Search Results (5,776)

The centrifuge method serves as an efficient and rapid approach for determining the soil–water characteristic curve (SWCC). However, soil shrinkage during centrifugation remains overlooked and prior modified methods may suffer from complex operations, high costs, time consumption, and limited applicability. To address these issues, this study introduces a simple correction scheme (G3) for determining drying SWCCs using the centrifuge method based on high matric suction calibration points. The performance of the proposed G3 method was systematically evaluated against a modified method considering soil shrinkage (G1) and the conventional uncorrected method (G2). Results revealed significant soil linear shrinkage post-centrifugation, accompanied by a reduction in total soil porosity and an increase in soil bulk density. SWCCs from all methods exhibited strong consistency at low matric suction ranges but diverged markedly at high matric suction segments. High matric suction data dominated the SWCC fitting. The G1 method achieved the highest fitting accuracy, while the G3 method performed the worst yet maintained acceptable reliability. The G2 method yielded optimal SWCC for simulating saturated soil water content, field capacity, and permanent wilting point. Conversely, Hydrus-1D simulations revealed superior performance of the G3 method in simulating farmland soil moisture dynamics during the dehumidification process. Values of R² across methods followed G3 > G1 > G2, while mean absolute error, mean absolute percentage error, and root mean square error exhibited the opposite trend. These findings highlight that the previous modified approaches are more suitable for low and medium matric suction ranges. The proposed correction method enhances drying SWCC performance across the full matric suction range, offering a practical refinement for the centrifuge method. This advancement could enhance the reliability in soil hydraulic characterization and contribute to a better understanding of the hydraulic–mechanical–chemical behavior in soils. Full article

Background/Objectives: Physiologically based kinetics (PBK) modelling provides (internal) exposure concentrations. We used a PBK model parameterized exclusively with in silico and in vitro data in a bottom-up approach to predict the pharmacokinetics of oxybenzone, a UV filter, present in two formulations (for which dose-normalized C_max and AUC from clinical studies were different). Methods: Skin absorption data were used to refine chemical-specific dermal absorption parameters for oxybenzone in a lotion and spray. The Transdermal Compartmental Absorption and Transit (TCAT) model in GastroPlus^® 9.9 was used to estimate vehicle and skin layer diffusion and partitioning and then used to simulate systemic exposure. The model was validated according to the OECD 331 guideline. Results: PK profiles simulated for both formulations after single and repeated applications correlated with clinical data profiles (used only to validate our approach), with a deviation from the C_max and AUC of <2-fold. Sensitivity and uncertainty analyses indicated that most input parameters had a medium to high reliability, whereas only a few parameters related to dermal delivery had a low reliability: the partition coefficient between vehicle and water for spray and the diffusion coefficient in stratum corneum for lotion. In vitro skin absorption results suggested that absorption kinetics were not statistically different between the formulations; however, parameters such as vehicle evaporation time were different. The fine-tuned TCAT model containing the absorption data suggested that the variability in clinical data might be due to other factors, e.g., the small number of subjects. Conclusions: These results demonstrate how formulation-dependent absorption kinetics improve confidence in estimated exposure, thanks to the PBK model with its bottom-up approach for nonanimal-based safety assessments. Full article

Electrical cabinet fire is a prevalent type of electrical fire. It can result in significant casualties and major damage to residential dwellings, chemical plants, or other facilities. This study proposes an investigation methodology for electrical cabinet fires. It includes evidence collection and reasoning inference, reverse deduction, and comprehensive analysis. Using a cabinet fire as a case study, macro and micro trace analyses are performed utilizing a stereomicroscope, a scanning electron microscope, and an energy-dispersive spectrometer. The typical characteristics of traces, encompassing melting marks, arc beads, and displacement, are summarized. The evidence suggests that poor electrical contact is the primary cause. A thermal–electrical–mechanical coupling model is developed to simulate poor contact on copper busbars. The results reveal that thermal stress caused by local overheating can lead to the deformation and displacement of the busbar. The calculation indicates that the temperature rise triggered by poor contact can reach 1040 °C. The maximum displacement of the busbar caused by thermal stress is 6.2 mm. Force analysis indicates that one busbar will descend under gravity and come into contact with another busbar of a different phase. The short circuit triggered by direct contact caused fire. To prevent such accidents, it is essential to verify that the specifications of bolts correspond to those of screw holes to avoid poor contact. Furthermore, insulating plates should be installed between distinct-phase busbars to prevent short circuits. Full article

Despite nationwide control efforts, central China experiences persistently high annual PM_2.5 concentrations (~50 μg/m³), which are particularly severe in January (exceeding 110 μg/m³). This study employs an integrated approach combining a Multiple Linear Regression (MLR) model derived from random forest analysis with the WRF-CMAQ chemical transport modeling system to quantitatively disentangle the driving factors of PM_2.5 concentrations in central China. Key findings reveal significant spatiotemporal heterogeneity in anthropogenic contributions, evidenced by consistently higher north–south gradients in regression residuals (reflecting emission impacts), linked to spatially varying industrial and transportation influences. Critically, the reduction in anthropogenic impacts over six years was substantially smaller in winter (January: 27 to 23 μg/m³) compared to summer (15 to −18 μg/m³, July), highlighting the profound role of emissions in driving severe January pollution events. Furthermore, WRF-CMAQ simulations demonstrated that adverse meteorological conditions in January 2020 counteracted emission controls, causing a net increase in PM_2.5 of +13 μg/m³ relative to 2016, thereby offsetting ~68% of the reductions achieved through emission abatement (−19 μg/m³). Significant regional transport, especially affecting northern and central Henan, further weakened local control efficacy. These quantitative insights into the mechanisms of PM_2.5 pollution, particularly the counteracting effects of meteorology on emission reductions in critical winter periods, provide a vital scientific foundation for designing more effective and targeted air quality management strategies in central China. Full article

Metabolic dysfunction-associated steatotic liver disease (MASLD) represents a multifactorial condition requiring multi-target therapeutic strategies beyond traditional single-marker approaches. In this work, we present a fully in silico nutraceutical screening pipeline that integrates molecular prediction, systemic aggregation, and technological design. A curated panel of ten MASLD-relevant targets, spanning nuclear receptors (FXR, PPAR-α/γ, THR-β), lipogenic and cholesterogenic enzymes (ACC1, FASN, DGAT2, HMGCR), and transport/regulatory proteins (LIPG, FABP4), was assembled from proteomic evidence. Bioactivity records were extracted from ChEMBL, structurally standardized, and converted into RDKit descriptors. Predictive modeling employed a stacked ensemble of Random Forest, XGBoost, and CatBoost with isotonic calibration, yielding robust performance (mean cross-validated ROC-AUC 0.834; independent test ROC-AUC 0.840). Calibrated probabilities were aggregated into total activity (TA) and weighted TA metrics, combined with structural clustering (six structural clusters, twelve MOA clusters) to ensure chemical diversity. We used physiologically based pharmacokinetic (PBPK) modeling to translate probabilistic profiles into minimum simulated doses (MSDs) and chrono-specific exposure (%T>IC50) for three prototype concepts: HepatoBlend (morning powder), LiverGuard Tea (evening aqueous form), and HDL-Chews (postprandial chew). Integration of physicochemical descriptors (MW, logP, TPSA) guided carrier and encapsulation choices, addressing stability and sensory constraints. The results demonstrate that a computationally integrated pipeline can rationally generate multi-target nutraceutical formulations, linking molecular predictions with systemic coverage and practical formulation specifications, and thus provides a transferable framework for MASLD and related metabolic conditions. Full article

Progressive myopia in children is a highly prevalent condition in societies worldwide and is often treated with compounded low-dose atropine sulfate (AS) eye drops without preserving agents to avoid irritation/sensitisation. Surprisingly, there is a lack of data regarding the in-use stability of contamination-free LDPE dispenser units (CFDs) for this compounded multidose product, which causes uncertainty among prescribers and patients in Europe. Thus, our aim was to compare the effect of different dispenser types on the chemical and microbial stability of unpreserved AS eye drops (0.01% w/w). A dripping simulation was performed to obtain information on microbial stability over 4 weeks through plating and separately over 12 weeks through direct inoculation, HPLC and pH analysis. For CFDs, no contamination was found after 4, 8 or 12 weeks of use when stored at 23 or 4 °C as opposed to the control. AS content remained within 0.01 ± 0.0002% w/w after 12 weeks, with higher chemical stability at 4 °C despite decreasing pH. A stress test confirmed the validity of the CFD system. In conclusion, using CFDs and refrigerated storage was found to be safe for compounded unpreserved AS eye drops over 12 weeks of use. Full article

The hydrodynamic and reaction characteristics of poly-alpha-olefin (PAO) polymerization in a continuous stirred tank reactor (CSTR) under Eulerian–Eulerian multiphase flow and a finite-rate chemical kinetics model were studied in this paper. A mathematical framework correlating 1-decene conversion with operational and structural parameters was established. Numerical simulations revealed an axial circulation flow pattern driven by combined impellers, with internal coils enhancing heat exchange and flow guidance. The gaseous catalyst, injected below the turbine impeller, achieved rapid dispersion and low gas holdup. The results demonstrated that 1-decene conversion exhibited insensitivity to impeller speed under fully turbulent mixing (mixing time <0.15% of space time), suggesting limited mass transfer benefits from further speed increases. Conversion positively correlated with temperature and space time, albeit with diminishing returns at prolonged durations. Series reactor configurations improved conversion efficiency, though incremental gains decreased with additional units. Optimal reactor design should balance conversion targets with economic factors, including energy consumption and capital investment. These findings provide critical insights into scaling PAO polymerization processes, emphasizing the interplay between reactor geometry, mixing dynamics, and reaction kinetics for industrial applications. Full article

Monocrystalline silicon, despite its widespread use as a photoelectrode material, is hindered by inherent drawbacks, such as high surface reflectivity, vulnerability to oxide passivation, and instability in aqueous electrolytes. To address these, a micropyramidal texture is fabricated on the silicon surface via wet chemical etching. A heterojunction photoanode was constructed by sequentially depositing NiSe₂ and WO₃ onto the textured silicon using chemical bath deposition, forming NiSe₂/WO₃@SiMPs. The photoanode demonstrates optimal photoelectrochemical performance at a NiSe₂ to WO₃ mass ratio of 9:1. Under simulated solar illumination (AM 1.5 G, 100 mW cm⁻²), it achieves a photocurrent of 5.62 mA cm⁻² at 1.23 V (vs. RHE), and a maximum photocurrent of 13.6 mA cm⁻² at 2.0 V (vs. RHE), markedly outperforming the individual components NiSe₂@SiMPs (8.23 mA cm⁻²) and WO₃@SiMPs (0.95 mA cm⁻²) at 2.0 V (vs. RHE). Electrochemical impedance spectroscopy (EIS) results show a markedly lower charge transfer resistance (Rct) for the NiSe₂/WO₃@SiMPs (8.16 Ω) compared to the single-phase counterparts NiSe₂@SiMPs (121.48 Ω) and WO₃@SiMPs (902.23 Ω), indicating more efficient charge separation. In addition, the photocurrent remains steady for about 10 h without significant degradation. This work presents a promising strategy for improving the photoelectrochemical water splitting efficiency of silicon-based photoelectrodes through rational heterostructure engineering. Full article

The aging of SBS-modified asphalt (SBSMA) is a kinetic process that significantly deteriorates pavement performance and shortens service life. Although previous studies have explored the evolution of SBSMA during aging, the underlying kinetic mechanisms remain unclear. In this study, SBSMA samples were subjected to varying degrees of aging to simulate the kinetic aging process. Changes in four components and chemical functional groups were characterized, supporting the construction of molecular models at different aging stages. Molecular dynamics simulations indicate that the oxidation rate of SBSMA and degradation rate of SBS molecular chains are significantly higher in the initial aging stage than later, leading to a pronounced increase in cohesive energy density and solubility parameters, along with a decrease in surface free energy, fractional free volume, and binding energies, predominantly occurring during the first aging stage. Aging also shortens intermolecular distance between asphaltene molecules while increasing the distances between asphaltene–resin and asphaltene–SBS. The adsorption competition between asphaltene and SBS for lightweight components intensifies initially, whereas asphaltene exhibits stronger adsorption in the later aging stage. Furthermore, the diffusion coefficients of asphaltene and SBS increase rapidly initially then slow, causing a corresponding rapid initial decline followed by decrease in resin, aromatic, and saturate components. Full article

Due to its high-temperature resistance, high thermal conductivity, electrical conductivity, excellent chemical stability, and outstanding mechanical and electrochemical properties, graphite has been widely applied in various fields. However, the current production process of high-purity graphite is faced with issues such as high energy consumption and insufficient reduction degree. This study utilized COMSOL Multiphysics 6.0 to couple the electromagnetic field, temperature field, velocity field, and flow field during the purification process of graphite. The dimensionless analysis method is adopted to investigate the influence of parameters such as current intensity, magnetic field frequency and concentration on the reduction degree of graphite feedstock, and the energy consumption in the furnace. Through numerical simulation, the interaction mechanism among various parameters under different parameter combinations is compared and analyzed, and the temperature change and fluid motion state of graphite feedstock during the electromagnetic induction heating process are predicted. When the current is 500 A, the average temperature inside the furnace gradually rises with the increase in the magnetic field frequency. This is because the energy input from induction coil and the energy output due to radiative heat loss gradually reach a dynamic equilibrium state. Furthermore, the average temperature inside the furnace continuously increases with the enhancement of the current, and for every increase of 50 A, the average temperature rises by approximately 200 K. Additionally, through dimensionless analysis, the optimal operating conditions for this induction furnace were determined to be a current intensity of 600 A and a magnetic field frequency of 14 kHz. Under these conditions, the reduction degree of the material reaches 99.69%, which achieves efficient purification and economical energy consumption. This study provides a theoretical basis for the optimization of operating parameters in graphite purification process, which is of great significance for improving production efficiency, reducing energy consumption, and promoting the application of high-purity graphite. Full article

The present study investigates the hypothesis that green plantain peel (GPP) could be used as a functional ingredient to enrich fermented milk, thus improving its nutritional profile and bioactive content. The objective of the present study was to develop a fermented milk product with added GPP and to evaluate its physical–chemical, technological, microbiological, and sensory characteristics, as well as the bioaccessibility of bioactive compounds after in vitro digestion (INFOGEST). The methodological strategy involved the formulation of four treatments: one control (Fermented Milk Control, FMC) and three with different concentrations of cooked plantain peel (5%—FM5, 10%—FM10, and 20%—FM20). The results demonstrated that the incorporation of peel had a significant impact on the technological properties, resulting in increased syneresis and color change. In contrast, pH and acidity were more influenced by storage duration. Lactic acid bacteria demonstrated viability at probiotic concentrations (≥10⁶ CFU/mL) for a duration of up to 11 days. The incorporation of GPP resulted in a substantial increase in the phenolic compound content and antioxidant activity of the product, with the FM20 treatment showing the highest antioxidant activity (DPPH: 1555 ± 16 µmol TE/mL, ABTS: 576 ± 29 µmol TE/mL, FRAP: 2427 ± 58 µmol Fe²⁺/mL) compared to FMC. Sensory analysis revealed that texture and color were the most influential attributes, with formulations FM5 and FM10 being the most accepted, as indicated by an acceptability index above 82%. The simulated in vitro digestion led to an increase in the measurable phenolic content and a corresponding enhancement of antioxidant activity. This suggests that the digestive process enhances the release of these compounds from the food matrix, thereby increasing their bioaccessibility. Full article

Renewable energy sources, such as photovoltaic panels and wind turbines, are increasingly integrated into domestic systems to address energy scarcity, rising demand, and climate change. However, their intermittent nature requires efficient energy storage systems (ESS) for stability and reliability. This systematic review, conducted in accordance with PRISMA guidelines, aimed to evaluate the size and chemical composition of battery energy storage systems (BESS) in household renewable energy applications. A literature search was conducted in Scopus in August 2025 using predefined keywords, and studies published in English from 2015 onward were included. Exclusion criteria included book chapters, duplicate conference proceedings, geographically restricted case studies, systems without chemistry or size details, and those focusing solely on electric vehicle batteries. Of 308 initially retrieved records, 83 met the eligibility criteria and were included in the analysis. The majority (92%) employed simulation-based approaches, while 8% reported experimental setups. No formal risk-of-bias tool was applied, but a methodological quality check was conducted. Data were synthesized narratively and tabulated by chemistry, nominal voltage, capacity, and power. Lithium-ion batteries were the most prevalent (49%), followed by lead–acid (13%), vanadium redox flow (3.6%), and nickel–metal hydride (1.2%), with the remainder unspecified. Lithium-ion dominated due to high energy density, long cycle life, and efficiency. Limitations of the evidence include reliance on simulation studies, heterogeneity in reporting, and limited experimental validation. Overall, this review provides a framework for selecting and integrating appropriately sized and composed BESS into domestic renewable systems, offering implications for stability, efficiency, and household-level sustainability. The study was funded by the PNRR NEST project and Sapienza University of Rome Grant. Full article

Large-scale production systems (LSPS) operate under growing complexity driven by digital transformation, tighter environmental regulations, and the demand for resilient and resource-efficient operation. Conventional control strategies, particularly PID and isodromic regulators, remain dominant in industrial automation due to their simplicity and robustness; however, their capability to achieve near-optimal performance is limited under constraints on control amplitude, rate, and energy consumption. This study develops an analytical–computational approach for the approximate realization of optimal nonlinear control using standard regulator architectures. The method determines switching moments analytically and incorporates practical feasibility conditions that account for nonlinearities, measurement noise, and actuator limitations. A comprehensive robustness analysis and simulation-based validation were conducted across four representative industrial scenarios—energy, chemical, logistics, and metallurgy. The results show that the proposed control strategy reduces transient duration by up to 20%, decreases overshoot by a factor of three, and lowers transient energy losses by 5–8% compared with baseline configurations, while maintaining bounded-input–bounded-output (BIBO) stability under parameter uncertainty and external disturbances. The framework provides a clear implementation pathway combining analytical tuning with observer-based derivative estimation, ensuring applicability in real industrial environments without requiring complex computational infrastructure. From a broader sustainability perspective, the proposed method contributes to the reliability, energy efficiency, and longevity of industrial systems. By reducing transient energy demand and mechanical wear, it supports sustainable production practices consistent with the following United Nations Sustainable Development Goals—SDG 7 (Affordable and Clean Energy), SDG 9 (Industry, Innovation and Infrastructure), and SDG 12 (Responsible Consumption and Production). The presented results confirm both the theoretical soundness and practical feasibility of the approach, while experimental validation on physical setups is identified as a promising direction for future research. Full article

This article presents an analysis of the causes of damage to the shaft used in a paint mixer (made of 1.0501 steel, with diameter ø = 90 mm and length l = 3451 mm). The observed damage occurred in both the shaft before regeneration and the part regenerated by surfacing. The initial analysis consisted of both macroscopic and microscopic observations of the shaft cross sections. Additionally, hardness measurements were made using the Vickers method (HV0.1). The results of microstructure observations were used as the basis for further finite element analysis (FEA). The FEA simulations made it possible to identify the places most susceptible to damage and assess the stress distribution during the shaft’s application. Based the FEA results, in order to improve the durability of the analyzed structural element, changes in the shaft geometry and the use of different chemical steel compositions are proposed. Full article

Mercury exposure has been linked to male infertility. Given that mercury chloride (HgCl₂) may promote an oxido-inflammatory milieu associated with pathophysiological derangements, it is hypothesised that Thymoquinone (TQ), an antioxidant and anti-inflammatory agent, may mitigate the gradual harmful effects of mercury exposure on rat testes, epididymis, and hypothalamus, as these organs are vital to reproductive function. To test this hypothesis, 40 rats (strain: Wistar; sex: male) were randomly assigned to five cohorts of eight rats each. After a 7-day acclimation, treatments were dispensed for 28 consecutive days accordingly: Cohort I: distilled water only, as control; Cohort II: HgCl₂ only (20 µg/mL); Cohort III: TQ only (2.5 mg/kg); Cohort IV: HgCl₂ + TQ (20 µg/mL + 2.5 mg/kg); and Cohort V: HgCl₂ + TQ (20 µg/mL + 5 mg/kg). Co-treatment with TQ preserved the body and organ weight of the HgCl₂ exposed animals. However, TQ did not reduce HgCl₂-induced dysfunction in sperm function and morphology. The serum follicle-stimulating hormone (FSH), luteinising hormone (LH), and testosterone were increased significantly (p < 0.05) by TQ co-treatment, while decreasing the prolactin level. TQ administration also increased (p < 0.05) testicular enzymes, including alkaline phosphatase (ALP), lactate dehydrogenase (LDH), acid phosphatase (ACP), and glucose-6-phosphate dehydrogenase (G6PD) activities, which HgCl₂ decreased. TQ administration increased (p < 0.05) HgCl₂-induced decreases in catalase (CAT), superoxide dismutase (SOD), glutathione peroxidase (GPx), glutathione (GSH), glutathione-s-transferase (GST), and total sulfhydryl group (TSH) levels in the testes, epididymis, and hypothalamus of experimental rats. Further, TQ reduced HgCl₂-mediated increases in RONS-reactive oxygen and nitrogen species; LPO–lipid peroxidation; PC–protein carbonyl formation; and XO–xanthine oxidase activity. Furthermore, levels of inflammatory biomarkers, including tumour necrosis factor alpha (TNF-α), nitric oxide (NO), interleukin-1 beta (IL-1β), and myeloperoxidase (MPO), were decreased (p < 0.05) in the co-treated groups, with a higher dose of TQ (5.0 mg/kg) showing a more pronounced protective effect. Additionally, TQ co-administration increased Bax and decreased Bcl-2 and p53 protein levels (p < 0.05), thereby protecting the rats’ testes, epididymis, and hypothalamus from HgCl₂-induced apoptosis. Molecular docking simulation analysis revealed TQ interaction dynamics with PPAR-α and PPAR-δ to suppress NF-kB-mediated pro-inflammatory sequela as well as activate Nrf-2-mediated antioxidant defence system. These predicted biological effects of TQ resonate with the findings from the in vivo studies. Therefore, supplementation with TQ may help reduce chemical-induced toxicities, including HgCl₂‘s reproductive toxicity. Full article