Search Results (95,674)

PEEK coatings have been applied to sliding bearings in marine machinery and equipment, but their low bonding force, poor thermal conductivity and weak oleophilicity result in insufficient anti-adhesive wear performance. To solve this problem, the textured surface of the substrate was fabricated using laser texturing technology to enhance the bonding force. The PEEK coatings were reinforced by introducing oleophilic-modified nano-SiO₂ and graphene. The tribological properties of the PEEK composite coatings were studied using the ball–disc reciprocating friction wear test and Abaqus wear simulation. The results show that the texturing treatment of the substrate surface improves the bonding force of the coating. The addition of nano-SiO₂ and graphene enhances the hardness, thermal conductivity and oleophilicity of the composite coating, which shifts the wear mechanism from adhesive to abrasive. Under dry friction conditions, the composite coating containing 5 wt% SiO₂ and 1 wt% graphene exhibits a low friction coefficient and the lowest wear rate. Under oil lubrication conditions, the composite coating containing 2 wt% graphene shows the lowest friction coefficient and wear rate. In summary, under the load-bearing capacity enhancement of nano-SiO₂ and the thermal conductivity enhancement of graphene, the composite coating exhibits excellent anti-adhesive wear performance. Full article

The present study aimed to investigate the migration of potentially hazardous compounds from plastic food packaging into edible oils, bottled water and soft drinks available on the market in the Republic of Moldova. GC–MS screening was applied to identify plastic additives and unintentionally added substances (NIAS). The influence of key extraction parameters, including solvent type, extraction time, pH, alcohol content and sugar concentration, was systematically investigated. The optimized procedure demonstrated satisfactory analytical performances, with recoveries ranging from 81 to 96%, repeatability below 5% and detection limits between 0.006 and 0.01 mg/L. To allow a comprehensive assessment of total phthalate contamination, an additional analytical approach based on the hydrolysis of phthalate esters and the determination of o-phthalic acid using capillary electrophoresis with spectrophotometric detection was proposed. The method showed a linearity range of 0.1–5.0 mg/L and a limit of quantification of 0.07 mg/L. The combined chromatographic and hydrolysis-capillary electrophoresis approaches provide a reliable tool for the integrated determination and evaluation of phthalate residues in aqueous-alcoholic systems and beverages, accessible to laboratories performing food quality control. Full article

Electrocatalytic H₂O₂ production via the two-electron oxygen reduction reaction (ORR) is a highly sustainable alternative to industrial methods. To further optimize non-noble catalysts, we report an interfacial engineering strategy to stabilize the metastable P6₃/mmc-La₂O₃ phase on SrTiO₃. This symmetry evolution from the low-symmetry $\mathrm{P}\stackrel{\mathrm{-}}{3}\mathrm{m}1$ (trigonal) to the high-symmetry P6₃/mmc (hexagonal) space group yields a composite with >95% H₂O₂ selectivity. Mechanistic studies demonstrate that the symmetry-regulated interface optimizes *OOH conversion and suppresses O–O bond cleavage. This work offers a robust design principle for high-performance, noble-metal-free H₂O₂ electrosynthesis. Full article

Brazilian soils are prone to a gradual decline in fertility due to intensive agricultural activity combined with natural weathering, which increases the demand for chemical fertilizers. Among potential alternatives, soil remineralization using crushed rock is a promising strategy. Silicate agrominerals (SAs) applied as soil remineralizers have attracted attention due to their ability to supply plant-available nutrients while reducing dependence on conventional mineral fertilizers. This study evaluated the potential of residues from six quarries in Brazil as soil remineralizers as a regulatory screening assessment. Samples were subjected to mineralogical, petrological, and chemical characterization using an integrated approach, including X-ray diffraction (XRD), Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES), and leaching experiments. XRD analysis revealed that anorthite and augite were the major minerals present in the mining waste. These minerals are less resistant to weathering, which enhances the release of macro- and micronutrients, essential for the development of various crops. Chemically, the samples were dominated by SiO₂, Fe₂O₃, and Al₂O₃, with the sum of bases (K₂O + CaO + MgO) ranging from 11.92% to 16.85%, meeting Brazilian standards for use as a soil remineralizer. Leaching results revealed that pH responses varied significantly among the studied samples for the filler particles, with an alkaline shift reaching values above 9.0 after 72 h. In contrast, the powder particle size samples showed no significant variation between the different materials tested, maintaining nearly constant pH levels throughout the period. This preliminary evaluation demonstrates that mining tailings from Brazilian quarries have potential as a sustainable soil remineralizer. This approach not only offers an alternative for soil fertilization but also promotes waste management and circular economy practices, although further studies are needed to assess long-term effectiveness and safety. Full article

The study of wide-bandgap nanomaterials has gained considerable attention in recent years, especially in the case of semiconductor oxides that exhibit full or partial optical transparency in fundamental research and technological applications. These include optoelectronic devices, gas sensors and photovoltaic cells, among others. The activation or adjustment of optical and structural properties, especially the bandgap and the parameters of unit cell lattice, can be achieved by varying the dopant concentration during the synthesis of semiconductor thin films in these applications. In this context, copper oxide has emerged as a valuable material, owing to its thoroughly analyzed structural behavior and its broad potential across multiple technological fields. The present work focuses on the synthesis of zinc-doped copper oxide (Zn_xCu_1−xO) thin films on silicon and quartz substrates through ultrasonic spray pyrolysis. The effects of varying the zinc doping concentration (0.0, 5.0, 10.0 and 20.0 at. %) on the morphological, structural, and optical characteristics of the Zn_xCu_1−xO films were analyzed. Scanning electron microscopy (SEM) analysis indicated a gradual increase in nanoparticle size, rising from 221 nm for CuO to approximately 322 nm for the Zn_0.2Cu_0.8O samples as the zinc content increased. Structural characterization via X-ray diffraction (XRD) confirmed a monoclinic crystal arrangement belonging to the $C_{2h}^6$ (c2/c) space group. As the percentage of zinc increased, the XRD peaks shifted to lower angles, consequently increasing the volume and crystal lattice parameters of the Zn_xCu_1−xO structure; this finding was additionally supported by a redshift observed in the Raman analysis. The transmittance spectra of the films showed low transmittance between 40 and 44%. The optical bandgap of the Zn_xCu_1−xO thin films was estimated from the transmittance data by applying the Tauc plot method. A decrease in the band gap was observed at higher doping concentrations. It can be confirmed that no secondary phases are observed at a doping level of 20.0 at. % of zinc, indicating good solubility of zinc in CuO. The analysis and discussion of these findings are included throughout this work to elucidate the controversies noted in the literature. Full article

S. Tomé and Principe (STP) islands have been studied in recent years for their wide range of medicinal plants which exhibit several biological activities of great medicinal interest for some diseases. Experimental design for optimization of several parameters was carried out by a full-factorial test of two levels of three factors for secondary metabolite extraction from Rauvolfia caffra leaves. The best conditions for highest extraction of phenolic compounds (i.e., 89.90 μmoles gallic acid equivalent/g leaves) were obtained at 25 °C in H₂O and at 5 days of incubation. Several phytochemical assays were performed for characterization of these plant extracts, and the highest levels of TFC, DPPH and reducing power were obtained with aqueous plant extraction at 25 °C and for 5 days of incubation, whereas leaf extraction with water at 40 °C for 5 days of incubation revealed the highest levels of ABTS scavenging activity. The levels of SOD and superoxide radical scavenging activities were highest in plant extraction, with hexane at 25 and 40 °C for 5 days of incubation, respectively. The present report consists of a novel and intrinsic synchronous fluorescence and phosphorescence characterization of secondary metabolites from this plant extract. Intrinsic and non-destructive synchronous fluorescence was carried out in the range of 250 to 750 nm with a Δλ range of 5–30 nm, which exhibited several fluorescence peaks in hexane and aqueous plant extracts. On the other hand, intrinsic and non-destructive synchronous phosphorescence was also performed which also exhibited several peaks in aqueous and hexane extracts. 3D spectra of secondary metabolites confirmed the fluorescence peaks observed in SFS in plant extracts. FTIR spectroscopy was selected to investigate the structural properties of secondary metabolites in these plant extracts. Therefore, the present work describes a novel characterization of secondary metabolites by a non-destructive and intrinsic synchronous fluorescence technique for plant extracts. Full article

Zinc oxide (ZnO), silver (Ag) and titanium dioxide (TiO₂) nanoparticles (NPs), are three of the most widely manufactured NPs, while composite NPs have gained popularity due to their enhanced properties. NP release in environmental matrices increases chances of bioavailability and subsequent impact on human health. The current study focuses on manufacturing, characterization and cyto-genotoxic assessment of Ag, ZnO/Ag, TiO₂ and TiO₂/Ag NPs with and without humic acids (HAs), aiming for a holistic approach that leads to a comprehensive profile of said NPs. It entails (a) the synthesis of the aforementioned NPs via single-nozzle Flame Spray Pyrolysis (SN-FSP); (b) the characterization of NPs (in powder form and in dispersion media) using Powder X-ray Diffraction (PXRD), Transmission Electron Microscopy (TEM) and Dynamic Light Scattering (DLS); and (c) the assessment of their genotoxicity and cytotoxicity against human lymphocytes in presence of two HAs, thus simulating actual environmental conditions, and without HAs, through the cytokinesis block micronucleus assay (CBMN) with cytochalasin-B. No genotoxicity was observed in any case, whereas cytotoxicity induction varied depending on the NP and the presence or absence of the two HAs. Therefore, it is indispensable to evaluate the toxic profile of NPs considering different environmental scenarios, while conducting an integrated characterization of NPs. Full article

Owing to the increasing demand for wearable electronics, flexible energy storage devices, such as supercapacitors, have gained interest in the electronic industry. In this context, asymmetric configurations have emerged as a promising strategy for the development of wider potential window supercapacitors. On the other hand, MOF-derived synthesis of transition metal oxides is known to result in porous materials, which exhibit better electrochemical performance. In this work, a MOF-derived Fe₂O₃ coating on carbon fiber woven substrate is proposed as a negative supercapacitor electrode for asymmetric flexible devices. Moreover, the MOF calcination time was evaluated in order to ensure the best electrochemical performance possible, achieving for the sample calcined for 2 h a specific capacitance of 18.8 F/g at a current density of 200 mA/g and an excellent rate capability. In addition, not only was this promising material obtained, but an asymmetric flexible supercapacitor based on two MOF-derived TMO coatings on carbon fiber woven electrodes was manufactured and characterized as a proof of concept. This supercapacitor displayed a specific capacitance of 229 mF/cm², an energy density of 0.067 mWh/cm² and a power density of 0.11 mW/cm² at 0.15 mA/cm². Moreover, the flexible supercapacitor retained 94.1% of its capacitance even after being bent to 90°. Full article

This work presents a study of oxide-scale development on a B2 FeAl-based alloy (Fe40Al5Cr0.2TiB) during long-term isothermal oxidation at 700 °C in air, with particular emphasis on the effect of plastic processing. Oxidation tests were conducted for 300, 1000, and 2000 h. Surface morphology and chemical composition were examined using SEM/EDS, phase composition was identified by XRD, and local oxide thickness was measured by TEM. Surface topography was quantified by optical profilometry using Ra and Rz parameters. In both material states (as-cast and plastically processed), the alloy formed a continuous α-Al₂O₃-based scale. Plastic processing significantly affected oxidation kinetics, resulting in higher mass gain compared to the as-cast condition. Despite differences in mass gain, the average oxide-scale thickness after 2000 h remained in the submicrometric range (~340 nm) for both states. Surface topography analysis revealed differences in roughness and morphology associated with the material condition. The results demonstrate that plastic processing influences oxidation behavior primarily through microstructural modification, while the protective character of the alumina scale remains preserved. These findings provide data relevant to FeAl-based materials considered for high-temperature energy applications. Full article

Mid-high-frequency ultrasound (375 kHz) and anodic oxidation at low current intensity (<50 mA, NaCl as the supporting electrolyte) were employed to treat sulfonamide antibiotics (sulfamethoxazole—SMX and sulfacetamide—SAM). The sonodegradation involved HO•, while electrogenerated HClO was mainly responsible for the antibiotics’ elimination in the electrochemical process. A comparison of the processes evidenced that the degradation of SMX by ultrasound was faster due to its higher hydrophobicity. In contrast, in the electrochemical system, the SAM degradation was more efficient, which was associated with a higher reactivity of its acetamide moiety toward HClO. Interestingly, SMX was selectively sonodegraded in synthetic hospital wastewater and seawater, whereas the matrix components strongly accelerated the electrochemical degradation but affected the process performance in the hospital wastewater. On the other hand, theoretical analyses of atomic charge indicated that the central S-N bond, the N and aromatic ring in the aniline moiety, the C=C bond, and methyl groups in the isoxazole groups on SMX are the most susceptible moieties to the attacks by HO• and HClO. Furthermore, for the typical byproducts, calculations of the probability of being active against bacteria were slightly lower than that of the parent pharmaceutical, even being much lower for the byproducts from the electrochemical treatment. Full article

Hydroxylamine-modified transition-metal oxides (HA-TMOs) represent a promising class of catalysts for activating peroxymonosulfate (PMS) to degrade antibiotics. However, identifying energy-efficient operational conditions remains challenging. This study established a comprehensive dataset encompassing 600 experimental records from both in-house experiments and literature and systematically compared 12 machine learning algorithms for predicting the antibiotic degradation efficiency (%) in hydroxylamine-modified transition metal oxide/peroxymonosulfate (HA-TMO/PMS) systems. Among these models, CatBoost delivered the best generalization (test-set R² = 0.8110, RMSE = 8.92, MAE = 6.15) across repeated 80/20 stratified splits with 5-fold cross-validation, outperforming other ensembles as confirmed by cumulative distribution plots and error-metric analyses. Moreover, the permutation importance analysis identified PMS dosage, HA level, pH, initial pollutant concentration, and catalyst loading as the dominant drivers governing the pollutant removal performance. The partial-dependence plots, incorporating two-variable interactions, elucidated the response surfaces and enabled the discovery of operating windows that jointly maximize degradation efficiency and minimize electrical energy per order (EE/O). ML-guided optimization yielded optimal conditions, which were experimentally verified with sulfamethoxazole (SMZ). The HA-Co₃O₄/PMS system achieved the highest degradation rate constant (k = 0.11 min⁻¹) and the lowest EE/O value (6.84 kWh·m⁻³·order⁻¹), markedly improving kinetics and reducing energy consumption compared with non-optimized runs. This work establishes an interpretable ML framework that connects catalyst properties and reaction conditions to degradation kinetics and mechanisms, providing a practical strategy for the screening and scale-up of energy-efficient HA-TMOs/PMS-based advanced oxidation processes (AOPs). Full article

Direct electrochemical reduction of oxygen to hydrogen peroxide has garnered increasing research attention because of its mild and easy operation relative to the traditional anthra-quinone cycling route. However, currently used carbon supported noble metal electrocatalysts such as Pd and Pt in the form of single atoms or ultrafine nanoparticles greatly suffer from low reactivity and/or selectivity to hydrogen peroxide. We herein report that ultrafine ca. 1 nm Pd nanoparticles that are stabilized on a N and S co-functionalized car-bon support (Pd/NSC) display excellent reactivity and H₂O₂ selectivity toward electro-oxygen reduction reactions. Our support engineering strategy is expected to open up new opportunities to simultaneously attain high reactivity and H₂O₂ selectivity in electro-reductions of oxygen. Full article

This study addresses the multi-stage minimum control energy problem for chain-of-integrator systems, where the objective is to minimize the L²-norm of the control input over a fixed terminal time, subject to boundary conditions and a sequence of intermediate state constraints. Through rigorous variational analysis, we establish the existence and uniqueness of a global optimal solution and characterize it as a piecewise polynomial. Building on this analytical foundation, we reformulate the optimization problem into a system of linear equations, effectively bypassing the need for traditional iterative solvers. We then propose a direct construction method capable of solving this system with a linear computational complexity of O(M). Numerical experiments demonstrate the superior efficiency and robustness of the proposed method. Compared to state-of-the-art methods, our method significantly reduces the computational burden, making it highly viable for high-stake, real-time applications. Full article

In the treatment of atopic dermatitis (AD), synergistic activation of the aryl hydrocarbon receptor (AHR)/nuclear factor erythroid 2-related factor 2 (NRF2) pathways represents a promising strategy. However, known dual agonists are limited, and traditional screening methods are inefficient. Therefore, this study developed machine learning models to predict AHR/NRF2 dual agonists using molecular descriptors and fingerprints. All models achieved area under the receiver operating characteristic curve (AUC) values above 0.86, indicating good classification performance. The optimal AHR model showed an accuracy (ACC) of 0.811 and an AUC of 0.878, while the best NRF2 model yielded an ACC of 0.839 and an AUC of 0.907. Based on this model, compounds with a low fraction of sp³-hybridized carbons, moderate hydrophobicity, limited alkyl chains, and highly conjugated structures tend to act as AHR/NRF2 dual agonists. Finally, this study screened 1011 potential natural AHR/NRF2 dual agonists suitable for drug development. Among these, 2-arylbenzofurans, alkaloids, phenanthrenes, flavones, and furocoumarins demonstrated particular advantages. For validation, Indirubin, imperatorin and 3′-O-Methylbutastatin III were first discovered as AHR/NRF2 dual agonists in HaCaT cells. This work provides a robust predictive tool, clarifies key molecular features of dual agonists, and may support the discovery of anti-AD agents. Full article

This study presents a combined process of sulfide precipitation followed by hydrogen peroxide leaching for rhenium recovery from copper smelting waste acid under ambient temperature and pressure. The process first removed copper through selective sulfide precipitation, then achieved co-precipitation of rhenium and arsenic to obtain a rhenium-rich precipitate. Subsequently, exploration of rhenium-containing precipitate leaching using H₂O₂ solution was conducted under isothermal conditions at 20 °C. The effects of H₂O₂ concentration, liquid-to-solid ratio, acidity, and leaching time rhenium extraction efficiency were examined systematically. The optimal leaching conditions were determined as: H₂O₂ concentration of 150 g/L, liquid-to-solid ratio of 5:1 mL/g, stirring speed of 350 r/min, and leaching time of 30 min. Under these conditions, the leaching conversions of rhenium and arsenic reached 96.0% and 93.8%, respectively. Through characterization of precipitate and leaching residue using ICP, SEM-EDS, XRD, and XPS analyses, the process and related reactions were elucidated. Results demonstrated that low-valence rhenium oxides and sulfides serve as the main reactive species during H₂O₂ leaching, whereas organic sulfur, high-valence oxides, and copper sulfide remained stable and resistant to leaching. Selective precipitation of copper effectively eliminated insoluble metal sulfides from rhenium-containing precipitates, thereby enabling efficient separation of rhenium under mild conditions. Full article