Applied Chemistry

Chemometrics is the application of statistical and mathematical methods, in particular multivariate methods, to handle chemical or process data. In this study, the global and reactivity descriptors with multivariate methods have been utilized as a potential tool for grouping of cyanuric acid. The global and reactivity descriptors of cyanuric acid tautomers were analyzed using Principal component analysis (PCA) and hierarchical cluster analysis (HCA) in different solvents. The tautomers constitute groups are similar in three solvents namely THF, DMF and water, but in ethanol solvent show different groups. In three solvents (THF,DMF and water), five tautomers, CA2, CA4, CA5, CA6 and CA7 constitute one group, but CA4, CA5, CA6 and CA7 unique well distinguished from the rest. The CA8, CA9 and CA1 tautomers constitute second group and CA10, CA11 and CA3 constitute a cluster of three tautomer types. In ethanol solvent , three tautomers, CA5, CA6 and CA7 constitute one group, the CA8, CA9 and CA1 tautomers constitute second group and CA10 and CA11 constitute a third group and CA2,CA3 and CA4 constitute a fourth group. The HCA results are very similar to those obtained with the PCA results.

Nickel (II) complexes and Copper (II) complexes with the two ligands TPA and 2-N-benzyl TPA with nitrate anion are prepared. The isolated solid complexes are subjected to various physical measurements, such as conductivity measurements, and spectral behaviour apart from the chemical analysis.

The elastic properties of mantle minerals are important for the interpretation of the structure and composition of the lower mantle and also in seismic studies. The elastic properties of minerals depend on its composition, crystal structure, temperature and the level of defect. In the present work we have calculated the elastic parameters such as bulk modulus, shear modulus, seismic velocities, and Debye temperatures of some garnets such as Pyrope garnet (Mg3Al2Si3O12) and Grossular garnet (Ca3Al2Si3O12) at different temperature ranges by using Hill's averaging method and other methods of thermodynamics.

Ab initio and Density functional theory with three basis sets have been used to study seventeen isomers comprising of six thioaldehydes and eleven thioketones, relative stabilities of the isomers and electronic properties of the molecules are reported. The results revealed that there is an increase in C=S bond length as the number of carbon atoms increases, although C=S bond lengths for thioaldehydes are shorter than that of the corresponding thioketones analogues. Generally, thioketone isomers are more thermodynamically stable than that of the corresponding thioaldehydes. The rearrangement of thioaldehydes to thioketones would be feasible and exothermic since both ?G? and ?H? have negative values. 13C NMR of thiocarbonyl carbon atoms and UV-visible absorption (?max) showed similar trend when plotted against C=S bond length, thus the electronic properties and chemical reactivities of the molecules would be predominantly governed by C=S group.

Terminalia spinosa species have very high durability and could survive for long while in use, even in areas prone to attack by termites or fungi. Extractives have been found to have different inhibition rates against fungi. Wood extractives play an important role in the natural durability. The objective of this study was to investigate the durability of Terminalia spinosa when exposed to wood decay fungi. Three brown-rot and three white-rot wood decay fungi were screened for their capacity to degrade T. spinosa .Samples were evaluated for decay by weight loss measurements using a modified E7-93 standard (AWPA) for block test method, growth inhibition by solvent extract of T. spinosa was also tested. Brown rot fungi P. placenta and C. puteana caused the highest weight losses of 16% and 15% on heartwood extracted with dichloromethane and acetone, respectively. P. sanguines a member of white rot fungi was the most aggressive in reducing weight by 24% on toluene/ethanol extracted heartwood. The later was comparable to weight loss of P. patula wood which was used as a positive control. All the test fungi species caused negligible weight loss of less than 2% on un-extracted heartwood of T. spinosa implying that extractives in the heartwood played an important role in preventing fungal infestation and hence damage. Efficacy of extracts increased with increase in concentration.

A novel and selective method for the fast determination of trace amounts of Co(II) ions in water samples has been developed. The procedure is based on the selective formation of Co(II) ions using mesoporous organo-silicas mesoporous silica at different pH followed by elution with organic eluents and determination by atomic absorption spectrometry The preconcentration factor was 100 (1 ml elution volume) for a 100 ml sample volume. The limit of detection of the proposed method is 1.0 ng ml?1. The maximum sorption capacity of sorbent under optimum conditions has been found to be 5mg of Co per gram of sorbent. The relative standard deviation under optimum conditions was 3.0% (n = 10). Accuracy and application of the method was estimated by using test samples of natural and synthetic water spiked with different amounts of Co(II) ion.

An experimental investigation of applying a magnetic field and a radiation source horizontally with the direction of alloy once and vertically in another, current range passing through alloy is (1-3) AMP. Alloy conductivity increase with magnetic field strength in the case of applying a magnetic field horizontally with the electrons movement direction once and vertically in another. Alloy electrical conductivity decreases with irradiation time when applying a magnetic field horizontally with the electrons movement direction once and vertically in another. Alloy conducutivity decreases with irradiation time by applying a magnetic field and a radiation source horizontally with the direction of alloy once and vertically in another. Magnetic field intensity increases with temperature when applying a magnetic field and a radiation source horizontally with the electrons direction in the alloy once and vertically in another.

The photocatalytic activity was studied under UV light using AC-Cd/TiO2 prepared via precipitation method and characterized by powder X-ray diffraction (XRD) , high resolution scanning electron micrographs (HR-SEM) with energy dispersive X-ray analysis (EDX), photoluminescence (PL) and Fourier transform Raman analysis (FT-RAMAN). The enhanced photo catalytic activity of the AC-Cd/TiO2 is demonstrated through photodegradation of methylene blue under UV light radiation at 365 nm. The mechanism of photocatalytic effect of AC-Cd/TiO2 Nano composite material has been discussed Further its antibacterial activity against two gram positive and two gram negative bacterial strain is studied.

The main objective of the research presented herein was to developed poly(dodecyl phenol formaldehyde)-b-poly(oxypropylene) block copolymer for asphaltene precipitation problem and performance of some asphaltene inhibitors\dispersant for a heavy crude oil provided by the Hossia crude oil (Ras Gharib – Egyptian Eastern desert). The dispersants/inhibitors was synthesized in tow steps; 1) synthesis of poly(dodecyl phenol formaldehyde) resin (PDPF) at three different molecular weights (1936, 4047 and 8092) namely PDPF1, PDPF2 and PDPF3 respectively; 2) propoxylation of the prepared compounds to produce PDPF1-b-POP, PDPF2-b-POP and PDPF3-b-POP has molecular weight (3096, 5179 and 9202) respectively. All of the synthesized compounds were evaluated as asphaltene inhibitors/dispersants at 100, 500 and 1000 ppm using UV spectrophotometer. The molecular weights were determined by GPC. The chemical structure of the prepared compounds was confirmed by IR and H1NMR. The crude oil was analyzed by GC. The results also revealed distinct inhibition of asphaltene precipitation in crude oils.

The temperature dependent study was investigated by using a UV-Visible spectrophotometer. Activation parameters such as energy of activation Ea, free energy of activation , entropy of activation and enthalpy of activation were obtained from Eryring’s equation. The effect of substrates on the activation energy were in the order: benzoate ion > H+ > urea > OH- for Tris-(3,4,7,8-tetramethyl-1,10-phenanthroline)Iron(II) Sulphate, Fe(Me4phen)32+ and benzoate ion > H+ > OH- > urea for Tris-(4,7-dimethyl-1,10-phenanthroline)Iron(II) Perchlorate, Fe(Me2phen)32+. Higher values of was observed in Fe(Me4phen)32+ in all substrates. The rate constants of dissociation were obtained from earlier published results of rate constants of binding and binding constants. Dissociation constants generally decreased with increase in the concentration of the surfactant, SDS. Higher rate constant of dissociation was observed in SDS- Fe(Me4phen)32+ than SDS- Fe(Me2phen)32+ in all the substrates.