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Item type:Item, Parental child abduction in Nigeria: Legal challenges and pathways to justice(2025) Shittu-Adenuga, Zaynab OmotoyosiParental child abduction has become a pressing concern in Nigeria, although it is not as prominently reported or studied as other forms of abduction. Increasingly, one parent unlawfully takes children out of Nigeria without the authorisation of the other parent, leaving the left-behind parent grappling with legal, emotional, and logistical challenges to recover their children. Often, these efforts are futile, with some parents losing access to their children permanently. This research examines the existing legal frameworks governing child abduction, evaluates their effectiveness, and identifies the gaps that hinder justice for affected families. This research adopts a doctrinal methodology which entails the use of primary sources of data such as the Child Rights Act 2003, Criminal Code Act, United Nations Convention on the Rights of the Child (UNCRC) and the Hague Convention on International Child Abduction, and relevant case laws. The secondary sources include articles, dictionary and internet materials. Findings reveal significant deficiencies in Nigeria’s legal framework, including the absence of ratification of key international treaties, limited enforcement mechanisms for court orders, and insufficient collaboration between Nigeria and other jurisdictions. The study also identifies a lack of awareness and support systems for affected families, further complicating recovery efforts. Based on these findings, the research recommends Nigeria’s urgent ratification of the Hague Convention, the establishment of a specialised child abduction unit within the judiciary, and enhanced cross-border cooperation through bilateral agreements. It concludes by emphasising the need for a robust legal and institutional framework to safeguard children’s welfare and uphold the rights of parents within the evolving dynamics of family disputes.Item type:Item, Dataset on insightful bio-evaluation of 2-(quinoline-4-yloxy)acetamide analogues as potential anti-mycobacterium tuberculosis catalase-peroxidase agents via in silico mechanisms(2021) Adeoye, Moriam DasolaThe continuous havoc wrecked by tuberculosis among humans worldwide remains colossal. In this work, twenty- one (21) 2-(quinoline-4-yloxy)acetamide analogues were observed against Mycobacterium tuberculosis catalase- peroxidase (This enzyme shields bacteria from poisonous drug-like molecules) (PDB ID: 1sj2) using density functional theory method, QSAR study using material studio software and docking method via PyMol, AutoDock Tool, AutoDock Vina and Discovery studio 2017 as well as ADMET study via admetSAR2. Twelve descriptors were obtained from the optimized compounds which were used to develop valid QSAR model. More so, the binding affinity be- tween 2-(quinoline-4-yloxy)acetamide analogues and Mycobacterium tuberculosis catalase-peroxidase (PDB ID: 1sj2) via docking method were reported. ADMET properties of some selected compounds were also examined.Item type:Item, Late transition metal complexes bearing chitosan-2,6-pyridine dicarbamide as an intrinsic heterogeneous catalytic converter of 4-nitrophenol(2025) Adeoye, Moriam DasolaThe quest for biopolymeric-based heterogeneous catalysts is rapidly increasing owing to added intrinsic recompense. In this study, Chitosan-2, 6-pyridine dicarbamide (CPDC) ligand, and its metal ion complexes [MCPDC] were synthesized by direct combination method. The characterization of the complexes by FTIR suggested that the amide coordinated with the metal ion through the carbonyl of the amide group. The SEM micrograph of [M-CPDC] showed discrete particles in contrast to the rough surface of CPDC which suggests coordination. The XRD diffractogram of chitosan, CPDC, and [M-CPDC] revealed semi-crystalline, amorphous, and crystalline respectively. The [M-CPDC] were applied as heterogeneous catalysts for the reduction of toxic organic pollutants, 4-Nitrophenol to an environmentally friendly 4-Aminophenol. The synthesized catalysts lowered the activation energy (Ea) range of 0.84–1.30 kJmol− 1 . However, [CPDC-Ni] showed the highest activity (Ea = 0.84 kJmol− 1 ). The synthesized catalysts displayed higher catalytic activities (reduction process within 60 s) than previously reported. The catalysts were reusable at least five times in the reduction of 4-Nitrophenol.Item type:Item, Molecular properties and in silico bioactivity evaluation of (4-fluorophenyl)[5)-3-phen-(4-nitrophenyl Yl-4,5-dihydro-1H-pyrazol-1-Yl]methanone derivatives: DFT and molecular docking approaches(2023) Adeoye, Moriam DasolaObjectives: Molecular structures, spectroscopic properties, charge distributions, frontier orbital energies, nonlinear optical (NLO) properties and molecular docking simulations were analyzed to examine the biousefulness of a series of (4-fluorophenyl)[5-(4- nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl] methanone derivatives. Methods: The compounds were studied through computational methods. Equilibrium optimization of the compounds was performed at the B3LYP/6-31G(d,p) level of theory, and geometric parameters, frequency vibration, Q7 UVevis spectroscopy and reactivity properties were predicted on the basis of density functional theory (DFT) calculations. Results: The energy gap (DEg), electron donating/ accepting power (u/uþ) and electron density response toward electrophiles/nucleophiles calculated for M1 and M2 revealed the importance of substituent positioning on compound chemical behavior. In addition, u/uþ and DEn/DEe indicated that M6 is more electrophilic because of the presence of two NO2 groups, which enhanced its NLO properties. The hyperpolarizability (b0) of the compounds ranged from 5.21 1030 to 7.26 1030 esu and was greater than that of urea; thus, M1eM6 were considered possible candidates for NLO applications. Docking simulation was also performed on the studied compounds and targets (PDB ID: 5ADH and 1RO6), and the calculated binding affinity and non-bonding interactions are reported. Conclusion: The calculated u and uþ indicated the electrophilic nature of the compounds; M6, a compound with two NO2 groups, showed enhanced effects. Molecular electrostatic potential (MEP) analysis indicated that amide and nitro groups on the compounds were centers of electrophilic attacks. The magnitude of the molecular hyperpolarizability suggested that the entire compound had good NLO properties and therefore could be explored as a candidate NLO material. The docking results indicated that these compounds have excellent antioxidant and anti-inflammatory properties.Item type:Item, Biological evaluation of selected metronidazole derivatives as anti-nitroreductase via in silico approach(2022) Adeoye, Moriam Dasola; Adigun, Rasheed AdewaleThe 1-(2-hydroxyethyl)-2-methyl-5 nitroimidazole (2HMN) is a powerful antibacterial and antiparasitic drug used alongside other drugs against Helicobacter pylori infection and was investigated the effects of substituents: –OH (A), H (B), –SPh (C), –COOH (D), –NO2 (E) and –OCH3 (F) on the interactions of 2HMN with the target nitroreductase Rdxa protein for the treatment of the infection. Spartan 14 (optimization), PyMOL 1.7.4.4 (to treat downloaded protein), Autodock Tool (locate protein binding site), Autodock vina 1.1.2 (docking calculation) were used to discover the nonbonding interaction between docked complexes using SWISSADME and Pre-ADMET software. The band gaps order for the studied compounds were C < A < F < B < D < E, a probability of highest charge distribution and activity for SPh substituted derivatives and the ligands conformed to the Lipinski’s rule of five. Compounds D and E are noninhibitors and nonsubstrate for cytochrome P450 2C9, P450 2D6, P450 2C19 with the same efficient calculated binding affinity (–21.3 kJ mol–1) and inhibition constant (7.8) comparable to the standard compound A.