Molecular Simulation of the Interaction of Diclofenac with Halogen (F, Cl, Br)- Encapsulated Ga12As12 Nanoclusters

Diclofenac is one of the most frequently consumed over-the-counter anti-inflammatory agents globally, and several reports have confirmed its global ubiquity in several environmental compartments. Therefore, the need to develop more efficient monitoring/sensing devices with high detection limits is still needed. Herein, quantum mechanical simulations using density functional theory (DFT) computations have been utilized to evaluate the nanosensing efficacy and probe the applicability of Ga12As12 nanostructure and its engineered derivatives (halogen encapsulation F, Br, Cl) as efficient adsorbent/sensor materials for diclofenac. Based on the DFT computations, it was observed that diclofenac preferred to interact with the adsorbent material by assuming a flat orientation on the surface while interacting via its hydrogen atoms with the As atoms at the corner of the GaAs cage forming a polar covalent As–H bond. The adsorption energies were observed to be in the range of −17.26 to −24.79 kcal/mol and therefore suggested favorable adsorption with the surface. Nonetheless, considerable deformation was observed for the Br-encapsulated derivative, and therefore, its adsorption energy was observed to be positive. Additionally, encapsulation of the GaAs nanoclusters with halogens (F and Cl) enhanced the sensing attributes by causing a decrease in the energy gap of the nanocluster. And therefore, this suggests the feasibility of the studied materials as potentiometric sensor materials. These findings could offer some implications for the potential application of GaAs and their halogen-encapsulated derivatives for electronic technological applications

Chemical profile of the endocarp and exocarp of yellow monkey cola (Cola lepidota)

The chemical profile of the Endocarp and Exocarp of yellow monkey cola (Cola lepidota) were investigated using chemical analysis. The results of proximate analysis showed that the endocarp has the following compositions: moisture (20.00+0.10%W/W), ash (4.00+0.11%DM), crude fibre (36.00+0.12%DM), crude fat (16.00+0.11%DM), crude protein (22.84+0.12%DM), available carbohydrate (21.16+0.12%DM) and the energy value (320.00+0.01kcal/100g) while the exocarp contained moisture (22.00+0.12%W/W), ash (8.00+0.11%DM), crude fibre (7.00+0.11%DM), crude fat (12.50+0.10%DM), crude protein (1.58+0.11%DM) available carbohydrate (70.92+0.11%DM) and the energy value (402.42+0.10 kcal/100g). The endocarp mineral elements analysis revealed that sodium (0.033+0.21 mg/100g), lead (0.004+0.12mg/100g) cadmium (0.002 +0.11mg/100) calcium (78.35+0.12 mg/100g), zinc (55.32+0.12mg/100), phosphorus (0.068+0.12mg/100g), iron (47.45+0.11 mg/100g) and manganese (0.09+0.31 mg/100g) while the exocarp mineral elements analysis revealed that sodium (0.011+0.11 mg/100g), magnesium (0.02+0.11 mg/100g), lead (0.02+0.12mg/100g), cadmium (0.03+00.12mg/100g), zinc (12.16+0.12mg/100g), potassium (17.21+0.12mg/100g), calcium (22.55+0.11mg/100g), iron (11.21+0.32mg/100g) and manganese (0.003+0.12mg/100g). The mineral element concentrations of cobalt, nickel and mercury were not detected in both endocarp and exocarp of cola lepidota. The toxicants composition analysis of endocarp revealed that hydro-cyanide, soluble oxalate and phytic acids contents were 0.54+0.01, 8.65+0.12 and 5.50+0.12 mg/100gDM respectively, while the exocarp revealed 0.09+0.12, 0.01+0.11 and 4.00+0.11 mg/100gDM respectively. The results of phytochemical screening of water extract (WE) of both endocarp and exocarp of cola lepidota shows the presence of polyphenols, reducing sugars, cardiac glycosides and saponins and the absence of phlobatannins, tannins, anthranoids and anthraquinones. The petroleum ether extract (PEE) revealed the presence of cardiac glycosides, saponins, flavonoids, polyphenols, and reducing sugars and also the absence of alkaloids, tannins, phlobatanins, anthranoids and authraquinones.KEYWORDS: Cola lepidota, Proximate Composition, Minerals, Nutritional and Anti-nutritional</jats:p

Enhancement of aromatic and saturated hydrocarbon by modified column chromatographic technique

Three sediment samples collected from the Qua Iboe River System and eighteen different column packing ratios of silica gel and alumina were used in this investigation. The variation of the composition of the stationary phase (silica gel and alumina, SA) gave different yields of aromatic and saturated hydrocarbons. In all the sediments, the SA(1:2) column length ratio eluted the highest amount of saturated hydrocarbon; sediment I, 287ppm; sediment II, 347ppm; sediment III, 337ppm. The modified SA(2:1) column length ratio eluted the highest amount of aromatic hydrocarbons, 119ppm for sediment I; 90ppm for sediment II and 123ppm for sediment III. The modified AS2:1 weight ratio eluted the least amount of saturated hydrocarbon, sediment I,19ppm; sediment II, 30ppm and sediment III, 20ppm while the SA1:1 weight ratio eluted the least amount of aromatic hydrocarbon, sediment I, 8ppm; sediment II, 3ppm and sediment III,12ppm. Generally, the packing by column length ratios eluted higher concentrations of saturated and aromatic hydrocarbons than the packing by weight ratio and the difference is statistically significant. These differences in the yields of the aromatic and saturated hydrocarbons are due to differences in the relative adsorption of the aromatic and saturated hydrocarbons on the stationary phase and the moderating influence of the components of the stationary phase on each other.Keywords: hydrocarbon, enhancement, column length ratio, weight ratio, adsorptionGlobal Journal of Pure and Applied Sciences Vol. 12(2) 2006: 193-19

Enhancement of hydrocarbon recovery by modified solvent extraction

No Abstract. Global Journal of Pure and Applied Sciences Vol. 12(3) 2006: 347-35