Chemical Technology and Engineering Applications
Eco-Friendly Synthesis of Ag–Co3O4 Nanoparticles for Visible-Light Photocatalysis and DFT-Based Nonlinear Optical Investigation
Ag–Co3O4 nanoparticles were synthesized via an eco-friendly green route using Gum Arabic as a natural biopolymer, serving simultaneously as a reducing and stabilizing agent to enable controlled nanoparticle growth. The as-prepared nanomaterials were investigated for the visible-light-driven photocatalytic degradation of methyl orange (MO). Structural and morphological characterization using X-ray diffraction (XRD) confirmed the formation of a highly crystalline cubic phase with an average crystallite size of approximately 20 nm, which was in good agreement with the nearly uniform particle size observed by scanning electron microscopy (SEM). Ultraviolet-visible diffuse reflectance spectroscopy revealed a reduced optical band gap of 2.09 eV compared to pristine Co3O4, indicating enhanced visible-light absorption. Owing to these favorable structural and optical features, the Ag–Co3O4 nanoparticles exhibited excellent photocatalytic performance, achieving up to 96% degradation of MO within 3 h under visible-light irradiation at room temperature. To complement the experimental findings, density functional theory (DFT) calculations were carried out at the B3LYP level to examine the electronic structure and nonlinear optical (NLO) properties. The computed frontier molecular orbital (FMO) and charge-transfer characteristics revealed improved electronic delocalization, while significantly enhanced first hyperpolarizability values (β = 11,441.88 and 54,398.78 a.u.) confirmed strong NLO responsiveness. The combined experimental and theoretical results highlight the potential of green-synthesized Ag–Co3O4 nanomaterials for advanced photocatalytic and optoelectronic applications.
Ag–Co₃O₄ nanoparticles, Green synthesis, Gum Arabic, Photocatalytic degradation, Nonlinear optical, Density functional theory
Copyright (c) 2026 Muhammad Amir Abbas, Muhammad Shahid Rasool (Author) https://creativecommons.org/licenses/by/4.0
Unveiling the Bioactive Architecture of Garlic (Allium sativum): Optimized Extraction, Molecular Profiling, and Broad-Spectrum Antimicrobial Potency
The increasing issue of antimicrobial resistance has increased the effort to discover effective plant-based therapeutic options, and as a result, the bioactive composition and antimicrobial potential of garlic (Allium sativum) were investigated. Garlic cloves were processed in this study; air-dried; ground; and Soxhlet and maceration extraction using ethanol produced a high extract recovery of 50 percent. They were used to characterize the extract using fourier transform infrared spectroscopy (FTIR), phytochemical screening, antimicrobial bioassays, and X-ray fluorescence (XRF) elemental analysis. FTIR data showed the existence of prominent functional groups of alcohols, phenolics, aliphatic chains, carbonyl compounds, and sulfur-based compounds, indicating the presence of key organosulfur compounds, including allicin and ajoene. The phytochemical assessment revealed very high levels of alkaloids, flavonoids, saponins, tannins, glycosides, terpenoids, phenols, and steroids, which are all well-known agents of antimicrobial activity. Antimicrobial tests showed that it exhibited high and medium-high inhibitions against Staphylococcus aureus (25-32 mm), Escherichia coli (22-27 mm), and Candida albicans (24-28 mm), respectively, which showed to be broad-spectrum performance, especially against Gram-positive microbes. XRF analysis also confirmed mineral oxides such as Fe₂O₃, MnO, ZnO, TiO₂, CaO, MgO, and SO3, which are favorable SO₃, in the stimulation of oxidative stress, disruption of enzymes, destabilization of membranes, and promotion of overall antimicrobial activity. All these findings are to support the fact that garlic extract has considerable antimicrobial and antioxidant effects that are stimulated by synergistic effects of the phytochemicals and the bioactive mineral constituents. The results highlight the benefits of Allium sativum as a natural therapeutic agent and a feasible complementary approach to traditional antibiotics, in particular in the treatment of resistant microbial pathogens.
Allium sativum, Antimicrobial activity, Phytochemical profiling, Organosulfur compounds, DPPH radical scavenging assay
Copyright (c) 2026 Ruslan Shamsudden, Ajayi Israel Oluwasanmi, Kabiru Bashir Ahmad, Musa Yahaya Abubakar, Ataitiya Hyelalibiya, Ogar Faith Anani (Author) https://creativecommons.org/licenses/by/4.0
Programmable Nanocatalysts in Circular Chemistry: Toward Self-Learning and Reconfigurable Reaction Networks
Programmable nanocatalysis represents an emerging paradigm in sustainable chemistry, integrating nanoscale engineering, chemical feedback control, and artificial intelligence (AI) to achieve self-learning catalytic behavior. Unlike conventional static catalysts, programmable nanocatalysts programmableally modulate their structural and electronic properties in response to real-time reaction conditions, thereby enhancing activity, selectivity, and longevity. This research investigates the design principles, programmable mechanisms, and circular chemistry integration of programmable nanocatalysts, with emphasis on self-optimization, waste valorization, and energy-neutral reaction cycles. Through a systems-level framework combining molecular coding of reactivity, AI-driven performance optimization, and feedback-controlled reaction networks, the study demonstrates how self-regulating catalytic platforms can enable closed-loop, environmentally benign chemical processes. The findings reveal the transformative potential of self-learning materials in reshaping industrial catalysis, accelerating discovery-to-deployment timelines, and supporting circular economy objectives in chemical manufacturing.
Programmable nanocatalysis, Chemical self-learning, Circular chemistry, AI-driven catalysis, Programmable reaction networks
Copyright (c) 2026 Aikhoje Ezekiel Fred, Garindo Boro, Ugochukwu Gladys Chioma, Abdullahi Bilyaminu (Author) https://creativecommons.org/licenses/by/4.0
Biogenic Silver Nanoparticles as a Sustainable Surrogate to Conventional Antibiotics: Synthesis, Characterization, and Mechanistic Insights into Antibacterial Activity
Antimicrobial resistance (AMR) continues to compromise the effectiveness of existing therapies, highlighting the need for alternative antimicrobial agents. This study reports the green synthesis of biogenic silver nanoparticles (AgNPs) using an aqueous plant extract as a natural reducing and stabilizing system. The synthesis was carried out using 1 mM AgNO₃ with a 1:4 (v/v) ratio of plant extract to metal precursor under controlled conditions (pH 8.0, 60 °C, 45 min). UV-Visible spectroscopy confirmed AgNP formation through a surface plasmon resonance peak at 420 nm, with a full width at half maximum indicative of narrow size distribution. Fourier transform infrared spectroscopy analysis identified functional groups associated with phytochemicals responsible for reduction and capping, while X-ray diffraction revealed characteristic Bragg reflections corresponding to crystalline face-centered cubic silver. Transmission electron microscopy showed predominantly spherical nanoparticles with a mean diameter of 15-25 nm, supported by a size-distribution histogram and a polydispersity index of 0.21, confirming moderate monodispersity. The antimicrobial activity of the AgNPs was assessed against multidrug-resistant Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus), yielding minimum inhibitory concentration values of 8-16 µg/mL. These results demonstrate notable antibacterial efficacy but are interpreted without comparison to conventional antibiotics in the absence of direct experimental data. Cytotoxicity evaluation on mammalian fibroblasts showed >80% cell viability at concentrations up to 20 µg/mL, indicating acceptable biocompatibility within the tested range. Overall, the study establishes a well-characterized and environmentally sustainable route for AgNP synthesis and demonstrates their potential as supplementary antimicrobial agents in the context of rising AMR.
Biogenic silver nanoparticles, Green synthesis, Antibiotic surrogate, Antimicrobial resistance, Reactive oxygen species, Nanotechnology-based therapeutics
Copyright (c) 2026 Shagufta Parveen (Author) https://creativecommons.org/licenses/by/4.0
Synthesis, Characterization and Antimicrobial Studies of Benzophenone Oxime Derived from Benzophenone and Hydroxylamine and Its Metal(II) Complexes
The synthesis of benzophenone oxime was done through the reaction of benzophenone with hydroxylamine hydrochloride and complexed with Mn(II), Fe(II), Co(II), Cu(II), Zn(II), and Cd(II) chlorides to produce the corresponding Metal(II) complexes. This ligand was produced in 87.43%, and its melting point is 128 °C, and the complexes were obtained in 60-75% yield with decomposition temperatures of 162-178 °C, which showed great thermal stability. The elemental analyses indicated a ligand-to-metal ratio of 2:1, and the values of molar conductance (13.27-29.63 cm² mol-¹) indicated non-electrolytic behavior. The analysis of FTIR spectra revealed a C=N stretch at 1655 cm-¹ in the ligand, which changed to 1595-1654 cm-¹ in the complexes, with the new bands appearing at 430-506 cm-¹, indicating N,O-coordination. Mn(II), Fe(II), Co(II), and Cu(II) complexes were found to be paramagnetic with Mn(II), Fe(II), Co(II), and Cu(II), whereas Zn(II) and Cd(II) were found to be diamagnetic. The ligand exhibited π→π* transitions at 250-320 nm and n→π* transitions at 350-370 nm in the UV-vis spectra, and bathochromic shifts occurred in all the complexes. Mn(II) demonstrated the d-to-d bands at 400-600 nm, whereas Co and Cu resembled the ligand with broader bands at 500-600 nm, which can be attributed to d-to-d and ligand-to-metal charge transfer, respectively. Zn and Cd resembled the ligand, which is expected in the d10 kind of configurations. TGA showed an increase in thermal stability of all complexes with increased residual masses at 800 °C, indicating the formation of stable metal oxides. Antimicrobial activity of Cu(II) and Cd(II) complexes against Staphylococcus aureus (S. aureus), Salmonella typhi (S. typhi) , Escherichia coli (E. coli), Candida albicans (C. albicans), and Aspergillus flavus (A. flavus) indicated that complexes were more active than the free ligand. These results indicate the thermal stability of the complexes and possible pharmaceutical use, which awaits toxicity testing.
Oxime ligand, Transition metal complexes, Coordination chemistry, Antimicrobial activity, Bioinorganic chemistry
Copyright (c) 2026 Umar Jari, Junaidu Na'aliya, Ansar Bilyaminu Adam, Raymond Bwano Donatus, Ataitiya Hyelalibiya (Author) https://creativecommons.org/licenses/by/4.0