Search Results (5,752)

2,5-bis(hydroxymethy)lfuran (BHMF), a renewable compound with extensive industrial applications, can be obtained by selective hydrogenation of the C=O group of 5-hydroxymethylfurfural (HMF), a platform molecule derived from lignocellulosic biomass. In this work, we perform kinetic modeling of the selective liquid-phase hydrogenation of HMF to BHMF over a Cu/SiO₂ catalyst prepared by precipitation–deposition (PD) at a constant pH. Physicochemical characterization, using different techniques, confirms that the Cu/SiO₂–PD catalyst is formed by copper metallic nanoparticles of 3–5 nm in size highly dispersed on the SiO₂ surface. Before the kinetic study, the Cu/SiO₂-PD catalyst was evaluated in three solvents: tetrahydrofuran (THF), 2-propanol (2-POH), and water. The pattern of catalytic activity and BHMF yield for the different solvents was THF > 2-POH > H₂O. In addition, selectivity to BHF was the highest in THF. Thus, THF was chosen for further kinetic study. Several experiments were carried out by varying the initial HMF concentration (C⁰_HMF) between 0.02 and 0.26 M and the hydrogen pressure (P_H2) between 200 and 1500 kPa. In all experiments, BHMF selectivity was 97–99%. By pseudo-homogeneous modeling, an apparent reaction order with respect to HFM close to 1 was estimated for a C⁰_HMF between 0.02 M and 0.065 M, while when higher than 0.065 M, the apparent reaction order changed to 0. The apparent reaction order with respect to H₂ was nearly 0 when C⁰_HMF = 0.13 M, while for C⁰_HMF = 0.04 M, it was close to 1. The reaction orders estimated suggest that HMF is strongly absorbed on the catalyst surface, and thus total active site coverage is reached when the C⁰_HMF is higher than 0.065 M. Several Langmuir–Hinshelwood–Hougen–Watson (LHHW) kinetic models were proposed, tested against experimental data, and statistically compared. The best fitting of the experimental data was obtained with an LHHW model that considered non-competitive H₂ and HMF chemisorption and strong chemisorption of reactant and product molecules on copper metallic active sites. This model predicts both the catalytic performance of Cu/SiO₂-PD and its deactivation during liquid-phase HMF hydrogenation. Full article

Soil structural instability in reservoir riparian zones, induced by water level fluctuations, threatens sustainable land use by accelerating land degradation. This study examined the impact of water-level variations on soil aggregate composition and stability based on key indicators, including water-stable aggregate content (WSAC), mean weight diameter (MWD), and geometric mean diameter (GMD). The Savinov dry sieving, Yoder wet sieving, and Le Bissonnais (LB) methods were employed for analysis. Results indicated that, with decreasing water levels and increasing soil layer, aggregates larger than 5 mm decreased, while aggregates smaller than 0.25 mm increased. Rising water levels and increasing soil layer corresponded to reductions in soil stability indicators (MWD, GMD, and WSAC), highlighting a trend toward soil structural instability. The LB method revealed the lowest aggregate stability under rapid wetting and the highest under slow wetting conditions. Correlation analysis showed that soil organic matter positively correlated with the relative mechanical breakdown index (RMI) (p < 0.05) and negatively correlated with the relative slaking index (RSI), whereas soil pH was negatively correlated with both RMI and RSI (p < 0.05). Comparative analysis of aggregate stability methods demonstrated that results from the dry sieving method closely resembled those from the SW treatment of the LB method, whereas the wet sieving method closely aligned with the FW (Fast Wetting) treatment of the LB method. The Le Bissonnais method not only reflected the outcomes of dry and wet sieving methods but also effectively distinguished the mechanisms of aggregate breakdown. The study concluded that prolonged flooding intensified aggregate dispersion, with mechanical breakdown influenced by water levels and soil layer. Dispersion and mechanical breakdown represent primary mechanisms of soil aggregate instability, further exacerbated by fluctuating water levels. By elucidating degradation mechanisms, this research provides actionable insights for preserving soil health, safeguarding water resources, and promoting sustainable agricultural in ecologically vulnerable reservoir regions of the Yangtze River Basin. Full article

Background/Objectives: Understanding the stabilization mechanisms of amino acid conformations in different solvent environments is crucial for elucidating biomolecular interactions and crystallization processes. This study presents a comprehensive computational investigation of glycine, the simplest amino acid, in both its canonical and zwitterionic forms when interacting with dimethyl sulfoxide (DMSO) molecules. Methods: Using density functional theory (DFT) calculations at the B3LYP/6-311++G(d,p) level with empirical dispersion corrections, we examined the conformational landscape of glycine–DMSO clusters with one and two DMSO molecules, as well as implicit solvent calculations, and compared them with analogous water clusters. Results: Our results demonstrate that while a single water molecule is insufficient to stabilize the zwitterionic form of glycine, one DMSO molecule successfully stabilizes this form through specific interactions between the S=O and the methyl groups of DMSO and the NH₃⁺ and the oxoanion group of zwitterionic glycine, respectively. Topological analysis of the electron density using QTAIM and NCI methods reveals the nature of these interactions. When comparing the relative stability between canonical and zwitterionic forms, we found that two DMSO molecules significantly reduce the energy gap to approximately 12 kJ mol⁻¹, suggesting that increasing DMSO coordination could potentially invert this stability. Implicit solvent calculations indicate that in pure DMSO medium, the zwitterionic form becomes more stable below 150 K, while remaining less stable at room temperature, contrasting with aqueous environments where the zwitterionic form predominates. Conclusions: These findings provide valuable insights into DMSO’s unique role in biomolecular stabilization and have implications for protein crystallization protocols where DMSO is commonly used as a co-solvent. Full article

Force-field Monte Carlo and Molecular Dynamics simulations are used to compare wetting behaviors of model carbon sheets mimicking neat graphene, its saturated derivative, graphane, and related planar allotropes penta-graphene, γ-graphyne, and ψ-graphene in contact with aqueous droplets or an aqueous film confined between parallel carbon sheets. Atomistic and area-integrated surface/water potentials are found to be essentially equivalent in capturing moderate differences between the wetting free energies of tested substrates. Despite notable differences in mechanical and electric properties of distinct allotropes, the predicted allotrope/water contact angles span a narrow window of weakly hydrophilic values. Contact angles in the range of 80 ± 10° indicate modest hydration repulsion incapable of competing with van der Waals attraction between carbon particles. Poor dispersibility in neat water is hence a common feature of studied materials. Full article

This study explores the development of a topical film-forming spray infused with phytobiotic herbs to extend egg shelf life and maintain its quality. Unlike traditional surface treatments, film-forming sprays provide uniform drug distribution, better bioavailability, effective CO₂ retention by sealing pores, and antibacterial effects. The spray includes a polymer to encapsulate phytoconstituents and form the film. The resulting film is highly water-resistant, glossy, transparent, and dries within two minutes. SEM analysis showed a fine, uniform morphology, while zeta analysis revealed a negative potential of −0.342 mV and conductivity of 0.390 mS/cm, indicating stable dispersion. The spray’s effectiveness was tested on 640 chicken eggs stored at varying temperatures. Eggs treated and kept at 2–8 °C showed the best results, with smaller air cells, higher specific gravity, and superior quality indicators such as pH, albumen weight, albumen height and index, Haugh unit, yolk weight, and yolk index. Additionally, the spray significantly reduced microbial load, including total plate count and E. coli. Eggs stored at 28 °C remained safe for 24–30 days, while those at 2–8 °C lasted over 42 days. This innovative film-forming spray offers a promising approach for preserving internal and external egg quality during storage. Full article

Mining activity in Peru generates environmental liabilities with the potential to release toxic metals into the environment. This study conducted a comprehensive physical, chemical, mineralogical, and toxicological characterization of ten active and inactive tailings samples from the Arequipa region in southern Peru. Particle size distribution analysis, inductively coupled plasma atomic emission spectroscopy (ICP-AES), scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS), and the Toxicity Characteristic Leaching Procedure (TCLP) followed by ICP-MS were employed. The results revealed variable particle size distributions, with the sample of Secocha exhibiting the finest granulometry. Chemically, 8 out of 10 samples exhibited concentrations of at least two metals surpassing the Peruvian Environmental Quality Standards (EQS) for soils with values reaching >6000 mg/kg of arsenic (Paraiso), 193.1 mg/kg of mercury (Mollehuaca), and 2309 mg/kg of zinc (Paraiso). Mineralogical analysis revealed the presence of sulfides such as arsenopyrite, cinnabar, galena, and sphalerite, along with uraninite in the Otapara sample. In the TCLP tests, 5 out of 10 samples released at least two metals exceeding the environmental standards on water quality, with concentrations up to 0.401 mg/L for mercury (Paraiso), 0.590 mg/L for lead (Paraiso), and 9.286 mg/L for zinc (Kiowa Cobre). These results demonstrate elevated levels of Potentially Toxic Elements (PTEs) in both solid and dissolved states, reflecting a critical geochemical risk in the evaluated areas. Full article

To improve the postharvest preservation of cherry tomatoes and combat pathogenic, both bacterial and fungal contamination (particularly Alternaria alternata), a novel biodegradable coating was developed based on a water-in-water (W/W) Pickering emulsion system. The emulsion was stabilized by L. plantarum (Lactobacillus plantarum), with maltodextrin (MD) as the dispersed phase and hydroxypropyl methylcellulose (HPMC) as the continuous phase. Characterization of emulsions at varying concentrations revealed that the optimized W/W-PL^8 film exhibited superior stability, smooth morphology, and low water vapor permeability (WVP = 220.437 g/(m²·24 h)), making it a promising candidate for fruit and vegetable preservation. Furthermore, the coating demonstrated strong antioxidant activity, with scavenging rates of 58.99% (ABTS) and 94.23% (DPPH), along with potent antimicrobial effects, showing inhibition rates of 12.8% against Escherichia coli and 23.7% against Staphylococcus aureus. Applied to cherry tomatoes, the W/W-PL^8 coating significantly reduced respiration rates, minimized decay incidence, and maintained nutritional quality during storage. Remarkably, the coating successfully controlled Alternaria alternata contamination, enhancing the storage duration of cherry tomatoes. These findings highlight the potential of W/W-PL^8 as an eco-friendly and functional packaging material for fresh produce preservation. Full article

The precise synthesis of non-precious metal single-atom electrocatalysts is crucial for enhancing the yield of highly active reactive oxygen species (ROSs). Conventional oxidation methods, such as Fenton or NaClO processes, suffer from poor efficiency, high energy demand, and secondary pollution. In contrast, heterogeneous electro-Fenton systems based on cascade oxygen reduction reactions (ORRs), which require low operational voltage and cause pollutant degradation through both direct electron transfer and ROS generation, have emerged as a promising alternative. Recent studies showed that carbon cathodes decorated with atomically dispersed transition metals can effectively integrate the excellent conductivity of carbon supports with the tunable surface chemistry of metal centers. However, the electronic structure of active sites intrinsically hinders the simultaneous achievement of high activity and selectivity in cascade ORRs. This review summarizes the advances, specifically from 2020 to 2025, in understanding the mechanism of cascade ORRs and the synthesis of transition metal-based single-atom catalysts in cathode electrocatalysis for efficient wastewater treatment, and discusses the key factors affecting treatment performance. While employing atomically engineered cathodes is a promising approach for energy-efficient wastewater treatment, future efforts should overcome the barriers in active site control and long-term stability of the catalysts to fully exploit their potential in addressing water pollution challenges. Full article

Wastewater generation is a growing concern in the preliminary treatment of heavy crude oil and tar sand. The separation of fine oil droplets from water by flotation is a critical process in the production of bitumen from tar sand. The flow structure from a high-resolution simulation of a single air macrobubble (>3 mm diameter) rising through water in the presence of a very dilute dispersion of mono-sized oil microdroplets (30 μm) under quiescent conditions is presented. A combined model of computational fluid dynamics (CFD), a volume of fluid (VOF) multiphase approach, and the discrete phase method (DPM) was developed to simulate bubble dynamics, the trajectories of the dispersed oil droplet, and the interaction between the air bubble and the oil droplet in quiescent water. The CFD–VOF–DPM combined model reproduced the interacting dynamics of the bubble and oil droplets in water at the bubble–droplet scale. With an extremely large diameter ratio between the bubble and the dispersed oil droplet, this model clearly demonstrated that the dominant mechanism for the interaction was the hydrodynamic capture of oil droplets in the wake of a rising air macrobubble. The entrainment of the oil droplets into the wake of the rising bubbles was strongly influenced by the bubble’s shape. Full article

With the growing severity of environmental pollution, people are paying increasing attention to their health. However, naturally occurring wood with health benefits and applications in human healthcare is still scarce. Natural wood exhibits a limited negative oxygen ion release capacity, and this release has a short duration, failing to meet practical application requirements. This study innovatively developed a humidity-responsive, healthy wood material with a high negative oxygen ion release capacity based on fast-growing poplar. Through vacuum cyclic impregnation technology, hexagonal stone powder was infused into the pores of poplar wood, endowing it with the ability to continuously release negative oxygen ions. The healthy wood demonstrated a static average negative oxygen ion release rate of 537 ions/cm³ (peaking at 617 ions/cm³) and a dynamic average release rate of 3,170 ions/cm³ (peaking at 10,590 ions/cm³). The results showed that the particle size of hexagonal stone powder in suspension was influenced by the dispersants and dispersion processes. The composite dispersion process demonstrated optimal performance when using 0.5 wt% silane coupling agent γ-(methacryloxy)propyltrimethoxysilane (KH570), achieving the smallest particle size of 8.93 μm. The healthy wood demonstrated excellent impregnation performance, with a weight gain exceeding 14.61% and a liquid absorption rate surpassing 165.18%. The optimal impregnation cycle for vacuum circulation technology was determined to be six cycles, regardless of the type of dispersant. Compared with poplar wood, the hygroscopic swelling rate of healthy wood was lower, especially in PEG-treated samples, where the tangential, radial, longitudinal, and volumetric swelling rates decreased by 70.93%, 71.67%, 69.41%, and 71.35%, respectively. Combining hexagonal stone powder with fast-growing poplar wood can effectively enhance the release of negative oxygen ions. The static average release of negative oxygen ions from healthy wood is 1.44 times that of untreated hexagonal stone powder, and the dynamic release reaches 2 to 3 times the concentration of negative oxygen ions specified by national fresh air standards. The water-responsive mechanism revealed that negative oxygen ion release surged when ambient humidity exceeded 70%. This work proposes a sustainable and effective method to prepare healthy wood with permanent negative oxygen ion release capability. It demonstrates great potential for improving indoor air quality and enhancing human health. Full article

Background/Objectives: In recent years, the discharge of antibiotics into rivers and irrigation canals has increased. However, few studies have addressed the impact of these compounds on agricultural fields that use such water to meet crop demands. Methods: In this study, the transport of two types of gentamicin (pure gentamicin and gentamicin sulfate) was modeled at concentrations of 150 and 300 μL/L, respectively, in a soil with more than 60 years of agricultural use. Infiltration tests under constant head conditions and gentamicin transport experiments were conducted in acrylic columns measuring 14 cm in length and 12.7 cm in diameter. The scaling parameters for the Richards equation were obtained from experimental data, while those for the advection–dispersion equation were estimated using inverse methods through a nonlinear optimization algorithm. In addition, a fractal-based model for saturated hydraulic conductivity was employed. Results: It was found that the dispersivity of gentamicin sulfate is 3.1 times higher than that of pure gentamicin. Based on the estimated parameters, two simulation scenarios were conducted: continuous application of gentamicin and soil flushing after antibiotic discharge. The results show that the transport velocity of gentamicin sulfate in the soil may have short-term consequences for the emergence of resistant microorganisms due to the destination of wastewater containing antibiotic residues. Conclusions: Finally, further research is needed to evaluate the impact of antibiotics on soil physical properties, as well as their effects on irrigated crops, animals that consume such water, and the soil microbiota. Full article

Plasma-activated water (PAW), enriched with reactive oxygen and nitrogen species (RONS), presents oxidative and antimicrobial characteristics with potential in cosmetic applications. This study examined the effects of two PAW formulations—nitrate-rich (PAW-N) and peroxide-rich (PAW-P)—on human hair types classified as straight (Type 1), wavy (Type 2), and coily/kinky (Type 4). The impact of PAW on hair structure and chemistry was evaluated using Fourier-transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), UV–Vis spectrophotometry, and physicochemical analyses of the liquids (pH, ORP, conductivity, and TDS). PAW-N, with high nitrate content (~500 mg/L), low pH (2.15), and elevated conductivity (6244 µS/cm), induced significant damage to porous hair types, including disulfide bond cleavage, protein oxidation, and lipid degradation, as indicated by FTIR and EDS data. SEM confirmed severe cuticle disruption. In contrast, PAW-P, containing >25 mg/L of hydrogen peroxide and exhibiting milder acidity and lower ionic strength, caused more localized and controlled oxidation with minimal morphological damage. Straight hair showed greater resistance to both treatments, while coily and wavy hair were more susceptible, particularly to PAW-N. These findings suggest that the formulation and ionic profile of PAW should be matched to hair porosity for safe oxidative treatments, supporting the use of PAW-P as a gentler alternative in hair care technologies. Full article

Background/Objectives: Early gut colonization by bifidobacteria, occurring more favorably in vaginally born infants than in those delivered via C-section, is crucial for maintaining overall health. The study investigated the health-promoting properties of Limosilactobacillus vaginalis BC17 both as viable cells and as postbiotics (i.e., cell-free supernatant and heat-killed cells), with the purpose of developing oral formulations to support intestinal health. Methods: The safety, effects on the adhesion of bifidobacteria and enteropathogens to intestinal cells, and anti-inflammatory properties of L. vaginalis BC17 viable cells and postbiotics were evaluated. Fast-disintegrating tablets were formulated by freeze-drying cell-free supernatant in combination with heat-killed or viable cells alongside maltodextrins. Results: The formulations were shown to be non-genotoxic and compatible with intestinal cell lines (Caco-2 and HT-29). BC17 viable cells survived in co-culture with intestinal cells up to 48 h and exhibited moderate adhesion to the cell lines. Notably, both BC17 viable cells and postbiotics enhanced the adhesion of beneficial bifidobacteria to Caco-2 cells by up to 250%, while reducing enteropathogens adhesion by 40–70%. Moreover, they exerted significant anti-inflammatory effects, reducing nitric oxide production in macrophages by 40–50% and protecting intestinal cells from SDS-induced damage. The formulations allowed administration of at least 10⁹ BC17 cells in infants and adults through easy and rapid dispersion in milk or water, or directly in the oral cavity without chewing, and preserved their functional properties for up to 3 months of storage. Conclusions: L. vaginalis BC17 viable cells and postbiotics, as well as fast-disintegrating tablets, showed promising functional and safety profiles. Although further in vivo validation is needed, this approach represents a compelling strategy for promoting gut health. Full article

The Korteweg–de Vries (KdV) equation is a nonlinear evolution equation that reflects a wide variety of dispersive wave occurrences with limited amplitude. It has also been used to describe a range of major physical phenomena, such as shallow water waves that interact weakly and nonlinearly, acoustic waves on a crystal lattice, lengthy internal waves in density-graded oceans, and ion acoustic waves in plasma. The KdV equation is one of the most well-known soliton models, and it provides a good platform for further research into other equations. The KdV equation has several forms. The aim of this study is to introduce and investigate a (2+1)-dimensional generalized fifth-order KdV equation with power law nonlinearity (gFKdVp). The research methodology employed is the Lie group analysis. Using the point symmetries of the gFKdVp equation, we transform this equation into several nonlinear ordinary differential equations (ODEs), which we solve by employing different strategies that include Kudryashov’s method, the $(G^{\prime }/G)$ expansion method, and the power series expansion method. To demonstrate the physical behavior of the equation, 3D, density, and 2D graphs of the obtained solutions are presented. Finally, utilizing the multiplier technique and Ibragimov’s method, we derive conserved vectors of the gFKdVp equation. These include the conservation of energy and momentum. Thus, the major conclusion of the study is that analytic solutions and conservation laws of the gFKdVp equation are determined. Full article

The discharge of oily wastewater threatens the ecosystem and human health, and the efficient treatment of oily wastewater is confronted with problems of high mass transfer resistance at the oil-water-solid multiphase interface, significant light shielding effect, and easy deactivation of photocatalysts. Although traditional physical separation methods avoid secondary pollution by chemicals and can effectively separate floating oil and dispersed oil, they are ineffective in removing emulsified oil with small particle sizes. To address these complex challenges, photocatalytic technology and photocatalysis-based improved technologies have emerged, offering significant application prospects in degrading organic pollutants in oily wastewater as an environmentally friendly oxidation technology. In this paper, the degradation mechanism, kinetic mechanism, and limitations of conventional photocatalysis technology are briefly discussed. Subsequently, the surface interface modulation functions of metal doping and heterojunction energy band engineering, along with their applications in enhancing the light absorption range and carrier separation efficiency, are reviewed. Focus on typical studies on the separation and degradation of aqueous and oily phases using photocatalytic membrane technology, and illustrate the advantages and mechanisms of photocatalysts loaded on the membranes. Finally, other new approaches and converging technologies in the field are outlined, and the challenges and prospects for the future treatment of oily wastewater are presented. Full article