activity of inhibitor, were studied.

The novel ligand complexes of Cu(II),Fe(II),Co(II) and Bi(V) with biological active streptomycin and oxime were prepared and characterized by spectral techniques. The cell parameters was determined by X-ray powder pattern and the molecular models represents a better understanding of the arrangement of the atoms in the molecules in three dimensions.

A rapid, sensitive reversed phase stability-indicating high-performance liquid chromatographic (HPLC) assay method was developed and validated for quantitative determination of carmustine in bulk drugs and the degradation products generated from forced degradation. A gradient, reversed phase HPLC method was developed to separate the drug from the degradation products, using an YMC ODS-A C18 (250mm x 4.6) mm,5u column and the Mobile phase-A 0.01 M Potassium dihydrogen phosphate in water, adjust PH 3.2 with orthophosphuric acid and mobile phase-B methanol was used as mobile phase. The detection was carried out at wavelength 230 nm and 205 nm. The chromatographic resolution between its degraded products was found to be greater than two. The carmustine was subjected to stress conditions of acid, base, oxidation (30 % H2O2), thermal degradation and photolytic degradation. The degradation was observed for carmustine in alkali, acid and in thermal hydrolysis. The mass balance was close to 100 in all the stress conditions. The degraded products were well resolved from main peak. The developed method was validated with respect to linearity, accuracy, recovery, precision, system suitability, selectivity, robustness and forced degradation studies prove the stability indicating ability of the method.

The nutritional compositions of Hunteria umbellata were examined in this study. Proximate, mineral and inorganic elements of dehulled Hunteria umbellata seed (DHUS) and whole Hunteria umbellata seed (WHUS) were analyzed. The proximate composition (%) of the DHUS and WHUS seed are as follows; crude protein (13.65) and (9.0), crude fibre (26.79) and (2.74), crude fat (2.87) and (14.97), ash (3.89) and (3.45), moisture (9.57) and (10.95) and carbohydrate (43.23) and (58.88). Hunteria umbellata are good source of macro and micro nutrient (mg/100g) with Potassium (1130) and 1150, Magnesium(180) and (189), Calcium (76) and (78), Sodium (87.5) and (90), Iron (60) and (63), Manganese (5) and (7) also present in appreciable quantities. The result of inorganic element (mg/100g) also revealed in Hunteria umbellata; Nitrogen (7.14) and (2.11), Carbon (52.1) and (68.4), Hydrogen (4.22) and (6.11), Sulphur (2.33) and (2.26) and Oxygen (34.3) and (21.1) respectively. Nitrogen content was determined by micro-Kjeldahl method. Total carbohydrate was calculated by the difference method while mineral analysis was carried out after acid digestion using spectrophotometer and flame photometry. The high value obtained for potassium, carbohydrate, and carbon reveal that Hunteria umbellata seed has potential of serving as supplement for food, source of synthetic and antimicrobial drugs, and traditional herbal medicine. 

The efficiencies of activated carbons prepared from oil cake of Sesamum Indicum by thermal and sulphuric acid activation wereinvestigated for the removal of Cd(II) ions from aqueous solutions. Various parameters as a function of contact time, initialpH, initial adsorbent dosage and metal ion concentrations were studied. The optimum time required for the maximum removal of Cd(II) was found to be 1 hr for TAGOC and 2 hrs for STGOC. The equilibrium adsorption data were fitted to Langmuir and Freundlich adsorption isotherm models. The equilibrium adsorption isotherms showed that activated carbon has high affinity and sorption capacity for Cd(II) with monolayer sorption capacities of 44.92 mg/g for TAGOC and 35.97 mg/g for STGOC. The kinetic study indicated that the pseudo-second order rate equation better described the adsorption process. The adsorbent efficiency was also tested for the removal of Cd(II), Cu(II), Ni(II) and Zn(II) from synthetic electroplating wastewater. The results indicated that the prepared both activated carbons are efficient (99.9%), alternative low-cost adsorbent for the removal of Cd(II) and other metal ions from waste water.

ZnO nanorods were successfully fabricated by using the chemical precipitated method. We report the synthesis and characterization of several sizes of ZnO nanocrystals, both in the free standing and the capped particle forms. The sizes of these nanocrystals could be controlled by capping them with polyvinylpyrollidone and were estimated by X-ray diffraction and transmission electron microscopy. The chemical compositions of the products were characterized by FT-IR spectroscopy. UV -Vis absorption spectroscopy measurements reveal that the capping of ZnO leads to blue shift due to quantum confinement effect.PL emission spectrum of PVP encapsulated ZnO shows red shift due to defect oriented emission. The morphology of the particles was evaluated by scanning electron microscopy (SEM) and Transmission electron microscopy (TEM). Both the thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) curves of the ZnO show that no further weight loss and thermal effect were observed at a temperature of above 510?C.

Two novel azo phenols mesogenic group namely 2-sec-butyl-4-(p-tolyldiazenyl)phenyl 4-(dodecyloxy) benzoate I12a,and 4-((4-bromophenyl)diazenyl)-2-sec-butylphenyl 4-(dodecyloxy) benzoate I12b were synthesized .The prepared compound were characterized using FT-IR, 1H-NMR, Mass Spectroscopy and Elemental Analysis. Their mesophase was investigated by Differential Scanning Calorimetry (DSC). Their antioxidant efficiency for Egyptian lubricating base oil was tested via monitoring the oxidation reaction through the change in total acid number (TAN) and viscosity. The obtained results showed that, the efficiency of these compounds was ranked as follows I12a > I12b.

The crystal structure of the new inorganic-organic hybrid compound [4-OCH3C6H4CH2NH3]2[CdCl4] has been determined by single crystal X-ray diffraction The compound crystallizes in the triclinic space group P with lattice parameters a = 19.007(2), b = 7.3410(8), c = 7.4451(8) Å, , ? =97.222(1)°, V = 1030.59(19) Å3, and Z = 2. The framework of the title compound is built upon layers parallel to (100) made up from corner-sharing [CdCl6] octahedra. 4-methoxybenzylammonium cations are situated between the layers and connect them via an N-H…Cl hydrogen-bonding network. The Cd atom is located on an inversion centre and the coordination environment is described as distorted octahedra. Solid state 13C CP-MAS NMR spectroscopy is in agreement with the X – ray structure. DFT calculations allow the attribution of the carbon peaks to the independent crystallographic sites. Thermal analysis and Infrared spectroscopy were also used to characterize the complex.