The increase in antibiotic resistance seriously threatens public health, emphasizing the necessity for new approaches to improve antibiotic efficiency and limit the proliferation of antibiotic-resistant microorganisms. Among emerging methods, carriers based on Layered Double Hydroxides (LDHs) have garnered attention because of their innate structural and chemical features. This study presents a bibliometric analysis of recent advancements in this domain, identifies key opportunities for interdisciplinary collaboration, and outlines strategic directions for the future development of LDH-based sustained antibiotic release systems. A total of 217 publications were sourced from Web of Science Core Collection using a combination of keywords related to LDH for sustained antibiotic release. The data was analysed using VOSviewer and Bibliometrix. The study investigates patterns such as citation trends, keyword co-occurrence, thematic evolution, three-field plots, and geographical research distribution. Following this investigation, the results demonstrate that China (85 publications) and Italy (25 publications) stand out as key contributors in this field. Applied Clay Science (17 articles), International Journal of Nanomedicine (7 articles), and International Journal of Biological Macromolecules (6 articles) are the most prolific journals. The keyword co-occurrence revealed that “LDH”, “Sustained release”, and “Drug delivery” are significant areas of interest. The analysis also highlights prominent authors, highly cited works, funding sources, and relevance to SDGs, providing valuable insights for future research directions in the field of drug delivery.
A matrix-adapted QuEChERS/LC–MS/MS workflow was validated for seven strobilurin fungicides in grape berries, grape leaves, and raisins and applied to 200 retail samples marketed as domestically produced in Najran, Saudi Arabia: 100 grape berry, 50 grape leaf, and 50 raisin samples. The method showed satisfactory selectivity and matrix-matched linearity (R² = 0.9948–0.9995). Verified LOQs were 1–5 µg/kg in grape berries, 10–50 µg/kg in grape leaves, and 1–10 µg/kg in raisins. Recoveries ranged from 80.6
Accurate prediction of the volume of coal rock gas is a key prerequisite for the low carbon transformation of the coal industry. Based on this foundation, strengthening the extraction and utilization of gas, and through the substitution of methane for fossil fuels, coupling CO₂ displacement for increased production and geological storage technologies, it is possible to jointly achieve methane emission control, resource efficiency improvement, and carbon sequestration, precisely meeting the industry’s demands for low carbon development. This study takes the 21,605 working face of Guizhou Qinglong Coal Mine as the research object. Employ COMSOL software for multi-physics field simulations and integrate machine learning models to predict gas extraction volumes, further refining the prediction accuracy through optimization algorithms. The results demonstrate that the combination of numerical simulation and machine learning methods markedly boosts the precision and reliability of gas extraction volume predictions. Evaluation using the Entropy Weight Method shows that the eXtreme Gradient Boosting (XGBoost)- Long Short-Term Memory (LSTM) hybrid model has the highest weight. Compared to the base XGBoost model, MAE, MAPE, MSE, and RMSE decreased by 72.64
The booming global market for tea and new-style tea beverages has inevitably generated enormous quantities of waste tea residues, posing an urgent waste management challenge. Herein, spent tea leaves generated from tea beverage factory were employed as the precursor to synthesis N-doped magnetic biochar (NMTB) via one-step hydrothermal carbonization method with the modification by urea and FeCl3. The adsorption performance of hexavalent chromium (Cr(VI)) of NMTB was better than pristine tea waste biochar. Furthermore, response surface methodology indicated that the best preparation temperature and time of NMTB were 200 °C and 4 h, respectively. The prepared NMTBs were characterized by SEM, BET, XRD, FTIR and XPS, showing the successful doping of N and Fe. Additionally, NMTB exhibited excellent Cr(VI) removal of 96.90
This work reported on boron-, fluorine-, and nitrogen-co-doped carbon dots (B/F/N-CDs) produced via a straightforward one-step hydrothermal process, followed by a detailed characterization of their properties. The B/F/N-CDs exhibited bright visible fluorescence, which was rapidly quenched by doxycycline (DOX) through a dynamic quenching mechanism. A fluorescent sensing platform for doxycycline was established, showing good linearity within the concentration range of 0.138–0.421 mM. Satisfactory recoveries (97.79-102.77
In this work, a sulfonated hydrogel and its magnesium oxide nanoparticle–reinforced nanocomposite (MgO@S‑hydrogel) were synthesized and evaluated for the removal of crystal violet (CV) dye from contaminated water. The pure hydrogel was prepared via free‑radical polymerization, while MgO nanoparticles were incorporated into the hydrogel matrix to form the hybrid nanocomposite. Comprehensive physicochemical characterization of MgO NPs and MgO@S‑hydrogel was performed using FESEM, EDX, FTIR, and TGA/DTA, providing insight into their structural, morphological, elemental, and thermal properties. Surface characteristics, including the point of zero charge (pHPZC) and pH‑dependent swelling behavior, were also examined to understand the adsorption mechanism better. The adsorption performance of the prepared materials toward CV dye was investigated by varying pH, initial dye concentration, contact time, and temperature. The MgO@S‑hydrogel exhibited significantly enhanced adsorption behavior compared to the pure hydrogel, achieving a maximum adsorption capacity of 822.36 mg/g as described by the Langmuir isotherm. Kinetic analysis revealed that the adsorption process is best described by the Elovich model (R² = 0.991), indicating a heterogeneous, multi‑step adsorption mechanism. Thermodynamic parameters (ΔG° = −10.54 to − 9.58 kJ/mol; ΔH° = −29.89 kJ/mol) confirmed that the adsorption is spontaneous and exothermic. The nanocomposite also demonstrated excellent reusability, retaining over 88
Benzene, as a ubiquitous and carcinogenic volatile organic compound (VOC), presents substantial health risks through inhalation exposure from ambient indoor environments and cigarette mainstream smoke, necessitating the development of advanced adsorbent materials. Herein, zeolitic imidazolate framework-8/cellulose acetate (ZIF-8/CA) composite porous carbon materials were synthesized via a dual emulsion-solvent evaporation method coupled with subsequent high-temperature carbonization. Systematic studies were conducted to evaluate the effects of ZIF-8/CA mass ratios on the microstructure, pore architecture, and the benzene adsorption property. The results of the relevant characterizations revealed that the composite prepared at a 4/6 mass ratio exhibited an excellent BET specific surface area with the highest value of 1380 m2/g and mesopore volume of 0.77 cm3/g, alongside a well-defined hierarchical pore network spanning microporous, mesoporous, and macroporous regimes. Dynamic benzene vapor adsorption tests demonstrated that this optimized formulation achieved a dynamic saturation adsorption capacity of 235.0 mg/g. Kinetic analysis employing the Apiratikul-Chu and Adams-Bohart models yielded high correlation coefficients, indicating that benzene adsorption was governed by surface adsorption and mass‑transfer mechanisms. When applied in cigarette mainstream smoke purification, the ZIF-8/CA composite exhibited a benzene removal efficiency of 49.0
The study investigates the effect of a multifunctional, green-synthesized silver zeolite (Ag-Zeo) coating on AISI 316 L stainless steel, fabricated using an immersion assisted hydrothermal technique, for potential applications in bone tumor treatment and antifungal therapy. The formation of the Mobil-type five zeolite (MFI) phase with a hierarchical pore structure, along with the incorporation of silver into the green zeolitic framework, was characterized using X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) surface area analysis, diffuse reflectance UV-visible (DRS UV-vis) spectroscopy, and Fourier-transform infrared (FTIR) spectroscopy. XRD analysis confirmed the crystalline ZSM-5 (Zeolite Socony Mobil–5) structure, while BET analysis revealed a surface area of approximately 474 m2/g and an average pore size of 2.24 nm. Scanning electron microscopy-Energy dispersive X-ray (SEM) and transmission electron microscopy (TEM) analyses revealed the formation of micron-sized zeolitic structures and a homogeneous deposition of the Ag-Zeo coating as a thin film on stainless-steel substrate. EDX elemental mapping further demonstrated the uniform distribution of Ag Si, Al, and O throughout the coating. The corrosion resistance of the coated implant was investigated using DC polarization measurements. The Ag-Zeo coated stainless steel demonstrated stable behavior with a corrosion-resistive interface. Furthermore, the Ag-Zeo coating exhibited pH-responsive release of the chemotherapeutic agent cisplatin (CP) under acidic tumor-mimicking conditions (pH 5.6). The coating was also tested for its antibiofilm efficacy against implant-associated fungi, specifically Candida albicans, and showed significant anti-adhesion activity in adhesion assays.
Nitriles are among the most important functional groups in modern organic chemistry because they are widely used in pharmaceuticals, agrochemicals, dyes, advanced materials, and numerous industrial products. Cyanation reactions remain among the most efficient methods for introducing the cyano (–C≡N) group into organic molecules. However, traditional cyanation processes often involve toxic cyanide reagents, harsh reaction conditions, difficult catalyst separation, and environmental concerns. In recent years, magnetic reusable nanocatalysts have emerged as attractive alternatives due to their unique ability to combine high catalytic efficiency with simple magnetic recovery and excellent recyclability. This review highlights recent progress in the development of magnetic nanocatalysts for nitrile synthesis through cyanation reactions. Various catalytic systems based on Fe₃O₄, γ-Fe₂O₃, and CoFe₂O₄ magnetic supports functionalized with palladium, copper, cobalt, zinc, gold, and organocatalytic active species are comprehensively discussed. The review covers catalyst design, synthesis, characterization, substrate scope, reaction optimization, catalytic mechanisms, and recycling performance. Special attention is given to sustainable and environmentally friendly approaches. These include safer cyanide sources such as K₄[Fe(CN)₆], TMSCN, nitromethane, and ammonium formate, as well as green solvents and mild reaction conditions. Most of the reported catalytic systems exhibited excellent yields, broad functional-group tolerance, low metal leaching, and efficient recyclability over multiple cycles. Overall, magnetic reusable nanocatalysts represent highly promising and sustainable tools for modern nitrile synthesis and are expected to play an increasingly important role in green industrial and pharmaceutical chemistry.
We report the cost-effective SnO₂–ZrO₂ (1:1) mixed oxide catalysts by co-precipitation and calcined at different temperatures (400–800 °C) to explore the impact of calcination-driven structural changes on selective transfer hydrogenation (TH) reaction of cinnamaldehyde (CAL) with some lower alcohols to cinnamyl alcohol (COL). We also compared the activity of pure SnO₂ and ZrO₂. We systematically characterised the catalysts using a range of analytical techniques. In addition to optimising calcination temperature, this work provides new insight into the decisive role of Lewis acidity, in which synergistic interactions between Sn4+ –Zr4+ cations coordinate crystallinity and surface area, thereby modulating structural and catalytic properties. The TH reaction of CAL with isopropyl alcohol (IPA) using the SZ-6 (600°C) catalyst displayed superior activity, with 87.5
To enhance the filtration and antifouling properties of polyvinylidene fluoride (PVDF) ultrafiltration membranes, a dual modification strategy was implemented. First, a poly(sodium p-styrene sulfonate) (PSS) polymer was synthesized via free-radical polymerization, and PSS/PVDF membrane with a semi-interpenetrating polymer network (semi-IPN) structure was fabricated via a one-pot strategy combined with the non-solvent induced phase separation (NIPS) method. Subsequently, a polyaniline (PANI) layer was firmly anchored onto the PSS/PVDF membrane surface through two distinct surface polymerization approaches: adsorption followed by polymerization and synchronous polymerization. Under optimal preparation conditions, the resulting PANI-modified PSS/PVDF ultrafiltration membrane demonstrated a high flux of 401.03 L·m⁻²·h⁻¹, a bovine serum albumin (BSA) rejection rate of 99.02
In this study, selenium-doped nickel oxide nanoparticles (Se–NiONPs) were successfully green synthesized using Rosa damascena leaf extract as a natural reducing and stabilizing agent. The novelty of the present work lies in the development of phyto-mediated Se–NiONPs with comprehensive multifunctional biomedical evaluation, including anticancer, antibacterial, antibiofilm, anti-virulence, antioxidant, and enzyme inhibitory activities. Phytochemical analysis confirmed the presence of phenolic and flavonoid compounds that contributed to nanoparticle formation and stabilization. The synthesized nanoparticles were characterized using UV–Vis, FTIR, XRD, SEM, TEM, EDX, elemental mapping, DLS, TGA, and BET analyses, confirming their crystalline nanoscale structure with an average particle size of 41.8 ± 20 nm and a zeta potential of + 15.1 mV. Cytotoxicity analysis revealed selective anticancer activity toward HeLa cells (IC₅₀ = 239.4 µg/mL) compared to normal Vero cells (IC₅₀ = 407.9 µg/mL) with a selectivity index of approximately 1.7. Flow cytometry demonstrated significant apoptosis induction and G2/M cell cycle arrest, while RT-qPCR analysis showed upregulation of caspase-3 and BAX and downregulation of Bcl-2, indicating activation of the mitochondrial apoptotic pathway. In addition, Se–NiONPs exhibited potent antibacterial activity against Pseudomonas aeruginosa, Staphylococcus aureus, and Escherichia coli, with inhibition zones ranging from 15.56 to 18.4 mm, MIC values of 200–400 µg/mL, and MBC values of 200–800 µg/mL. The nanoparticles also demonstrated concentration-dependent antibiofilm activity, achieving maximum inhibition percentages of 68.79
New thieno[2,3-c]pyridazine compounds incorporating various thiazole ring systems were prepared via different synthetic approaches and their chemical structures were verified by the spectral analyses (IR, NMR, and MS). The DFT/B3LYP optimized structures of thienopyridazine hybrids displayed non-planar geometries. Structural modifications significantly influenced frontier orbital structures, with the parent aminothienopyridazinyl 3 showing HOMO–LUMO localized on the fused ring system and characterized by π-π* transitions. In contrast, the nitro-substituted analogues had a LUMO primarily localized on the benzylidene phenyl, indicating a notable separation between donor and acceptor regions. Also, the synthesized analogues were assessed for their cytotoxicity against different cancer cells, where the analogue 8 presented significant antiproliferative properties against both HT-29 and MCF-7 cells (IC₅₀ = 12.57 ± 0.31 and 17.66 ± 0.39 μM), close to doxorubicin reference. More significantly, most analogues showed high selectivity index values against WI-38 cells. Molecular docking studies against PDB:3T0Z showed binding scores (S) ranging from -4.9488 (for 4) to -7.2492 kcal/mol (for 8). The molecular docking showed that derivatives with thiazole and thiazolidinone groups exhibited enhanced binding, where such rings increased hydrophobic and pi-stacking interactions. Pharmacokinetic and drug-likeness profiles revealed that analogues 8, 9, and 10a, exhibited high GI absorption, owing to their large molecular weights and topological polar surface area. On the other hand, the compounds have not been found to cross the BBB. This suggests that the synthesized analogues are appropriate drugs against non-CNS diseases.
The novel heterojunction MgTiO3/Sm3+-Bi2S3 nanocomposite was designed to perform dual functionality through the generation of reactive oxygen species (ROS) to target environmental and biomedical applications. Structurally and interfacially, the coupling of Sm3+-doped Bi2S3 and MgTiO3 is confirmed as the development of a heterostructure that demonstrates improved crystallinity and surface reactivity. Concerning the optics, there was a major redshift and band gap narrowing (similar to 2.8 eV) which resulted in increased visible-light absorption and decreased recombination of charge carriers. When subjected to visible-light irradiation, the heterojunction was able to photo catalytically degrade about similar to 98% of the Acid Red-95 (AR-95) achieving that degradation within 60 min which followed pseudo-first-order kinetics (k = 0.0565 min(-1), R-2 = 0.998). Through both electron spin resonance and radical scavenging experimental techniques, we were able to identify the oxidative species, center dot OH and O-2(center dot-) as being the major contributors. Additionally, it was confirmed that the nanocomposite incited a concentration-dependent apoptosis and severe morphological disruption of HeLa cells by increasing ROS mediated oxidative stress. The alteration of charge carrier dynamics and the sustained generation of ROS within the range of oxide-sulfide heterojunctions demonstrates that the MgTiO3/Sm3+-Bi2S3 is an exceptional candidate for the simultaneous photocatalytic remediation and cancer therapy approaches.
In this study, a novel green synthesis method of phytochemical functionalized carbon quantum dots (CQDs) by sucrose pyrolysis passivated with fennel (Foeniculum vulgare) seed extract is reported. UPLC-MS analysis in dual ESI+/ESI− modes comprehensively revealed bioactive phytochemicals, including trans-anethole derivatives, phenolic glycosides, and sesquiterpenes. Structural improvements were observed in carbon quantum dots functionalized with fennel seed extract (CQDs-F): XRD and FTIR showed the specific interfacial binding processes with fennel extract. TEM confirmed a quasi-spherical morphology in the range of 4.05–6.9 nm. CQDs-F demonstrated notable bioactivity and selective antibacterial efficacy against Gram-negative E. coli, with an inhibition of 23.33 ± 0.58 mm at 1000 µg/ml, which was four times higher than that observed for Gram-positive isolates. The MIC results were in agreement with the results obtained by the well diffusion assay where E. coli which showed the largest inhibition zones for all concentrations tested had the lowest MIC value (62.5 µg/ml) while S. aureus, B. subtilis and P. aeruginosa, which showed no inhibition below 125 µg/ml in the well diffusion assay, showed a MIC of 125 µg/ml by the broth microdilution method. Furthermore, a dose-dependent antioxidant activity was demonstrated with a DPPH IC50 of approximately 12.75 µg/ml in the range 3.9–1000 µg/ml, owing to the synergistic reactive oxygen species-scavenging effects of UPLC-MS-characterized polyphenols. CQDs-F in vitro toxicity was assessed on three cell lines namely human colon carcinoma (Caco-2) and human breast cancer (MCF-7) cells with inhibitory IC50 Vero = 479.8 > Caco-2 = 160.2 > MCF-7 = 134.8 µg/ml. This preliminary study evaluated the antibacterial, antioxidant and anticancer potentials of CQDs-F.
Nanoparticles indicate strong promise in treating spinal cord injury by targeting secondary damage like inflammation and oxidative stress, primarily in preclinical animal models. Research highlights their ability to cross the blood-spinal cord barrier, deliver drugs precisely, and increase neural repair. In this study, we used a contusive spinal cord injury animal model to evaluate the neuroprotective qualities of silver nanoparticles combined with metal-organic framework (MOF) synthesized via Tribulus terrestris leaf extract. XRD, EDX, FE-SEM, FT-IR, TEM, and zeta potential tests were used to thoroughly characterize the Ag NPs-MOF/Tribulus terrestris. In the study, forty male rats were divided into four groups: sham, intact, control, and Ag NPs-MOF/Tribulus terrestris (100 µg/kg) groups. The BBB score evaluated the rats’ behavior weekly following the onset of spinal cord damage. Neural conduction recovery was evaluated using somatosensory evoked potential testing, while GFAP expression was examined to determine the astrogliosis presence. H E staining was used to analyze the lesions after the injury. When Ag NPs-MOF/Tribulus terrestris was used, the spinal cord damage contusive model in Wistar rats improved and revealed neuroprotective properties. The Ag NPs-MOF/Tribulus terrestris group revealed a notable rise in the number of ventral motor neurons and a marked reduction in cavity areas. Ag NPs-MOF/Tribulus terrestris significantly reduced GFAP levels. The group treated with Ag NPs-MOF/Tribulus terrestris demonstrated a large decrease in delayed reactions and a notable increase in BBB scores. The rats that received Ag NPs-MOF/Tribulus terrestris treatment showed a significant improvement in hindlimb function, based on the EMG data. Ag NPs-MOF/Tribulus terrestris exhibits outstanding antioxidant capability against DPPH and antibacterial activities against Staphylococcus aureus and Escherichia coli O157:H7, according to in vitro biological tests. Additionally, Ag NPs-MOF/Tribulus terrestris exhibited little cytotoxicity against HUVECs. The latest Ag NPs-MOF/Tribulus terrestris can be utilized to treat spinal cord injuries in humans after completing clinical trial research. Not applicable.
Abstract Piperazine is a nitrogen-containing heterocycle widely present in pharmacologically active compounds. Multicomponent strategies, particularly Mannich-type reactions, have proven highly effective for introducing molecular complexity and functional diversity into piperazine frameworks. Various noteworthy activities exhibited by piperazine-based Mannich bases include anti-cancer, antioxidant, analgesic, antiviral, antifungal, anti-inflammatory, and antibacterial properties. Herein, we have compiled literature reports from 2020 to 2025 that systematically explore synthetic advancements for piperazine-based bioactive scaffolds via Mannich-type approaches. The synthetic approaches encompass the three-component Mannich-type condensation, multicomponent reaction variations, and green or catalytic methods. Emphasis is placed on their role in enhancing scaffold diversity and drug discovery within sustainable chemistry.
The synthesis of chromene derivatives is a crucial focus in chemical research due to their significant pharmaceutical and biological relevance. In this work, we introduce a new, straightforward, and highly efficient magnetically retrievable nanocatalyst: hydrazine-immobilized SiO2@Fe3O4 nanoparticles (2NHNH/(CH2)3@SiO2@Fe3O4). The nanocatalyst underwent extensive physicochemical characterization using FT-IR, VSM, SEM, TEM, XRD, BET, TGA, and EDX techniques. The XRD measurement indicates that the as-synthesized nanocatalyst possesses a crystallite size of approximately 33 nm. BET analysis reveals that the catalyst exhibits a mesoporous architecture with a relatively large specific surface area of 45.20 m2 g− 1. TEM observations confirm that the catalyst was synthesized in a spherical form, with particle sizes ranging from about 10 to 35 nm. The catalytic performance of the nanocatalyst was examined in a three-component synthesis of 4 H-chromene derivatives, combining aromatic aldehydes, various phenols, and malononitrile in ethanol as a green solvent under mild conditions, producing products with very high yields and excellent amounts. The simplicity of the procedure, environmentally friendly reaction conditions, short reaction times, and straightforward product separation collectively position this approach as an attractive alternative to previously reported methods. Additionally, a disk diffusion assay was employed to assess the antimicrobial activity of selected synthesized compounds against both Gram-positive and Gram-negative bacteria, revealing that compounds 4e, 6d, and 7d inhibited bacterial growth. Furthermore, Density Functional Theory (DFT) calculations were conducted to illuminate the reaction mechanism, using the total energies of reactants and products as the basis for the analysis.
The rational development of sustainable and high-performance corrosion inhibitors for mild steel in acidic environments remains constrained by slow experimental screening, fragmented computational workflows, and limited predictive reliability. Conventional laboratory approaches typically yield empirical performance metrics with limited mechanistic resolution, while Density Functional Theory (DFT), Molecular Dynamics (MD), and Machine Learning (ML) are frequently applied as isolated tools, resulting in inconsistent datasets and weak translational relevance to industrial corrosion systems. This critical review systematically examines the design of smart corrosion inhibitors through an integrated ML–DFT–MD framework. DFT provides quantum-level insight into electronic structure and adsorption energetics, MD captures time-dependent interfacial behavior and competitive ion interactions under acidic conditions, and ML enables data-driven prediction and high-throughput screening. However, a critical analysis of recent studies reveals that most reported ML-based corrosion models remain fundamentally limited by data scarcity, non-standardized descriptor selection, insufficient physical interpretability, and poor generalization across chemically diverse inhibitor systems and operating environments. By synthesizing representative case studies and recent advances, this review identifies key methodological bottlenecks that prevent current ML–DFT–MD workflows from achieving reliable predictive capability and industrial scalability. In contrast to previous reviews that address these techniques in isolation, this work critically evaluates their integration readiness and outlines concrete requirements for physically informed, interpretable, and transferable modeling strategies. Future perspectives emphasize the need for standardized open datasets, explicit solvation and interfacial modeling, uncertainty-aware and physics-informed ML architectures, and generative design frameworks capable of coherently linking quantum chemistry, interfacial dynamics, and data-driven prediction. Overall, this review establishes a unified roadmap toward predictive, scalable, and industrially relevant corrosion inhibitor design.
Designing efficient solar cells is vital for addressing the growing global demand for clean energy. Among various approaches, donor–π–acceptor (D–π–A) systems have attracted significant attention due to their tunable optoelectronic properties. Triphenylamine–benzothiophene-based donor materials have emerged as promising candidates for organic photovoltaic devices, owing to their ability to achieve high power conversion efficiency. This design strategy overcomes key limitations such as inefficient charge transfer, poor energy level alignment, and weak molecular interactions—critical factors in enhancing the overall performance. A new series of molecules (Thy1–Thy8) incorporating triphenylamine (TPA) side chains, carbazole, and thiophene-benzothiophene-based acceptors are proposed. Thy3 is predicted to exhibit a PCE of 28
