http://localhost:8080/xmlui/handle/123456789/20 Sun, 05 Apr 2026 19:36:06 GMT 2026-04-05T19:36:06Z http://localhost:8080/xmlui/handle/123456789/2721 Corrosion Inhibition Potential of Thiosemicarbazide Derivatives on ALuminium: Insight from Molecular Modelling and QSARs Approaches OJO, Francis The potentials of six thiosemicarbazide derivatives towards corrosion inhibition were investigated theoretically using density functional theory (DFT) and quantitative structural-activity relationships (QSARs) methods. Their performance as corrosion inhibitors were evaluated using their calculated quantum chemical parameters such as molecular weight, softness, electronegativity, dipole moments, hardness, bandgap energy (∆E), highest occupied molecular orbital energy (EHOMO), and the lowest unoccupied molecular orbital energy (ELUMO). Regression analysis was carried out using the ordinary least square method to develop a model that establishes the relationship between chemical parameters and inhibition efficiencies that have been measured experimentally. According to the results, quantum chemical parameters confirm the inhibition potential of TSC5 to be greater than TSC2, while the predicted inhibition efficiencies of the studied thiosemicarbazide derivatives correspond to experimentally reported values with a root mean square error (%) of 1.116 and correlation coefficient of 0.998. The high correlation demonstrates and validates the quantum chemical approach’s reliability in studying corrosion inhibition on a metal surface. The validation of the developed model internally and externally demonstrates that it is robust and stable, with high predictability Sat, 14 Jan 2023 00:00:00 GMT http://localhost:8080/xmlui/handle/123456789/2721 2023-01-14T00:00:00Z http://localhost:8080/xmlui/handle/123456789/2294 Chemotaxonomy of Vitex negundo L. essential oil from six states of the northcentral geopolitical zone of Nigeria OKOLI, B.J Vitex negundo L., has been associated with a number of pharmacological activities, including enzyme inhibition, antifeeding action, larvicidal activity, and mosquito repellent effect. Between June and September, 50 kg of plant material each were collected from six states in the North-Central geopolitical zone to explore the chemotaxonomical variation of the V. negundo essential oil yield and composition. For extraction, a custom-designed essential oil plant based on the steam distillation principle was employed, and for characterization, a Varian CP-3800 gas chromatograph with an HP-5 capillary column was used. Essential oil yields varied from 0.03 to 0.48% depending on weather factors and soil substructure type. Niger and Kogi samples had the largest and lowest essential oil production, respectively. Furthermore, the yields from Nassarawa, Plateau, and Kwara did not differ substantially (p > 0.05). The volatile oils had a wide range of compositions, according to GC-MS studies. Monoterpenes account for the bulk of the active components, accounting for 74.65–96.23 percent, with sesquiterpenes contributing about 0.75–16.32%. The most common monoterpenes (10%) found in V. negundo essential oil throughout the six states were α-phellandrene (20.27–34.65%), sabinene (11.31%–12.21%), β-pinene (42.04%), p-cymene, and myrcene (16.78%). Regardless of origin, all essential oil samples included α-pinene, linalool, cis-sabinene hydrate, citronellal, verbenone, and bornyl acetate. Finally, climate and soil type impact the quantity and content of essential oils. These chemical markers may be used to identify V. negundo essential oil. Sat, 01 Jan 2022 00:00:00 GMT http://localhost:8080/xmlui/handle/123456789/2294 2022-01-01T00:00:00Z http://localhost:8080/xmlui/handle/123456789/2293 Changes in the quality and yield of fish chub due to temperature fluctuations persevered with local spices OKOLI, B.J Temperature is a factor which affects microbiological quality of feeds during their storage. Three storage temperatures of the feeds for fish were taken into account in this study: -11°C, 5°C and 20°C. Analyses comprised the survival of proteolytic, ammonifying, psychrophilic and mesophilic bacteria as well as fungi. It was found that after 72-day storage of fish feed at the three temperatures, fungi showed the highest survival (56% - 80%). As regards the four physiological groups of bacteria, the highest survival was observed for mesophilic bacteria (6.25% - 9.58%), followed by psychrophilic ones (2.5 - 3.25%) and ammonifiers (0.07 -0.11%), while proteolytic bacteria showed the lowest survival (0%). No live cells of the latter bacteria were observed after 64-day storage of the feed at -11 and 5°C, and after 72-day storage at 20°C Thu, 01 Sep 2016 00:00:00 GMT http://localhost:8080/xmlui/handle/123456789/2293 2016-09-01T00:00:00Z http://localhost:8080/xmlui/handle/123456789/2292 CURCIN FROM JATROPHA CURCAS SEED AS A POTENTIAL ANTHELMINTHIC OKOLI, B.J The study was done with the aim to evaluate the anthelmintic activity of curcin from Jatropha curcas seed using adult earthworm Pheritima posthuma against Niclosamide (5 mg/mL) as standard references and normal saline as control. The activities of the possible crude curcin was determined on the tested parasites in this study so as to verify if the Jatropha curcas seed would be a potential sources of useful anthelminthic drugs by monitoring the time to achieve paralysis of the worms was determined. In the acute toxicity test, toxic signs were observed at 300mg/kg. However, the Pheritima posthuma displayed physical changes with LD50 of 800mg/kg per body weight. The toxicity of curcin in Pheritima posthuma is high; however, caution should be exercised in its use especially at high doses. Wed, 01 Jan 2014 00:00:00 GMT http://localhost:8080/xmlui/handle/123456789/2292 2014-01-01T00:00:00Z