This study reports the synthesis and characterization of a new tetradentate dioxime ligand (H2L) and its cobalt(III) complexes, [CoHLCl2], [CoHLBr2], and [CoLpyBr]Br. The complexes were fully characterized by elemental analysis, mass spectrometry, FTIR, UV-Vis, NMR, PXRD with Rietveld refinement, cyclic voltammetery, SEM, and zeta potential measurements, complemented by DFT calculations. The axial ligand significantly influences the structural, electronic, and catalytic properties. All complexes adopt a distorted octahedral geometry (triclinic, P-1 space group) with the dioxime ligand occupying equatorial positions. The HOMO-LUMO gap increases as [CoHLpyBr]Br (5.424 eV) < [CoHLBr2] (5.619 eV) < [CoHLCl2] (6.032 eV), correlating with chemical hardness and electrophilicity. The complexes exhibit efficient oxidase-mimetic catalytic activity for the aerobic oxidation of catechol derivatives (3,5-DTBCH2, 4-TBCH2, pyrocatechol, and 4-nitrocatechol) to the corresponding quinones. Catalytic activity follows the order [CoHLpyBr]Br > [CoHLCl2] > [CoHLBr2], with turnover frequencies reaching 21.84 h(-1) for 3,5-DTBCH2 under homogeneous conditions. The pyridine-containing complex demonstrates excellent recyclability over five cycles (<1.5% activity loss) due to its hierarchical porous morphology (SEM) and optimal surface charge (zeta potential = 19.5 mV). Kinetic stopped-flow studies reveal a two-step mechanism involving substrate binding followed by O-2 activation, with the thermodynamic driving force (Delta G degrees) for the 2Co & sup3;(+)/2Co & sup2;(+) couple being the key predictor of catalytic efficiency. Negative Delta G degrees values (-48.24 to -47.27 kJ mol(-1) V-1) for 3,5-DTBCH2 enable high activity, whereas positive Delta G degrees (45.63-47.56 kJ mol(-1) V-1) for 4-nitrocatechol suppresses quinone formation despite strong substrate binding. DFT-derived global reactivity descriptors (Delta E, eta, S, omega) successfully rationalize the experimental activity trend, establishing a predictive framework for designing efficient biomimetic oxidation catalysts.
Due to its NP-hard nature, the electric vehicle charging scheduling problem requires a robust optimization algorithm capable of producing accurate solutions within a reasonable computational cost. Existing algorithms reviewed in the literature often suffer from either slow convergence speed or an inability to escape local optima. Therefore, this study proposes a novel evolutionary algorithm, termed FL-SHADE, designed to address these limitations by achieving a better balance between exploration and exploitation. This algorithm combines the FGO algorithm with the adaptive L-SHADE algorithm to present a new variant, namely FL-SHADE. The FGO algorithm has robust exploration that helps escape from local optima but suffers from a poor exploitation operator, leading to slow convergence. In contrast, the AL-SHADE algorithm is known for its effective exploitation but limited exploration. By leveraging the complementary strengths of both algorithms, FL-SHADE features strong abilities to avoid stagnation in local optima and accelerate convergence toward high-quality solutions. FL-SHADE is initially assessed using the CEC2017 benchmark and compared with several competing algorithms based on several performance indicators to evaluate its stability and effectiveness. According to the experimental results, FL-SHADE can outperform all algorithms on 15 of 29 test functions, be competitive on 12, and perform worse on only 2, demonstrating that it is a robust alternative for addressing continuous optimization challenges. Subsequently, FL-SHADE is evaluated on 12 charge scheduling problems under four different penetration levels and three scenarios to assess performance at small, medium, and large scales. In addition, it is compared with several high-performing and recently proposed optimization algorithms to validate its effectiveness and stability. The experimental results indicate that FL-SHADE outperforms competing algorithms in eight test cases, whereas AL-SHADE performs better in the remaining cases, suggesting that both algorithms are strong candidates for solving electric vehicle charge scheduling problems.
This study presents an efficient approach for synthesizing a new class of imidazo[1,2-a]pyrimidine derivatives using a silver nanoparticle-catalyzed multicomponent reaction. The functionalized imidazo[1,2-a]pyrimidine derivatives are useful in biochemistry and medical science. Under the investigated reaction conditions, the developed protocol showed improved catalytic performance compared with the conventional bases evaluated, affording the target compounds in higher yields and shorter reaction times under mild conditions. A multi-target therapeutic approach was adopted to evaluate the renoprotective potential of the synthesized compounds through inhibition of xanthine oxidase (XO), carbonic anhydrase II (CA II), and angiotensin-converting enzyme (ACE). In addition, molecular docking, DFT calculations, and molecular dynamics simulations were performed to investigate ligand target interactions and molecular stability, providing insight into the structural features associated with the observed biological activity. Notably, compounds 7, 4, 8, and 3 exhibited the most promising profiles across the investigated targets. The in vitro biological evaluation was generally consistent with the computational predictions. Compound 7 demonstrated potent antioxidant activity (IC50 = 37.78 & micro;M), significant intracellular ROS reduction, and an excellent safety profile in HK-2 cells. Compound 8 showed remarkable ACE inhibitory activity (IC50 = 0.083 & micro;M), while compound 3 displayed superior CA II inhibition (IC50 = 0.052 & micro;M). Importantly, most compounds exhibited low cytotoxicity, indicating favorable therapeutic potential.
This comprehensive review presents a thorough examination of recent advances in nanoemulsion (NE) green technology, focusing on biomass-assisted synthesis, characterization, and the diverse biomedical implications of these nanoscale emulsions. NEs, characterized by their minute droplet sizes and kinetic stability, have garnered considerable attention due to their potential applications across various biomedical fields. This review presents a comprehensive analysis of state-of-the-art synthesis methods, including mini-emulsion polymerization, NE–solvent evaporation, spontaneous emulsification, sol–gel techniques, and innovative strategies for producing complex multicomponent materials. Emphasis is placed on the evolution of synthetic approaches, offering insights into the current landscape of NE production. In exploring the biomedical applications, the study categorizes nanocarriers formed within NEs, distinguishing between polymeric, inorganic, and hybrid nanocarriers based on their chemical composition. Noteworthy advancements in synthetic strategies are outlined for each category, showcasing the dynamic nature of NEs technology. A key highlight is the discussion of emerging trends in biomedical applications, spanning medicine, food, agriculture, cosmetics, and environmental science. Specific attention is given to the role of NEs in nanofiltration, elucidating their effectiveness in removing diverse pharmaceuticals through polyamide nano-filters. Moreover, the manuscript delves into the pivotal role of NEs in bioremediation, addressing hazardous substances such as PFASs through adsorption, photo-degradation/defluorination, and other innovative mechanisms. This review aims to provide a contemporary overview of green NE technologies, offering valuable insights for researchers, scientists, and practitioners in nanotechnology, pharmaceuticals, and biomedical sciences.
