Applied Chemistry

In the present study, we report a theoretical study on molecular structure, electronic and thermodynamical properties of 2-amino-1,3-benzothiazole tautomers by using density functional theory (DFT) methods employing B3LYP exchange correlation with different basis;6-311,6-311++, and 6-311++G(d,p) basis set. The Synchronous Transit-Guided Quasi-Newton (STQN) method was used to locate the transition structures. The reactants and products were fully optimized at the DFT level of theory using 6-311++G (d,P) basis set in gas phase and the equilibrium constant and rate of reaction were calculated. Global descriptors such as ionization energy (I), electron affinity (EA), molecular hardness (?), chemical potential (?), electrophilicity (?), and frontier molecular energy gaps (?Eg) were determined and used to identify the differences in the reactivity of reactant and product. The bond lengths of transition state were lie between the reactant and product. From the values of ?, ? and ? suggested that product is more energetically stable and less reactive, that reactant is more electronegative than the product and reactant is a good electrophile and product is a good nucleophile.

The antibacterial properties of picolinic acid was tested against selected test organisms which includes serratia marcescens, micrococcus luteus, proteus vulgaris, proteus mirabilis, bacillus cereus, bacillus subtilis, klebsiella pneumoniae, escherichia coli, shigella flexneri, lactococcus lactis, enterobacter cloacae, staphylococcus aureus. The results obtained established that picolinic acid has antibacterial activities against S. marcescens, K. pneumoniae, E. coli, S. flexneri, B .cereus, P. vulgaris, M . luteus with minimum inhibitory concentration of 0.5mg/mL. It also had great antibacterial activity against P. mirabilis at minimum inhibitory concentration of 1.5mg/L. Picolinic acid evoked a strong antibacterial activities against B. subtilis, S.aureus and L. lactis at minimum inhibitory concentration of 2.0mg/mL and against E . cloacace at minimum inhibitory concentration of 1.0mg/mL. The diameter of zones of inhibition ranges between 7.0mm and 14.0mm.

The study was carried out to find the status of Sombo spring water of Jimma town in respect to physico-chemical water quality parameters during 2015 and 2016 following standard methods of sampling and testing. For this study, samples were collected from two sample sites. The physico-chemical Parameters included turbidity, pH, EC, temperature, total dissolved solid, dissolved oxygen, Chloride, total alkalinity, Calcium and Magnesium were analyzed. The observed values of various physico-chemical parameters of the spring water samples were compared with standard values and the result showed that seven out of ten tested parameters were within the permissible limits. Turbidity of the Sombo water was above the permissible limit while pH and dissolved oxygen values were below permissible limit range recommended by WHO for drinking water. Thus, the sombo spring water could affect human health, since the nearby community using it for drinking purpose. Therefore, it is recommended to have a frequent monitoring of the physico-chemical parameters and need the attention of the concerned body to treat the water or find other alternative safe drinking water source.

Synthetic dyes are essential raw materials in numerous industrial processes, which include textile, food, cosmetic, and pharmaceutical industries. However, they constitute environmental pollutants when discharged as wastewater effluents without adequate treatment. This work is focused on the treatment of a dye, Eosin Red, through the photocatalytic degradation process using anatase nano titanium dioxide. The light source for this experiment is an 8 W monochromatic UV bulb, which provides wavelength of sufficient energy to overcome the anatase titanium dioxide band energy of 3.2 eV. Dye concentration reduction was determined using a UV/Vis Spectrophotometer, with 519 nm as the wavelength of maximum absorbance of Eosin Red dye. The result obtained showed a significant degree of ER photodegration and highlighted the dependence of the photodegradation process on some influencing parameters like initial concentration of dye, catalytic loading, contact time, and pH. The kinetic study in this research indicates that the photodegradation of Eosin red dye strongly follows pseudo-first-order kinetics, as is evident in the R2 and k’ values of 0.998 and 0.0115 min-1 respectively of 10ppm Eosin red 

In this present work, we have studied the hydraulic conductivity of soils in Na, Mg, Ca and their Different types of soil Mixture under different condition with distilled water. Different types of soil samples have been collected from the specific area of the Gujarat state like Ahmedabad, Surat and Ghandhidham. In this work, mixed soil samples were prepared and Study of hydraulic conductivity has been measured with distilled water.

Biodiesel production encountered many problems such as low energy balance and food verses energy problems. To solve these problems in-situ transesterification of Jatropha curcas seed oil was carried out, with 1:1 (v/v) of n-hexane – methanol co-solvent and calcium oxide derived from egg-shell as catalyst at 65? temperature for 2 hours. The soxhlet extraction apparatus was used and the effect of catalyst doses was studied, it was found that all the catalyst used in this research produced fatty acid methyl esters (biodiesel) with acceptable fuel properties with the exception of acid value which is higher than the ASTM biodiesel standard limit. GC/MS results revealed that Jatropha curcas oil biodiesel consists of 9-Octadecenoic acid (Z) - methyl ester, Octadecanoic acid, methyl ester, 9,12-Octadecadienoic acid,13-methyl, methyl ester, 8-Octadecenoic acid, methyl ester (E) and Hexadecanoic acid, methyl ester which indicated that this method is an alternative way of biodiesel production with lower energy input as compared to conventional method.

The proximate, minerals and fatty acids composition of sugar ant (Coponotus consubrinus) was conducted. The results showed that it contained high amounts of protein 31.86±0.24%) with moisture, ash, crude fibre, crude fat, carbohydrate levels and energy level being 2.95±0.09%, 4.24±0.11%, 6.49±0.87%, 13.29±0.39%, 41.16±1.55% and 1733.07±0.21KJ/ 100g respectively. The insect was found to be a good source of minerals which contained high proportions of Na, K, P, Ca, Zn and Fe as 121.45±0.45, 83.40±0.45, 107.87±1.50, 18.60±0.58, 15.53±1.03, 15.13±2.64 and 98.27±2.08mg/100g respectively. The results of fatty acids compositions revealed that sugar ant contain 1.08% TUFA/TSFA ratio which indicated that, this insect have lowest desirable level of cholesterol with reduced coronary heart problem. The results of this finding revealed that, this insect could serve as an alternative source of protein, crude fat, carbohydrate and essential minerals needed for a well balanced nutritional diet for humans and as a feed supplement.

The tridentate Schiff base, 3-{[(6-methoxypyridin-3-yl)imino]methyl}naphthalen-2-ol, formed by condensation of 5-amino-2-methoxypyridine and 2-hydroxy-1-napthaldehyde coordinates to some Metal(II) ions, forming complexes of the type [M(L2)]½H2O {where M = Mn, Co, Ni, Cu, Zn, Pd}. These complexes are characterized by percentage metal, melting point, conductance measurements, electronic and IR spectroscopies. The IR data confirms that coordination is via the imine nitrogen and napthanenol oxygen atoms; while electronic data support a 4-coordinate tetrahedral/squareplanar geometry for the metal complexes. The complexes are air-stable solids which melt/decompose on heating in the temperature range 196-232oC; and none is an electrolyte in nitromethane. The in-vitro antibacterial activities of the complexes against Staphylococcus aureus, Bacillus cereus, Escherichia coli, Pseudomonas aeruginosa and Klebsiella oxytoca are reported. Notably, the Pd(II) complex exhibits broad-spectrum antibacterial activity against these bacteria with the exception of Pseudomonas aeruginosa with inhibitory zones range in the range 8.0-12.0 mm.

A total of 14 different Petroleum samples comprising of 4 crude oil blends, 7 refined products and 3 wastes from the Tema oil refinery were analyzed for 27 elements using Instrumental Neutron Activation Analysis (INAA). Based on the results obtained and analytical procedure used in this work, pattern of occurrence of the metal contaminants in the petroleum products and waste suggest they are native to the crude oil and its origin as no external contamination was established. It was observed from the study and previous ones that the Brass and Bonny crude oil from Nigeria have low metal contents. However, despite the low concentrations, trace amounts of these metals could be deleterious in the refinery as they can cause corrosion, catalytic poisoning, and affect the quality of refined products. They could also contribute to environmental pollution as results of combustion of fuel products and hence should be reduced or removed.

2, 2-dihydroxy biphenyl-thiourea-formaldehyde (2, 2-DHBTF) terpolymer resin was synthesized by an eco-friendly technique in dimethyl formamide medium. The resin was characterized by elemental analysis, UV-Visible, FTIR, 1H NMR, 13C-NMR and viscometric measurement. The surface morphology of the terpolymer resin was established by scanning Electron Microscopy. The number average molecular weight was determined by non-aqueous conductometric titration. One of the important applications of these types of polymer is their capability to act as chelating ion-exchanger. The chelation ion-exchange properties of the terpolymer showed a powerful adsorption towards specific metal ions like Fe3+, Cu2+, Ni2+, Co2+ and Zn2+ . A batch equilibrium method was adopted to study the selectivity of the metal ion uptake involving the measurement of the distribution of the given metal ion between the polymer sample and a solution containing the metal ion over a wide range of concentrations and pH of different electrolytes.