Search Results (2,680)

Copper contamination in aquatic environments poses significant ecological and health risks, necessitating efficient and resilient treatment strategies. In this study, graphene oxide (GO) and magnetic graphene oxide (MGO) were synthesized and comprehensively evaluated for Cu(II) removal using an integrated multivariate approach combining kinetic and isotherm modelling, Response Surface Methodology (RSM), and advanced statistical analyses. Both adsorbents achieved high removal efficiencies (>90%) under optimized conditions, with Langmuir capacities of 59.2 mg g⁻¹ for GO and 40.1 mg g⁻¹ for MGO. Kinetic modelling confirmed reaction-controlled adsorption, while Freundlich isotherms highlighted heterogeneous surface binding. RSM identified pH as the dominant factor governing removal efficiency, with significant interactions among pH, Cu(II), and DOC reflecting competitive matrix effects. Principal Component Analysis (PCA) revealed that GO performance is strongly influenced by solution chemistry, whereas MGO exhibits reduced sensitivity due to modified physicochemical properties. FTIR analysis confirmed that adsorption proceeds primarily through electrostatic attraction and inner-sphere complexation, with Fe–O sites contributing to MGO’s enhanced affinity. Regeneration studies demonstrated superior reusability of MGO, which retained ~64% efficiency after five cycles compared to ~52% for GO. Collectively, these multivariate and mechanistic insights identify MGO as a more robust, versatile, and regenerable sorbent for Cu(II) removal under realistic water-matrix conditions. Full article

Background/Objectives: Osteoporosis is a multifactorial skeletal disorder in which chronic inflammation, dysregulated cytokine signaling, and metabolic imbalance contribute to excessive bone resorption and impaired bone formation. Asiatic acid has demonstrated bone-protective effects, but its molecular mechanisms in osteoporosis remain incompletely understood. This study aimed to investigate the anti-osteoporotic mechanisms of asiatic acid using an integrative in silico strategy. Methods: Network pharmacology analysis was performed to identify osteoporosis-related molecular targets of asiatic acid. Molecular docking was used to predict the binding modes and affinities between asiatic acid and its target proteins. Molecular dynamics simulation was used to assess the structural stability and interaction persistence of the asiatic acid–protein complex. Results: Network pharmacology identified 135 overlapping targets between asiatic acid and osteoporosis, with IL-6, STAT3, PPARG, and NFKB1 emerging as key hubs. KEGG analysis indicated the PPAR signaling pathway as a potential mechanism underlying the anti-osteoporotic effect. Molecular docking showed strong binding energies of asiatic acid with all predicted target proteins, with the highest affinity observed for IL-6, involving key residues ASN61, LEU62, GLU172, LYS66, and ARG168. Consistently, molecular dynamics simulation confirmed stable binding of asiatic acid to IL-6, with persistent interactions with ASN61, LYS66, LEU62, LEU64, and GLN154 mediated by hydrogen bonds, water bridges, and hydrophobic interactions. Conclusions: This integrative in silico study provides mechanistic insight into the potential anti-osteoporotic actions of asiatic acid, implicating IL-6 as a plausible upstream molecular target. These results establish a robust mechanistic framework for future translational studies exploring asiatic acid as a natural therapeutic candidate for osteoporosis. Full article

HDAC8 is a histone deacetylase enzyme that plays a key role in the development of various diseases in humans, including cancers, neurodegenerative diseases, and alcohol use disorder. Although HDAC8 is classified as a Zn²⁺-dependent metalloenzyme, available data regarding the affinity of other biologically relevant ions, such as Fe²⁺, Ni²⁺, Co²⁺, and Mg²⁺, for the HDAC8 enzyme active site remain unclear and contradictory. The mechanism by which these ions compete with Zn²⁺ for the HDAC8 active site is not well understood. In this study, we performed density functional theory (DFT) calculations at the B3LYP/6-31+G(d) level of theory, combined with polarizable continuum model computations (PCM) in water (ε = 78) and methanol (ε = 32). The results show that Zn²⁺ remains the thermodynamically preferred cofactor across all modeled reactions. Although Fe²⁺ and Co²⁺ gain partial stabilization upon increasing coordination number, the associated entropic and desolvation penalties prevent them from outcompeting Zn²⁺ under physiologically relevant conditions. Only a limited number of substitution reactions for Fe²⁺ and Co²⁺ yield ∆G values near thermodynamic neutrality, and only in specific coordination states. In contrast, all modeled Ni²⁺ substitution reactions are unfavorable, and Mg²⁺ is strongly excluded from the HDAC8 active site in all reactions. The resulting metal preference hierarchy—Zn²⁺ > Co²⁺ ≈ Fe²⁺ > Ni²⁺ > Mg²⁺—supports experimental observations and clarifies the intrinsic selectivity of the HDAC8 enzyme towards Zn²⁺. These insights provide a molecular basis for understanding HDAC8 metallo-regulation and may guide the rational design of novel, isoform-specific HDACi with improved binding properties. Full article

With the increasing prevalence of microplastics (MPs) and nanoplastics (NPs) in global aquatic environments, their potential ecotoxicological and health impacts have become a major concern in environmental science. Slow sand filtration (SSF) is widely recognized for its low energy demand, ecological compatibility, and operational stability; however, its efficiency in removing small or neutrally buoyant MPs remains limited. In recent years, integrating modified activated carbon (MAC) into SSF systems has emerged as a promising approach to enhance MP removal. This review comprehensively summarizes the design principles, adsorption and bio-synergistic mechanisms, influencing factors, and recent advancements in MAC-SSF systems. The results indicate that surface modification of activated carbon—through controlled pore distribution, functional group regulation, and hydrophilic–hydrophobic balance—significantly enhances the adsorption and interfacial binding of MPs. Furthermore, the coupling between MAC and biofilm facilitates a multi-mechanistic removal process involving electrostatic attraction, hydrophobic interaction, physical entrapment, and biodegradation. In addition, this review discusses the operational stability, regeneration performance, and environmental sustainability of MAC-SSF systems, emphasizing the need for future research on green and low-cost modification strategies, interfacial mechanism elucidation, microbial community regulation, and life-cycle assessment. Overall, MAC-SSF technology provides an efficient, economical, and sustainable pathway for microplastic control, offering valuable implications for a safe water supply and aquatic ecosystem protection in the future. Full article

Dimethyl sulfoxide (DMSO) is widely utilized in the vitrification of oocytes, but DMSO exhibits concentration-dependent toxicity, which can compromise oocyte developmental potential by disrupting key cellular processes. This study reports the first successful use of cold shock protein B (CspB protein) as a substitute for DMSO in vitrification solutions for oocyte vitrification. Combining dynamics simulations and experimental validation, we demonstrated CspB’s ability to inhibit ice crystallization and recrystallization by stabilizing its position at the ice–water interface and reducing ice formation rates. Recombinant CspB was successfully expressed and shown to bind to the oolemma. In vitrification solutions, CspB (1–2 mg/mL) effectively reduced ice crystal size and enabled a significant reduction or complete replacement of DMSO. This strategy markedly improved the post-thaw survival rates of both mouse and bovine metaphase II (MII) oocytes. Furthermore, oocytes vitrified with an optimized formulation (15% ethylene glycol + 2 mg/mL CspB) exhibited developmental competence (cleavage and blastocyst rates), oxidative stress markers (ROS, GSH), mitochondrial function (membrane potential and content), and apoptosis levels (Caspase-3/9) comparable to those treated with a standard DMSO-containing system. Transcriptomic analysis revealed that CspB’s cryoprotection involves the modulation of the mTOR signaling pathway. This role was functionally confirmed, as activation of mTOR abolished CspB’s beneficial effects, reinstating oxidative damage, mitochondrial dysfunction, and apoptosis. Thus, the CspB protein replaces DMSO with direct ice crystal formation suppression and mTOR-mediated oxidative stress regulation. This study offers a protein-based alternative to conventional permeable cryoprotectants. This approach holds promise for improving reproductive biotechnologies across species. Full article

Understanding how supercritical CO₂ and water interact with mineral surfaces is essential for predicting the stability and sealing performance of geological storage formations. Yet, the combined effects of mineral surface chemistry and confined pore geometry on interfacial structure and fluid dynamics remain insufficiently resolved at the molecular scale. In this study, molecular dynamics simulations were employed to quantify how methylated SiO₂, hydroxylated SiO₂, and kaolinite regulate CO₂–H₂O interfacial behavior through variations in wettability and electrostatic interactions. The results show a clear hierarchy in water affinity across the three minerals. On methylated SiO₂, the water cluster remains spherical and poorly anchored, with a contact angle of ~140°, consistent with the weakest water–surface Coulomb attractions (only −400 to −1400 kJ/mol). Hydroxylated SiO₂ significantly enhances hydration, forming a cylindrical water layer with a reduced contact angle of ~61.3° and strong surface–water electrostatic binding (~−18,000 to −20,000 kJ/mol). Kaolinite exhibits the highest hydrophilicity, where water forms a continuous bridge between the two walls and the contact angle further decreases to ~24.5°, supported by the strongest mineral–water electrostatic interactions (−23,000 to −25,000 kJ/mol). Meanwhile, CO₂–water attractions remain moderate (typically −2800 to −3500 kJ/mol) but are sufficient to influence CO₂ distribution within the confined domain. These findings collectively reveal that surface functionalization and mineral type govern interfacial morphology, fluid confinement, and electrostatic stabilization in the sequence methylated SiO₂ < hydroxylated SiO₂ < kaolinite. This molecular-level understanding provides mechanistic insight into how mineral wettability controls CO₂ trapping, fluid segregation, and pore-scale sealing behavior in subsurface carbon-storage environments. Full article

Starch and its derivatives have undergone substantial advancement in the food and beverage industry, driven by growing demand for improved functionality and health-promoting attributes. Native starches are widely used as thickeners and stabilizers; however, their applications are limited by deficiencies such as poor freeze–thaw stability. To overcome these constraints, a range of physical, chemical, and enzymatic modification techniques has been developed, yielding starches with tailored and enhanced properties. Recent innovations include polyphenol-modified starches, which improve physicochemical characteristics and confer additional health benefits, such as reduced digestibility and increased antioxidant activity—features that are particularly valuable for functional foods targeting hyperglycemia. Enzymatic modifications further enhance starch quality and processing efficiency, while chemically modified forms, such as oxidized and acetylated starches, improve emulsification and water-binding capacities in various processed foods. Starch nanoparticles have also gained attention as encapsulating agents and carriers for bioactive compounds, broadening their technological applications. In parallel, the exploration of unconventional starch sources derived from fruit-processing by-products supports sustainability efforts while introducing novel functional attributes. Collectively, these developments are contributing to the creation of healthier, more stable food products that align with consumer expectations and regulatory standards. The following sections of this article examine emerging applications of starch and its derivatives, with particular emphasis on their health benefits and sustainable production pathways. Full article

Cotinus coggygria Scop., a member of the Anacardiaceae family, is known for its antiseptic, anti-inflammatory, and antitumor properties. In the present study, the ethyl acetate/water leaf extract of C. coggygria was evaluated for antioxidant and anticancer activities. The extract exhibited strong radical-scavenging potential, effectively neutralizing DPPH, ABTS^•+, and superoxide radicals in a concentration-dependent manner. The cytotoxic effects of the extract on human hepatocellular carcinoma HepG2 cells were also investigated. Flow cytometry revealed significant S-phase cell cycle arrest, while fluorescent microscopy and annexin V-FITC/PI staining demonstrated induction of apoptosis. DNA damage was confirmed by alkaline comet assay. Molecular docking was used to evaluate the binding affinity and inhibitory potential of penta-O-galloyl-β-D-glucose, a representative of gallotannins found in C. coggygria extracts, towards cyclin-dependent kinase 2 and checkpoint kinase 1. A high inhibition ability was demonstrated, which could explain the observed cell cycle block. Collectively, these findings suggest that C. coggygria extract exerts strong antioxidant capacity and selective antiproliferative activity in HepG2 cells. The anticancer effects of C. coggygria extract were associated with DNA damage, cell cycle arrest, disruption of mitochondrial membrane potential, and apoptosis induction. The results show the potential of the herb as a natural therapeutic agent for hepatocellular carcinoma. Full article

This study investigated the effects of pH (3, 5, 7, 9, 11) on the structure–activity relationship and stability mechanism of Pickering emulsions stabilized by the gorgon euryale starch–quinoa protein complex. Analyses were performed using reverse compression test, rheology, thermal stability assessment, atomic force microscopy (AFM), and low-field nuclear magnetic resonance (LF-NMR) measurements. Reverse compression test showed that the emulsion at pH 3 exhibited the highest hardness and consistency, but the weakest cohesiveness. Rheological measurements revealed that all emulsions displayed shear-thinning behavior, the emulsion at pH 3 had the highest shear stress and apparent viscosity, while that at pH 11 showed the lowest viscosity due to the destruction of macromolecular structures. Thermal stability assessment indicated that the emulsion at pH 3 did not undergo significant stratification even at 60 °C, whereas the stability of emulsions decreased between pH 5–9. Microscopic analyses (optical microscopy, AFM, and LF-NMR) further confirmed that the emulsion at pH 3 had fine, uniform droplets, strong water-binding capacity, and an interfacial film with a “dense protrusion” structure. This study provides a basis for the environmental adaptability design of functional emulsions and contributes to the high-value utilization of gorgon euryale and quinoa resources. Full article

Water-soluble poly-β-cyclodextrins (PCDs), crosslinked with ethylenediaminetetraacetic acid dianhydride (EDTADA), were synthesized at varying β-CD:EDTADA molar ratios (1:6, 1:9, 1:12, 1:15) to develop multifunctional nanocarriers with the ability to complex drugs, polymers, and ions. All PCDs exhibited nanometric particle sizes (14 to 28 nm), negative zeta potential (−18 to −27 mV), and adjustable content of free carboxyl groups controlled by crosslinker ratio. Functional evaluations demonstrated effective Ca²⁺ chelation and a linear inclusion complexation profile with acyclovir, but not with naproxen, highlighting pH-dependent solubility effects. Additionally, PCDs successfully formed polyelectrolyte complexes with poly-L-lysine, indicating their potential as components of advanced drug delivery systems. Among the analyzed variants, PCD 1:6 showed reduced yields, fewer reactive groups, and diminished ion-binding capacity compared to formulations with higher crosslinker content. These findings underscore the importance of crosslinking density in modulating physicochemical and functional properties and support the potential of EDTA-crosslinked PCDs as versatile platforms for advanced, ion-sensitive biomedical applications. Full article

Stylosanthes scabra, a legume native to the Brazilian semiarid region, exhibits remarkable drought tolerance and represents a valuable model for studying molecular adaptation in legumes. Transcription factors of the AP2/ERF superfamily play central roles in plant development and stress response. This study aimed to identify and characterize AP2/ERF genes in Stylosanthes scabra and to analyze their transcriptional response to root dehydration. Candidate genes were identified through a Hidden Markov Model (HMM) search using the AP2 domain profile (PF00847), followed by validation of conserved domains, physicochemical characterization, prediction of subcellular localization, phylogenetic and structural analyses, and functional annotation. A total of 295 AP2/ERF proteins were identified and designated as SscAP2/ERF, most of which were predicted to be localized in the nucleus. These proteins exhibited a wide range of molecular weights and isoelectric points, reflecting structural diversity, and were classified into four subfamilies: AP2, ERF, DREB, and RAV. Functional annotation revealed predominant roles in DNA binding and transcriptional regulation, while promoter analysis identified numerous stress-related cis-elements. A total of 32 transcripts were differentially expressed under 24 h of water deficit, and four selected genes had their expression patterns validated by qPCR. These findings provide new insights into the AP2/ERF gene subfamily in Stylosanthes scabra and lay the groundwork for future biotechnological approaches to enhance stress tolerance in legumes. Full article

Coatings are often applied in the materials industry to impart hydrophobic properties to the produced materials. Commonly used coatings contain plastics as well as perfluorinated compounds, which pose challenges for environmental sustainability due to their persistence and end-of-life impacts. Coatings based on natural wax, such as rapeseed, soy, palm or beeswax, constitute a key bio-based and more sustainable alternative. These waxes exhibit high hydrophobicity while also being biodegradable, offering opportunities to replace fossil-derived coatings within circular-economy material systems. Wax coating constitutes a protective layer that undergoes biodegradation after a certain amount of time. This paper presents the results of studies concerning the development of a wax coating characterized by a coarse microstructure that increases water resistance, and an appropriate susceptibility to biodegradation. It was revealed that all the analysed coatings were susceptible to biodegradation, although their rates varied markedly depending on wax type and form. The biodegradation of palm wax in bulk form and as a thick layer was 17% and 80%, respectively, after 180 days. Palm wax exhibited a pronounced ability to bind inorganic and organic matter deposits, which reduced the degradation rate. When applied as a thin coating, palm wax did not form such a barrier. Palm wax significantly influences coating durability because its surface undergoes morphic changes induced by bio-surfactants secreted by microorganisms. These changes the adhesion of organic and inorganic matter particles, and the layer thus established limits the diffusion of oxygen, enzymes and microorganisms to the wax coating. The tests demonstrated that the addition of palm wax to wax mixtures allows the degradation rate to be controlled, and that its inhibitory effect is strongly dependent on the geometry of the material. Full article

The accurate determination of trace metals in aqueous matrices necessitates robust sample preparation techniques that enable selective preconcentration of analytes while ensuring compatibility with subsequent instrumental analysis. Dispersive solid-phase extraction (d-SPE), a suspension-based variant of conventional solid-phase extraction (SPE), facilitates rapid sorbent–analyte interactions and enhances mass transfer efficiency through direct dispersion of the sorbent in the sample solution. This approach offers significant advantages over traditional column-based SPE, including faster extraction kinetics and greater operational simplicity. When supported by appropriately engineered sorbents, d-SPE exhibits considerable potential for the selective enrichment of trace metal analytes from complex aqueous matrices. In this work, a fibrous silica-based chelating material, DSA-KCC-1, was synthesized by grafting 3,5-Di-tert-butylsalicylaldehyde (DSA) onto aminopropyl-modified KCC-1. The dendritic KCC-1 scaffold enables fast dispersion and short diffusion pathways, while the immobilized phenolate–imine ligand introduces defined binding sites for transition-metal uptake. Characterization by FTIR, TGA, BET, FESEM/TEM, XRD, and elemental analysis confirmed the successfulness of functionalization and preservation of the fibrous mesostructured. Adsorption studies demonstrated chemisorption-driven interactions for Pb(II) and Co(II) from water, with Langmuir-type monolayer uptake and pseudo-second-order kinetic behavior. The nano-adsorbent exhibited a markedly higher affinity for Pb(II) than for Co(II), with maximum adsorption capacities of 99.73 and 66.26 mg g⁻¹, respectively. Integration of the DSA-KCC-1 nanosorbent into a d-SPE–ICP-OES workflow enabled the reliable determination of trace levels of the target ions, delivering low limits of detection, wide linear calibration ranges, and stable performance over repeated extraction cycles. Analysis of NIST CRM 1643d yielded results in good agreement with the certified values, while the method demonstrated high tolerance toward common coexisting ions. The combined structural features of the KCC-1 support and the Schiff-base ligand indicate the suitability of DSA-KCC-1 for d-SPE workflows and demonstrate the potential of this SPE format for selective preconcentration of trace metal ions in aqueous matrices. Full article

Alzheimer’s disease (AD) is a progressive neurodegenerative disorder characterized by memory loss, cognitive decline, and oxidative stress-driven neuronal damage. Catalase, a key antioxidant enzyme, plays a vital role in decomposing hydrogen peroxide (H₂O₂) into water and oxygen, thereby protecting neurons from reactive oxygen species (ROS)-mediated toxicity. In AD, the catalase function is compromised due to reduced enzymatic activity and aggregation, which not only diminishes its protective role but also contributes to amyloid plaque formation through catalase-Aβ co-oligomers. Hence, therapeutic strategies aimed at simultaneously preventing catalase aggregation and enhancing its enzymatic function are of great interest. In this study, we screened twelve naturally occurring metabolites for their ability to modulate catalase aggregation and activity. Among these, dimethylglycine (DMG) emerged as the most potent candidate. DMG significantly inhibited thermally induced aggregation of catalase and markedly enhanced its enzymatic activity in a concentration-dependent manner. Biophysical analyses revealed that DMG stabilizes catalase by promoting its native folded conformation, as evidenced by increased melting temperature (T_m), higher Gibbs free energy of unfolding (ΔG°), and reduced exposure of hydrophobic residues. TEM imaging and Thioflavin T assays further confirmed that DMG prevented amyloid-like fibril formation. Molecular docking and dynamics simulations indicated that DMG binds to an allosteric site on catalase, providing a structural basis for its dual role in stabilization and activation. These findings highlight DMG as a promising therapeutic molecule for restoring catalase function and mitigating oxidative stress in AD. By maintaining catalase stability and activity, DMG offers potential for slowing AD progression. Full article

This study evaluated the protective effects of naringin (NG) against intestinal injury in 7-day-old piglets infected with porcine epidemic diarrhea virus (PEDV). Eighteen piglets (Duroc × Landrace × Large, body weight = 2.58 ± 0.05 kg) were divided into three treatment groups based on similar body weights and equal numbers of males and females: the blank control group (CON group), the PEDV infection group (PEDV group), and the NG intervention + PEDV infection group (NG + PEDV group) (n = 6 per group). The experiment lasted for 11 days, comprising a pre-feeding period from days 0 to 3 and a formal experimental period from days 4 to 10. On days 4–10 of the experiment, piglets in the NG + PEDV group were orally administered NG (10 mg/kg). On Day 8 of the experiment, piglets in the PEDV and NG + PEDV groups were inoculated with PEDV (3 mL, 10⁶ 50% tissue culture infective dose (TCID₅₀) per milliliter). On day 11 of the experiment, piglets were euthanized for sample collection. PEDV infection caused significant intestinal damage, including a decreased (p < 0.05) villus height in the duodenum and ileum and an increased (p < 0.05) crypt depth in all intestinal segments. This intestinal damage was accompanied by an impaired absorptive function, as indicated by reduced (p < 0.05) serum D-xylose. Further results showed that PEDV compromised the intestinal antioxidant capacity by decreasing (p < 0.05) glutathione peroxidase and catalase activities, and it stimulated the intestinal inflammatory response by upregulating (p < 0.05) the expression of key inflammatory genes, including regenerating family member 3 gamma (REG3G; duodenum, jejunum, colon), S100 calcium binding protein A9 (S100A9; ileum, colon), interleukin 1 beta (IL-1β; ileum, colon), and S100 calcium binding protein A8 (S100A8; colon). PEDV also suppressed the intestinal lipid metabolism pathway by downregulating (p < 0.05) the ileal expression of Solute Carrier Family 27 Member 4 (SLC27A4), Microsomal Triglyceride Transfer Protein (MTTP), Apolipoprotein A4 (APOA4), Apolipoprotein C3 (APOC3), Diacylglycerol O-Acyltransferase 1 (DGAT1), and Cytochrome P450 Family 2 Subfamily J Member 34 (CYP2J34). Moreover, PEDV suppressed the intestinal antiviral ability by downregulating (p < 0.05) interferon (IFN) signaling pathway genes, including MX dynamin like GTPase 1 (MX1) and ISG15 ubiquitin like modifier (ISG15) in the duodenum; weakened intestinal water and ion transport by downregulating (p < 0.05) aquaporin 10 (AQP10) and potassium inwardly rectifying channel subfamily J member 13 (KCNJ13) in the duodenum, aquaporin 7 (AQP7) and transient receptor potential cation channel subfamily V member 6 (TRPV6) in the ileum, and TRPV6 and transient receptor potential cation channel subfamily M member 6 (TRPM6) in the colon; and inhibited intestinal digestive and absorptive function by downregulating (p < 0.05) phosphoenolpyruvate carboxykinase 1 (PCK1) in the duodenum and sucrase-isomaltase (SI) in the ileum. Notably, NG effectively counteracted these detrimental effects. Moreover, NG activated the IFN signaling pathway in the jejunum and suppressed PEDV replication in the colon. In conclusion, NG alleviates PEDV-induced intestinal injury by enhancing the antioxidant capacity, suppressing inflammation, normalizing the expression of metabolic and transport genes, and improving the antiviral ability. Full article