Search Results (1,317)

The linear and third-order nonlinear optical (NLO) properties of a water-soluble perylenediimide derivative, N,N′-di(2-(trimethylammonium iodide) ethylene) perylenediimide (TAIPDI), doped with semiconductor nanoparticles (NPs), were systematically investigated under femtosecond laser excitation. ZnO and TiO₂ NPs were synthesized using a pulsed laser ablation technique. Nanocomposite systems were prepared by incorporating different concentrations of ZnO and TiO₂ NPs into the TAIPDI dye solution. The optical properties were characterized using UV–visible absorption spectroscopy together with open- and closed-aperture Z-scan measurements at 800 nm. Linear absorption measurements revealed concentration-dependent modifications in the optical band gap, indicating electronic interaction between the dye molecules and the semiconductor NPs. Open-aperture Z-scan results demonstrated strong nonlinear absorption (NLA) behavior dominated by two-photon absorption and excited-state absorption processes. Closed-aperture measurements showed a negative nonlinear refractive (NLR) index, corresponding to self-defocusing behavior. Both the NLA coefficient and the NLR index increased with increasing NP concentration, resulting in a significant enhancement of the third-order nonlinear susceptibility of the nanocomposite systems. In addition, optical limiting measurements revealed a pronounced reduction in the limiting threshold with increasing nanoparticle concentration, demonstrating improved laser attenuation capability. These findings indicate that ZnO@TAIPDI and TiO₂@TAIPDI nanocomposites are promising candidates for applications in optical limiting, all-optical switching, and advanced photonic devices. Full article

Hierarchical ZnO–SiO₂/carbon composites (C-Zn1, C-Zn2, C-Zn3) were synthesised via the carbonisation of resorcinol–formaldehyde gels in the presence of ZnO-modified fumed silica, and characterised by N₂ adsorption–desorption, FTIR, XRD, SEM, and zeta potential analysis. The composites exhibited hierarchical micro–mesoporous structures with BET surface areas of 467–499 m² g⁻¹; the non-microporous volume fraction increased from 0.09 (reference carbon RFC, 545 m² g⁻¹) to 0.54–0.63 upon ZnO–SiO₂ incorporation. Adsorption of methylene blue (MB), crystal violet (CV), and rhodamine 6G (R6G) followed the Marczewski–Jaroniec isotherm model. Maximum adsorption capacities for the best-performing composite (C-Zn1) reached 1.22 mmol g⁻¹ for MB, 1.04 mmol g⁻¹ for CV, and 0.63 mmol g⁻¹ for R6G, compared to 1.32, 1.17, and 0.67 mmol g⁻¹ for unmodified RFC. Kinetic analysis revealed up to 3.5-fold faster adsorption rates for C-Zn1 relative to RFC (for CV and R6G), attributed to enhanced diffusion through mesoporous channels while preserving the micropore-driven capacity. Agar well-diffusion assays against four bacterial strains showed no inhibition zones for any composite, indicating that no biologically active concentration of zinc species was released under the assay conditions. The proposed approach yields composites with enhanced adsorption kinetics, preserved capacity, and confirmed non-leaching character, positioning them as effective candidates for water purification. Full article

In this study, NiO/ZnO heterojunction materials were prepared by calcining metal–organic frameworks (MOFs). The structural and morphological characteristics of the NiO/ZnO composite were investigated using various characterization methods, including X-ray diffraction, X-ray photoelectron spectroscopy, and scanning electron microscopy. Gas-sensing tests showed that at the operating temperature of 190 °C, the NiO/ZnO heterojunction (with a molar ratio of 1:1) exhibited the highest response value (R_a/R_g = 201.7) and good selectivity toward 100 ppm n-propanol. Compared to pure ZnO and NiO, the response of NiO/ZnO was significantly improved (ZnO: 6, NiO: 14.6), with increases of 33.5-fold and 13.8-fold, respectively. The response and recovery times were 92 and 30 s, respectively. Additionally, to enable rapid identification of n-propanol gas concentrations, this study developed and validated a method by training and predicting response curves using a random forest algorithm, achieving identification of n-propanol gas at different concentrations (2–100 ppm) within 7 s. Finally, the enhanced sensing performance was mainly attributed to the formation of the interfacial p-n heterojunction between NiO and ZnO, together with increased surface active sites, oxygen vacancies, and chemisorbed oxygen species. Full article

In this study, we investigated how co-solvent and polymer combinations affect the performance of dye-sensitized solar cells (DSSCs) using TiO₂- and ZnO-modified carbon nanotube (CNT) composite papers as photoelectrodes. Co-solvents such as N,N-dimethylformamide (DMF) and ethylene glycol (EG) were incorporated into polyethylene glycol (PEG)- and poly(ethylene oxide) (PEO)-based gel electrolytes to increase the amount of dissolved I₂/KI redox species and evaluate their influence on the wettability of the electrolyte on CNT composite paper electrodes. PEG-based electrolytes containing DMF or EG improved the fill factor (FF) and power conversion efficiency (PCE) relative to the baseline formulation, with the EG–PEG electrolyte achieving the best single-device PCE of 15.58 × 10⁻³% using the CNT/ZnO composite paper. Replacing PEG with PEO or using PEG + PEO blends led to reduced performance, possibly because the modified polymer composition affected electrolyte wetting, spreading behavior, and penetration into the porous electrode. These results suggest that the wettability and viscosity-related behavior of gel electrolytes are important empirical factors associated with the performance of flexible paper DSSCs, and provide practical guidance for the design of paper-based photovoltaic devices. Full article

Due to the increased anthropogenic load, crops are polluted with heavy metals, including nickel (Ni). This is a serious environmental problem, as Ni penetrates barrier-free into cereal crops and accumulates in the grains used by humans and animals for food. Wheat is one of the main staple crops, cultivated in many countries. This study suggested that plant growth promoting bacteria (PGPB) with varying enzymatic activities could help wheat plants to cope with Ni stress by reducing Ni toxicity and regulating the metal’s homeostasis. PGPB Bacillus megaterium AFI1 has a strong phosphate-solubilizing activity and produces siderophores, while Paenibacillus nicotianae AFI2 has nitrogen-fixing and silicate-solubilizing activities. Both strains produce indole and polysaccharides and have 1-aminocyclopropane-1-carboxylate (ACC) deaminase activity. PGPB under Ni exposure (100 mg/kg of soil) significantly increased grain yield (by 34–42%) and decreased (by 20–33%) Ni content in wheat grains. PGPB also decreased malondialdehyde (MDA) and H₂O₂ levels in wheat plants under Ni stress. The contents of iron (Fe), boron (B), nitrogen (N) and phosphorus (P) decreased significantly and potassium (K) and zinc (Zn) oppositely increased significantly in all plant organs under Ni exposure. The inoculation with AFI1 mainly increased P and Fe, and the inoculation with AFI2 increased N and silica (Si) in wheat grains under Ni stress. In our experiments, under nickel exposure PGPB Bacillus megaterium AFI1 and Paenibacillus nicotianae AFI2 increased antioxidant protection of plants by decreasing the level of stress ethylene and regulating the homeostasis of nutrients in wheat plants. These PGPB can be considered as promising candidates for the development of biologicals to be used for growing plants in soils with low levels of nickel contamination. Full article

A series of Mg-Al LDH-based photocatalysts were synthesized via a one-pot steam-assisted method, including pure Mg-Al LDH (MA), Zn-In ion-exchange-modified Mg-Al LDH (MAZ), BiOCl-loaded pristine Mg-Al LDH (MAB), and Zn-In-modified Mg-Al LDH co-loaded with TiO₂ and BiOCl (MA/Zn-In/TiO₂/BiOCl, MAZB). The one-pot synthesis facilitated the in situ intercalation and uniform loading of BiOCl/TiO₂/Zn-In, while Zn²⁺/In³⁺ modified the MA layers via ion exchange, leading to an expansion of the interlayer spacing. The innovation of this work is reflected in two aspects: first, all raw materials are added via a one-pot strategy to achieve in situ preparation of modified hydrotalcite; second, this synthetic route features simple post-treatment without complicated washing, pressure filtration, and other tedious operations. The samples were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and N₂ adsorption–desorption isotherms. The bismuth chloride oxide/TiO₂/LDHs exhibited a layered structure, with the active components uniformly distributed between the layers and on the MA surface. Under simulated sunlight irradiation, MAZB achieved 97.5% degradation of 20 mg/L MB within 120 min, with an apparent rate constant of 0.0297 min⁻¹, which is 7.2 times, 2.4 times, and 2.9 times that of MA, MAZ, and MAB, respectively. The degradation rate of MAZB still remained at 89.5% after five cycles, demonstrating excellent stability and reusability. Compared with traditional hydrothermal methods, this steam-assisted system features mild reaction conditions (180 °C, atmospheric pressure), sodium-free raw materials, no washing requirement, and zero waste discharge, showing prominent green advantages. Full article

The Shymkent–Saryagash–Abay (A-15) international highway is a major Kazakhstan–Uzbekistan freight corridor that runs through the irrigated horticultural belt of the Turkestan Region in South Kazakhstan, where adjacent fields supply vegetables and cucurbits to the regional market. Composite soil samples (n = 18) were taken at six distances (2–300 m) from the road edge across three locations during 2022–2023, along with edible fruits of tomato, cucumber, watermelon, and melon (n = 12) from the adjoining fields. Pb, Zn, and Cd were measured via flame atomic absorption spectrometry after HNO₃/H₂O₂ digestion. Soil concentrations decreased sharply with distance (Pb: 26.3 → 5.98 mg kg⁻¹; Zn: 21.29 → 4.16; Cd: 0.47 → 0.01 mg kg⁻¹), exceeding the national soil MPCs by 1.5–3 times within 2–10 m. Pb and Zn exceeded the Kazakhstani food-safety MPCs in all four crops, and Cd in three of four (tomato, cucumber, and melon). Transfer factors followed the order of Cd (2.90–4.40) > Zn (1.99–3.00) > Pb (0.16–0.30), and the Cd geo-accumulation index ranged from 1.05 to 1.65 at 2–5 m. Adult dietary risk was acceptable (HI = 0.029–0.052; CR < 1.7 × 10⁻⁶), yet food-safety exceedances support a precautionary sanitary buffer and combined soil-and-crop monitoring along the corridor. Full article

Background/Objectives: Carbonic anhydrase I (CAI) is a zinc-dependent metalloenzyme whose inhibitor discovery requires both effective navigation of chemical space and explicit evaluation of coordination-credible binding hypotheses. We aimed to develop an interpretable and reproducible QSAR-to-structure workflow for CAI inhibitor discovery. The workflow links potency prediction with zinc-site plausibility and early developability to support decision-oriented prioritization of new CAI inhibitor candidates. Methods: CAI inhibitors were retrieved from ChEMBL (CHEMBL261) and modeled as $p{K}_i=9-{\mathrm{l}\mathrm{o}\mathrm{g}}_{10}(K_i [\mathrm{n}\mathrm{M}\left]\right)$. AlvaDesc v3.0.8 generated 4224 2D descriptors, which were reduced using train-only preprocessing, variance filtering, correlation pruning, and bagged-tree ranking to a top-100 panel. Five regressors (elastic net, CART, bagging, GB, and XGB) were benchmarked on a held-out test set. Potent ChEMBL seeds (K_i ≤ 10 nM) were used for a 90% 2D similarity PubChem expansion. Predicted hits were then externally validated using independently available PubChem CAI $K_i$ records. Ten novel candidates lacking CAI $K_i$ data were docked to CAI (PDB: 1AZM) via SwissDock AutoDock Vina in neutral and relevant anionic states, with pose selection constrained by a Zn-donor filter (Zn-N/O $\le 2.6$ Å). SwissADME was used to profile physicochemical space, alerts, and absorption/distribution proxies. Results: The bagging model showed the best test generalization ($R^2=0.646$; RMSE = 0.61; MAE = 0.45). PFI and SHAP converged on sulfur/heteroatom connectivity and polar–lipophilic organization as dominant potency drivers. PubChem expansion yielded 25,315 analogs and 233 candidates at predicted $p{K}_i\ge 8.0$; external validation on 145 CAI-measured hits gave $R^2=0.358$ (RMSE = 0.456; MAE = 0.320). Across 20 ligand/protomer docking runs, 12 produced canonical Zn-anchored poses (10 Zn-N; 2 Zn-O). SwissADME indicated consensus logP values from −0.65 to 3.21, 0/10 PAINS alerts, and predominantly favorable drug-likeness (8/10 with zero Lipinski violations), supporting tiered advancement. Conclusions: Integrating interpretable QSAR, external PubChem validation, coordination-aware docking, and SwissADME yields a practical triage framework for CAI inhibitor discovery. The resulting tiered shortlist identifies two Zn-N-anchored N-alkyl sulfamides (CIDs 103935964 and 112684680) and one Zn-O-anchored carboxylate control (CID 122367674) as highest-priority computational hypotheses for staged biochemical evaluation. Full article

This study presents the production of isoamyl, n-butyl and cyclohexyl esters of levulinic acid with an excellent yield under solvent-free conditions. The catalysts used were MgAlO and M²⁺MgAlO-mixed oxides containing the transition metals (M²⁺ = Co²⁺, Ni²⁺, Zn²⁺), obtained from calcined layered double hydroxides (LDH). They are easily accessible, low-cost, and environmentally friendly and possess the requisite acid–base properties for esterification reactions. The effect of reaction time and the molar ratio of levulinic acid to the alcohols used on the esterification reaction was investigated. The catalysts were characterized by X-ray diffraction (XRD), XRF, SEM and temperature-programmed desorption of CO₂ (TPD-CO₂). Gas chromatography–mass spectroscopy (GC/MS) was used for the identification and quantification of the product mixtures. Mixed oxides containing transition metals exhibited significantly higher activity than MgAlO. Under the selected reaction conditions, the conversion of levulinic acid and the yield of isoamyl ester reached 100% at a reagent ratio of 1:1. As a by-product of esterification, only dicyclohexyl ether was found at a reactant ratio of 1:1.5. Full article

¹O₂ has significant advantages over free radicals in Fenton-like reactions, but the induction of a single ¹O₂ reaction pathway is challenging and is often accompanied by free radical reactions and direct electron transfer pathways. In this study, Zn-O-C/N and Zn-S/O-C/N catalysts were synthesized by controlling the doping of the S element, and the single ¹O₂ reaction pathway was successfully induced. Furthermore, Zn-O-C/N performed better than the Zn-S/O-C/N system, with higher phenanthrene (PHE) degradation rates of 76.14% compared to 62.86%. And Zn-O-C/N can achieve a maximum degradation rate of 85.62% under the developed optimization condition. The characterization results revealed that the ZnO active sites are located on the surface of the Zn-O-C/N catalyst and participate in electron mediation together with C-N. ZnS was generated with the doping of S, speculating that a large amount of ZnS with low catalytic activity is generated and occupies the active sites, thereby inhibiting the catalytic activity. Additionally, only ¹O₂ was generated in the two systems, without the formation of free radicals and the occurrence of direct electron transfer reaction. However, the Zn-O-C/N catalyst has been proven to have strong stability and a low amount of dissolution, demonstrating environmental safety. This study confirmed the inhibitory effect of S on the activity of the Zn-O-C/N system and provided a synthesis strategy for the catalyst design, which can only induce the ¹O₂ reaction pathway. Full article

This study is the first to investigate volcanic ash (VA) as a soil amendment to mitigate nitrous oxide (N₂O) emissions, a potent greenhouse gas mainly produced through nitrification and denitrification processes in agricultural soils. The experiment assessed the effects of VA mixed with soil and combined with mineral (NH₄NO₃, N) or organic (poultry manure, O) fertilizer on N₂O emissions, soil mineral nitrogen (NO₃⁻ and NH₄⁺), trace metals (Zn, Cu, Mn), and crop yield in a 4-month pot experiment including treatments with and without VA. Results showed that VA reduced N₂O emissions by 55% in mineral fertilizer treatments and 71% in organic fertilizer treatments compared to soils without VA. This reduction was associated with significant changes in nitrogen availability. In mineral fertilizer treatments with VA, soil NO₃⁻ concentrations remained high, potentially limiting denitrifier activity, while in organic treatments VA appeared to inhibit nitrogen mineralization. Additionally, VA increased soil concentrations of Zn, Cu, and Mn, which were negatively correlated with N₂O emissions, suggesting an influence on microbial processes. Importantly, crop yields were not affected by VA application. Although promising, these preliminary findings highlight the need for further research to optimize application rates and evaluate long-term effects across soil types and management systems. Full article

In this study, the sintering behavior and electrical properties of 0.7Pb(Zr_0.46Ti_0.54)O₃ (PZT)–0.1Pb(Zn₁/₃Nb₂/₃)O₃ (PZN)–0.2Pb(Ni₁/₃Nb₂/₃)O₃ (PNN) piezoelectric ceramics with different Pb(Fe₂/₃W₁/₃)O₃ (PFW) doping contents were investigated to obtain a formulation that can be co-fired with silver (Ag) electrodes below 900 °C for multilayer ceramics. PFW was introduced as a sintering aid, which effectively reduced the sintering temperature of the ceramics from 1200 °C to 850 °C. The sample with x = 0.12 exhibited the largest average grain size of 1.72 μm, achieving excellent comprehensive properties with piezoelectric constant (d₃₃) = 477 pC/N, planar electromechanical coupling factor (k_p) = 0.68, dielectric loss tangent (tanδ) = 0.0154, and relative density of 98.2%. Furthermore, the feasibility of fabricating piezoelectric actuators based on this optimized composition was verified. Multilayer piezoelectric devices were prepared via screen printing combined with a carbon-based sacrificial layer method. No obvious interdiffusion was observed at the interface between the Ag internal electrodes and the ceramic matrix. The 9-layer device attained a high d₃₃ = 1470 pC/N and produced a large displacement of 5.5 μm (corresponding to a strain = 1.83%) with a voltage of 500 V. The thickness of the multilayer piezoelectric film was approximately 0.3 mm. Through this, the feasibility of manufacturing a multilayered actuator with an Ag electrode was confirmed through the composition of 0.58PZT–0.1PZN–0.2PNN–0.12PFW. Full article

With the demand for high-voltage electrical insulation systems increasing, the development of environmentally friendly anti-corona materials with reliable nonlinear electrical properties has become essential. In this work, a waterborne polyurethane/epoxy (WPU/EP) composite coating was fabricated using micron-sized SiC (α-SiC), nano-sized SiC (β-SiC), and n-ZnO as multi-scale fillers. Its microstructure, nonlinear conductivity, flashover characteristics, and electro-thermal aging performance were systematically investigated. The results indicate that the incorporation of α-SiC significantly enhances conductivity under high electric fields by forming conductive pathways, while β-SiC further improves nonlinear behavior through interfacial bridging effects. The addition of n-ZnO modifies interfacial characteristics and contributes to improved electrical response. Moreover, the flashover performance is strongly dependent on filler composition, showing a critical role of nano-fillers in charge trapping and transport regulation. Electro-thermal aging tests on simulated stator bars reveal that the developed coating exhibits improved resistance to degradation compared with conventional materials. These findings demonstrate the effectiveness of multi-scale filler design in tailoring the electrical and insulation performance of waterborne anti-corona coatings. Full article

A zinc complex of chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid) was obtained by reaction with zinc oxide under isothermal conditions. Its composition was confirmed by elemental and thermogravimetric analyses, and its molecular structure was characterized using NMR and IR spectroscopy. Single-crystal X-ray diffraction revealed that the complex crystallizes as a one-dimensional coordination polymer, [ZnChel(H₂O)₄]_n, in the triclinic space group P-1, featuring a distorted octahedral Zn(II) center coordinated by two chelidonate ligands and four water molecules. This six-coordinate arrangement contrasts with previously described tetra-coordinated Zn–chelidonate complexes. Quantum-chemical calculations and molecular dynamics simulations indicated that, in aqueous solution, Zn(II) preferentially forms a monodentate ZnChel(H₂O)₅ species, consistent with the solid-state coordination environment. The interaction of the complex with bovine serum albumin (BSA) was examined by fluorescence, UV–Vis absorption, and circular dichroism spectroscopy, revealing a mixed static–dynamic quenching mechanism, moderate binding affinity, and hydrogen-bonding/van der Waals contributions accompanied by alterations in BSA secondary structure. These results expand the structural chemistry of chelidonic acid and provide biophysical insight into the protein-binding behavior of zinc chelidonate, supporting its potential relevance as a zinc-based bioactive compound. Full article

The coexistence of emulsified oil, dissolved organics, and heavy metal ions in industrial oily wastewater makes one-step treatment highly challenging. Herein, an organic-inorganic co-modified PVDF composite membrane (MTSP) was fabricated via nonsolvent-induced phase separation, with tea polyphenols, SiO₂, and fibrous MXene synergistically incorporated. The resulting membrane exhibited a superhydrophilic/underwater oleophobic surface, with a water contact angle of 1° and an underwater oil contact angle of ~136°, owing to the optimized surface chemistry and hierarchical pore structure. As a result, the MTSP membrane effectively suppressed oil fouling while enabling rapid water transport. At 0.1 bar, the optimized membrane delivered an oil/water separation efficiency of ~99.5% and a high flux of 2420–2670 L·m⁻²·h⁻¹, while maintaining >99% separation efficiency for various emulsified oils, including kerosene, edible oil, n-hexane, and 1,2-dichloroethane. It also showed excellent recyclability and chemical stability, retaining >98–99% efficiency after five cycles and after 24 h exposure to pH 1 and pH 12 conditions. Notably, for complex simulated wastewater containing emulsified kerosene, phenol, and Fe³⁺, Cu²⁺, Zn²⁺, and Cd²⁺, the membrane maintained ~99% oil/water separation efficiency and simultaneously removed ~79% of phenol and 70–86% of heavy metal ions in a single filtration process. The superior performance is attributed to the synergistic effects of the superhydrophilic/underwater-oleophobic membrane surface, hierarchical transport channels enabling rapid water permeation, and multifunctional sites that adsorb/coordinate dissolved pollutants. This work provides a simple, scalable design strategy for PVDF-based membranes that integrate high-flux separation, antifouling performance, and multi-pollutant remediation for the treatment of complex oily wastewater. Full article