Search Results (3,565)

Background/Objectives: This study aimed to improve the biological profile of oleanolic acid (OA) through structural modification at the C-17 carboxyl group and the C-3 hydroxyl group, with a focus on the design of short-chain alkyl esters and 3-O-furoyl hybrids. Methods: Two series of OA derivatives were synthesized and characterized using spectroscopic methods, including ¹H NMR, ¹³C NMR and MS. In silico structure–activity relationship (SAR) analysis, ADMETox profiling, and molecular docking to the epidermal growth factor receptor (EGFR) tyrosine kinase domain were performed as predictive and hypothesis-generating tools. Anticancer activity was evaluated in vitro using the MTT assay against human cancer cell lines, including HeLa, MCF-7, A-549, SKBR-3, PC-3 and SKOV-3, as well as non-malignant human dermal fibroblasts (HDFs). Antioxidant properties were assessed using cell-free CUPRAC and DPPH assays. Results: The C-17 esterification markedly enhanced cytotoxic potency compared to the parent OA, while the introduction of the 3-O-furoyl moiety further improved antiproliferative activity in several derivatives. Selected compounds showed low-micromolar IC₅₀ values and moderate selectivity toward cancer cells. Molecular docking suggested favorable accommodation of selected derivatives within the EGFR ATP-binding pocket, mainly through hydrophobic and π-related interactions; however, these results do not confirm direct EGFR binding and require experimental validation. The CUPRAC and DPPH assays provided preliminary insight into chemical redox behavior but should not be directly extrapolated to intracellular antioxidant or pro-oxidant activity. Predicted ADMETox profiles indicated moderate permeability and relatively low predicted risk for selected toxicity endpoints, while also highlighting high lipophilicity, poor aqueous solubility and potential metabolic liabilities. Conclusions: Overall, the results identify several OA derivatives as promising anticancer lead compounds for further optimization and mechanistic investigation. Full article

The increasing demand for clean-label meat products has accelerated interest in natural bioactive compounds, including essential oils, plant polyphenols, and bacteriocins, as alternatives to synthetic preservatives. These compounds have the potential to enhance product safety and shelf life while meeting consumer expectations. Many natural bioactives exhibit antioxidant and antimicrobial activities, enabling them to reduce lipid oxidation and inhibit the growth of spoilage and pathogenic microorganisms in meat systems. Despite these benefits, their practical application remains limited by instability, volatility, poor solubility, and undesirable sensory effects. Encapsulation technologies have emerged as effective approaches to overcome these limitations by enhancing stability, controlling release behavior, and improving compatibility with complex meat matrices. This review synthesizes evidence from 154 studies published between 2010 and 2026 on the application of encapsulation technologies, including microencapsulation, nanoemulsions, liposomes, and cyclodextrin-based systems, for natural bioactives in meat systems. Encapsulated bioactive delivery systems are evaluated by integrating spoilage mechanisms, delivery system design, and application strategies. Encapsulation approaches are discussed in terms of structure–function relationships, release behavior, and interactions with meat components. Application strategies, including direct incorporation, edible coatings, and active packaging, are comparatively analyzed based on their functional performance in meat systems. Overall, nanoscale delivery systems are particularly effective in improving the dispersion, stability, and functional performance of hydrophobic bioactives, while controlled-release systems offer prolonged protection but often exhibit reduced predictability when translated from model systems to real meat matrices. Current challenges related to scalability, cost, regulatory constraints, sensory impact, industrial implementation, and the safe design of sustained-release antimicrobial systems are also addressed, thereby providing a framework for the rational development and implementation of effective clean-label preservation strategies in meat systems. Full article

Tea tree essential oil (TTO), extracted from Melaleuca alternifolia, is a terpene-rich botanical antimicrobial with demonstrated broad-spectrum activity against foodborne pathogens and spoilage microorganisms. Its bioactivity is principally attributed to oxygenated monoterpenes, most notably including terpinen-4-ol, γ-terpinene, and α-terpinene, whose structure–activity relationships govern interactions with microbial membranes and intracellular targets. This review provides a comprehensive, mechanistically grounded analysis of TTO as a sustainable antimicrobial platform for food preservation applications. The physicochemical determinants of TTO performance are critically assessed, encompassing chemotype-dependent compositional variability, hydrophobicity, limited aqueous solubility, and oxidative instability, with emphasis on how these properties constrain efficacy in complex food matrices. Antimicrobial mechanisms are systematically examined, including membrane permeabilization, disruption of cellular homeostasis, oxidative stress induction, and quorum-sensing interference. Focus is placed on nanostructured delivery systems, including nanoemulsions, biopolymer-based encapsulants, and hybrid nanocomposites, that improve physicochemical stability, modulate release kinetics, and potentiate antimicrobial activity. The integration of these engineered formulations into edible coatings, active packaging, and sanitation protocols across fresh produce, meat, and dairy systems is evaluated in the context of practical food safety applications. Translational limitations are addressed, including volatility, sensory incompatibility, regulatory constraints, and concentration-dependent cytotoxicity considerations. Collectively, this review positions TTO-based nanoformulations as a scientifically promising and technologically scalable approach to next-generation food preservation, while identifying critical gaps that must be resolved to support regulatory acceptance and commercial implementation. Full article

Tarragon (Artemisia dracunculus) essential oil contains bioactive phytochemicals that may interact with hepatic transporters involved in drug disposition. This study used molecular docking and interaction analysis to evaluate the binding potential of compounds identified in tarragon essential oil samples from the Romanian market toward organic anion transporters OATP1B1 and OATP1B3, using multiple cryo-EM structures representing distinct conformational states. All investigated compounds were predicted to bind within the cavities of OATP1B1 and OATP1B3, exhibiting moderate predicted binding scores ranging from –3.956 to –6.583 kcal/mol, whereas the reference ligands resolved in the experimental structures showed binding scores ranging from –7.152 to –11.212 kcal/mol. Eugenol and its oxygenated derivatives exhibited relatively higher scores, likely due to their ability to form both hydrophobic and hydrogen-bonding interactions, whereas monoterpene hydrocarbons relied mainly on hydrophobic contacts. Interaction profiling predicted for both transporters binding environments dominated by aromatic and hydrophobic residues, alongside key polar residues contributing to hydrogen bonding. Binding patterns varied across OATP1B1 conformations, indicating state-dependent ligand recognition. Overall, the results suggest that tarragon essential oil constituents may interact with OATP1B1 and OATP1B3. Experimental studies are required to confirm the functional and clinical relevance of these findings. Full article

In this study, Apocynum venetum was employed as the raw material to optimize protein extraction and enzymatic hydrolysis processes for the preparation of highly active angiotensin-converting enzyme (ACE)-inhibitory peptides, achieving an ACE inhibition rate of 92.34%. Multispectral analyses and microstructural characterization demonstrated that enzymatic hydrolysis induced the unfolding of protein secondary structures, resulting in a looser and more porous morphology enriched with characteristic amino acids. A total of 2567 peptide sequences were identified by LC–MS/MS, among which 18 potential bioactive peptides were screened. Molecular docking analysis revealed that these peptides interact with the active site of ACE primarily through hydrogen bonding and hydrophobic interactions, with WLRDFL exhibiting the strongest binding affinity. This study systematically elucidates the structural characteristics and antihypertensive molecular mechanisms of ACE-inhibitory peptides derived from Apocynum venetum, providing both theoretical insights and experimental support for the development of natural antihypertensive functional foods and the high-value utilization of this plant. Full article

Cucurbiturils (CB[n]) are rigid glycoluril-based macrocycles possessing well-defined hydrophobic cavities capable of forming stable host–guest complexes in water. Owing to these properties, CB[n]-containing supramolecular polymer gels have attracted increasing attention as functional composite materials in modern materials science. This review summarizes recent progress in the development of cucurbituril-based supramolecular gels, with particular attention to synthetic approaches, network design, and emerging applications. Both conventional acid-catalyzed methods and more sustainable synthetic strategies for cucurbituril preparation and functionalization are discussed. We further consider the role of CB[n] macrocycles as reversible crosslinking units in polymer networks and analyze how host–guest interactions influence the mechanical properties, self-healing behavior, and stimuli responsiveness of the resulting materials. Recent applications in biomedical engineering, soft electronics, and environmental remediation are also highlighted, demonstrating how molecular-level supramolecular interactions can determine the macroscopic performance of these composite systems. The review concludes with perspectives on scalable synthesis, processing integration, and future directions in supramolecular composite materials. Full article

Uncontrolled hemorrhage remains a major challenge in trauma care and surgical interventions, where rapid hemostasis and wound sealing are essential for improving patient survival. Natural polymer-based hydrogels have emerged as promising hemostatic materials owing to their excellent biocompatibility, biodegradability, and biomimetic properties. However, their clinical translation remains limited by insufficient mechanical robustness, wet adhesion, and functional responsiveness. To address these challenges, considerable progress has been achieved through rational material design and structural engineering strategies. Representative natural polymers, particularly polysaccharides and proteins, exhibit distinct physicochemical and biological characteristics that determine their hemostatic mechanisms and design strategies. Based on these material platforms, molecular modification strategies, including charge regulation, hydrophobic modification, and bioactive functionalization, have been widely employed to modulate interfacial interactions, platelet adhesion, coagulation activation, and tissue adhesion. In parallel, advanced structural architectures, such as porous, particulate, fibrous, multicrosslinked/multinetwork, and nanocomposite systems, have significantly enhanced fluid absorption, mechanical resilience, stress dissipation, and hemorrhage sealing efficiency. Beyond conventional hemostasis, increasing efforts have focused on integrating multifunctional properties, including antibacterial activity, inflammatory regulation, oxidative stress modulation, tissue regeneration, dynamic monitoring, and stimuli-responsive behaviors. This review systematically summarizes recent advances in natural polymer-based hemostatic hydrogels from the perspectives of advanced material modification strategies, structural engineering approaches, and functional integration, with particular emphasis on the relationships among material characteristics, interfacial behavior, structural organization, and hemostatic performance. Finally, current challenges and future perspectives for clinical translation are discussed, aiming to provide valuable insights for the rational design and clinical implementation of next-generation hemostatic biomaterials. Full article

Developing biodegradable and functional polymeric materials for active food packaging is essential to mitigate the environmental burden of petroleum-based plastics. In this context, gelatin/chitosan (G–Ch) nanofibrous mats were fabricated via solution blow spinning (SBS) and functionalized with snail slime (SS) and Pinus sylvestris essential oil (PSEO) to enhance their bioactivity and barrier performance. SS is rich in glycoproteins and natural bioactive compounds, while PSEO is characterized by terpene-based antimicrobial and antioxidant activities. SS and PSEO were incorporated into the G–Ch polymeric matrix to enhance the bioactivity, structural functionality and preservation performance of the nanofibrous mats. Three formulations (G–Ch, G–Ch–SS, and G–Ch–SS–10PSEO) were designed to elucidate the influence of snail slime and essential oil incorporation on the structure–property–function relationships of the nanofibrous mats. Morphological analysis revealed a smooth and bead-free fibrous structure across all formulations. The average fiber diameter (AFD) increased from 191.83 nm for G–Ch to 263.88 nm for G–Ch–SS and 295.83 nm for G–Ch–SS–10PSEO. FTIR and XRD analyses showed the physical encapsulation of the active compounds without significant chemical interactions. Furthermore, the incorporation of PSEO increased surface hydrophobicity and reduced air permeability, indicating the formation of a more compact fibrous structure with enhanced barrier properties. The functional performance of the nanofibrous mats was significantly improved by the addition of snail slime and PSEO. The G–Ch–SS–10PSEO formulation exhibited the highest antioxidant activity, reaching 36.8% for DPPH and 42.7% for ABTS, along with enhanced antibacterial efficacy against both Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). Application tests on chicken wings demonstrated that the bioactive nanofibers effectively suppressed microbial growth, limited pH increases, and reduced lipid oxidation during 14 days of refrigerated storage. Overall, the results demonstrate that the synergistic integration of snail slime and essential oil within a biodegradable polymer matrix provides a promising strategy for designing active nanofibrous materials with enhanced structural and bioactive properties for sustainable food-packaging applications. Full article

The release of microplastic fibers from synthetic textiles during domestic laundering is a major contributor to aquatic pollution. Nanomaterial-based surface treatments have recently emerged as a potential route for minimizing microfiber shedding. This study investigates the use, for the first time, of metal oxide nanoparticles (TiO₂, ZnO, MgO) functionalized with fatty acids (oleic acid (OA) and stearic acid (SA)) as microfiber-retaining agents. The nanoparticles were modified via a simple adsorption process at room temperature, monitored by zeta potential analysis, and confirmed by DSC-TG and FTIR-ATR analysis. When applied to polyester fabrics during simulated washing cycles, the hydrophobicity of the polyester surface coated with functionalized nanoparticles was assessed via contact angle measurements, and the effect on microfiber shedding was evaluated by the filtration of wastewater and by weighing the mass of fibers retained in the filters. ZnO and MgO nanoparticles treated with stearic and oleic acid demonstrated a significant reduction in fiber shedding compared to commercial laundry detergent (approximately 46–70%). In contrast, fatty acid adsorption onto TiO₂ was less efficient (reduction in microfiber release ~23%), and the TiO₂-based systems showed limited improvement in microfiber shedding, possibly due to insufficient hydrophobic interaction. These results demonstrate that fatty acid functionalization of low-cost inorganic nanoparticles is a promising strategy for mitigating microfiber pollution in laundry effluents. Full article

The persistent discharge of cationic dyes into aquatic systems necessitates advanced adsorbents with precisely tunable interfacial properties and high removal efficiency. Herein, we report for the first time the synthesis of composition-controlled sulfonated polymeric nanoparticles (NPs) based on polystyrene (PSt) and poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (PAMPS) via a surfactant-free precipitation polymerization approach. Our findings showed that the NPs exhibited well-defined composition-dependent evolution in physicochemical properties, with hydrodynamic size decreasing from 1224 to 327 nm and surface charge rising from −36.1 to −51.0 mV with increasing PAMPS content. Furthermore, adsorption performance toward methylene blue (MB) and crystal violet (CV) demonstrated strong dependence on surface charge density, with removal efficiencies of 97–98% at low initial dye concentrations (10–20 mg L⁻¹) and still above 82–87% at a higher initial concentration (100 mg L⁻¹). At low initial dye concentrations (10–20 mg L⁻¹), the most highly sulfonated nanoparticles (NP-PSt/AMPS-50) reach equilibrium capacities of approximately 9.25–971 mg g⁻¹, while at 100 mg L⁻¹, the capacities increase to about 82–86 mg g⁻¹ for both MB and CV. Notably, the adsorption capacity (q_e) increases systematically with the sulfonation degree, reflecting enhanced ion-exchange capacity and accessibility of surface-exposed –SO₃⁻ functionalities. Rapid uptake behavior is observed, with >60–70% removal achieved within 15 min and equilibrium established within 100–120 min. Importantly, the enhanced adsorption performance of NPs can be attributed to their self-organized core–shell-like architecture. Considering this structure, hydrophobic PSt-rich domains form the particle interior, while PAMPS segments are localized at particle–water interface, creating a sulfonate-enriched surface layer. This enhances active-site accessibility and electrostatic interactions with cationic dyes. The composition-dependent evolution of sulfonate functional groups, as evidenced by FTIR spectroscopy, along with the systematic decrease in hydrodynamic size and increase in zeta potential magnitude with increasing AMPS content, collectively indicate the surface localization of charged PAMPS segments. Overall, our findings provide a mechanistic framework for the rational design of charge-regulated polymeric nano adsorbents and highlight the potential of PSt/PAMPS NPs as scalable and sustainable materials for cationic dye removal in wastewater treatment systems. Full article

The rapid emergence of antimicrobial resistance has intensified the search for alternative antimicrobial scaffolds that target both planktonic bacteria and biofilm-associated infections. In this study, a series of hydroxylated phosphonium ionic liquids derived from triphenylphosphonium (TPP⁺) and trihexylphosphonium (THP⁺) cations bearing C3, C6, C7, and C10 ω-hydroxyalkyl chains were synthesized and evaluated for their antibacterial and anti-biofilm activities. Antibacterial activity was determined using broth microdilution assays against Staphylococcus aureus and Escherichia coli, while anti-biofilm activity was assessed by disrupting preformed biofilms using a 96-pin microtiter plate system and crystal violet staining. The results showed that antibacterial activity was strongly influenced by the amphiphilic balance of the compounds, particularly the alkyl chain length and the nature of the phosphonium core. Derivatives bearing C6OH–C10OH chains exhibited the highest antibacterial activity, whereas short-chain analogs displayed markedly reduced potency. THP derivatives were notably more active against E. coli bacteria, consistent with their higher hydrophobicity and activity consistent with membrane interaction. In addition, THP derivatives demonstrated greater biofilm disruption, achieving up to ~90% biomass removal in E. coli biofilms, with C6OH–C7OH derivatives showing the most favorable activity profile. Hemolysis assays indicated low erythrocyte toxicity at concentrations close to antibacterial MIC values, indicating a favorable selectivity window. Overall, these findings highlight phosphonium ionic liquids as promising antimicrobial agents with activity consistent with membrane interaction and provide structure–activity insights for the rational design of new antibacterial and anti-biofilm compounds. Full article

Cationic surfactants are widely used in disinfectants, creating a need for rapid and reliable analytical methods for their determination in complex formulations. In this study, a new hydrophobic ion-pair, 1,3-didecyl-2-methylimidazolium tetrakis(perfluorophenyl)borate (DDMIm–TPFPhB), was developed and applied as an ionophore in a potentiometric sensor. The ion-pair was incorporated into a PVC membrane and evaluated by direct potentiometric measurements and titrations. The sensor exhibited near-Nernstian responses toward selected cationic surfactants (56.8–59.1 mV per decade), low detection limits (1.4–2.2 × 10⁻⁶ M), and stable signal behavior, along with good selectivity and stability over a pH range of 3–9. Application on commercial disinfectant samples showed good agreement with a commercial ion-selective electrode. According to the charge decomposition analysis performed using density functional theory calculations, the number of electrons donated from perfluorotetraphenyl borate to 1,3-didecyl-2-methylimidazolium is 0.25 e. In contrast, the back-donation from the cation to the anion is only 0.05 e, indicating a relatively substantial overall charge transfer of 0.20 e. This pronounced charge transfer, together with dominant dispersion interactions, contributes to enhanced ion-pair stability within the membrane phase, which is reflected in reduced signal drift and improved analytical performance. These findings establish a direct link between molecular-level interactions and sensor behavior, providing a rational basis for the design of potentiometric sensors for real-sample analysis. Full article

The collectorless flotation of chalcopyrite has the potential to facilitate the efficient separation of Cu–Mo and Cu–Ni ores while reducing reagent consumption. This process relies on the natural hydrophobicity of the chalcopyrite surface, which can be adversely affected by surface oxidation. Quartz, a ubiquitous gangue mineral in chalcopyrite flotation systems, is widely present throughout flotation circuits. In this study, the effects of quartz particles of varying sizes on the surface properties and flotation behavior of chalcopyrite under different oxidation conditions were systematically investigated through micro-flotation experiments, contact angle measurements, X-ray photoelectron spectroscopy (XPS), and particle size analysis. The results indicate that hydrophilic iron (oxy)hydroxide species readily form on oxidized chalcopyrite surfaces, leading to reduced floatability. The presence of quartz particles was associated with a reduction in the abundance of surface iron (oxy)hydroxide species and an improvement in collectorless flotation performance. These findings suggest that interactions between quartz and chalcopyrite may mitigate the adverse effects of surface oxidation. They also highlight the potential of collectorless pre-flotation strategies for copper ore processing. Full article

The Zona Pellucida (ZP) and its structural analogs are evolutionarily ancient extracellular matrix components. These are essential for oocyte protection, species-specific gamete recognition, and prevention of polyspermy across Metazoa. Defined by the conserved ZP-domain—comprising ZP-N and ZP-C subdomains—these glycoproteins self-assemble into fibrillar matrices through tightly regulated polymerization. Mechanisms of the regulated polymerization involve furin cleavage, disulfide bonding, and hydrophobic interactions. Once considered a vertebrate innovation, the canonical ZP-domain— defined by its bipartite ZP-N/ZP-C architecture, eight conserved cysteine residues, and capacity for matrix polymerization—is now recognized as an ancient metazoan extracellular module, with homologs identified in basal lineages including Porifera, Cnidaria, and Placozoa. While ZP-like sequences have been reported in choanoflagellates such as Salpingoeca rosetta, these lack the complete canonical features and are considered distant structural relatives rather than true ZP-modules. There they function in cell adhesion and tissue integrity, suggesting an origin predating the evolution of specialized reproductive coats. Previous phylogenetic analyses across 97 metazoan species have revealed that vertebrate ZP genes arose from ancestral duplications of the canonical ZP-module. Accordingly, they give rise to eight subfamilies (ZP1–ZP4, ZPD, ZPAX, ZPX, ZPY), with lineage-specific expansions, losses, and pseudogenization reflecting adaptations to diverse reproductive strategies. Positive selection in sperm-binding regions of ZP2 and ZP3 drives a rapid adaptive evolution. It underscores coevolutionary arms races with sperm ligands, contributing to reproductive isolation and speciation. In invertebrates such as abalone and insects, ZP-domain proteins mediate analogous functions through lineage-specific elaborations, including tandem repeats and domain shuffling. Post-translational modifications, particularly glycosylation, fine-tune sperm receptor specificity and matrix stability. The functional transition from a general protective barrier in early metazoans to a sophisticated gamete recognition interface in vertebrates exemplifies modular evolution. This synthesis highlights the domain-level deep homology of ZP-domain proteins as a foundational element of metazoan extracellular matrices, repurposed through gene duplication, neofunctionalization, and selection to meet the demands of evolving reproductive modes. These insights bridge evolutionary biology, reproductive medicine, and developmental genetics. However, major gaps remain, including unresolved orthology between vertebrate and invertebrate ZP genes, the relative contribution of glycans versus protein backbone in sperm recognition, and the lack of functional evidence for canonical ZP-domain proteins in insects. Future studies integrating glycoproteomics, single-cell transcriptomics, and CRISPR-based models are needed to resolve these questions. Full article

Glioblastoma remains the most aggressive primary brain malignancy, with poor survival despite maximal safe resection, radiotherapy, and temozolomide-based chemotherapy. A major obstacle to effective treatment is the spatially heterogeneous blood–brain barrier/blood–tumor barrier, which restricts drug penetration into infiltrative tumor regions and limits uniform intratumoral exposure. Albumin-based delivery is attractive in glioblastoma because it addresses several formulation-level barriers at once: poor aqueous solubility of hydrophobic payloads, short systemic exposure, and the need for a biocompatible carrier that can interact with albumin-handling pathways such as gp60/albondin, SPARC, FcRn, and caveolin-associated transport. This review examines albumin-based strategies explored for glioblastoma, with an emphasis on albumin-bound paclitaxel nanoparticles, engineered albumin nanoparticles, dual-payload systems, albumin-binding photosensitizers, macrophage-assisted delivery, and albumin-bound pathway-directed agents. Preclinical evidence suggests that these platforms can improve brain-tumor drug exposure, support rational combinations, and synergize with BBB/BTB-opening technologies. Early clinical studies combining low-intensity pulsed ultrasound with microbubbles and albumin-bound paclitaxel provide human proof of concept for regional pharmacokinetic enhancement in recurrent glioblastoma, although survival benefit remains unproven. The available evidence supports albumin-based delivery as a rational formulation strategy. Its clinical value in GBM will depend on three testable requirements: spatial pharmacokinetic confirmation, biomarker-guided patient selection, and reproducible BBB/BTB modulation. Full article