Search Results (10,531)

The crosslinked binders formed by using glycidyl azide polymer (GAP) as the binder matrix and bis-propargyl succinate (BPS) as the curing agent have good application prospects in the field of solid propellants. Aiming at the shortcomings of traditional experimental research, such as high cost, and molecular dynamics (MD) simulation, which are time-consuming for complex combination problems, this study will realize accurate prediction of the mechanical properties of binders through machine learning (ML) based on the molecular simulation dataset. Firstly, 273 sets of GAP-BPS binder models under different conditions were formed based on 21 crosslinking degrees and 13 temperatures, and MD simulation and mechanical property simulation were carried out. Then, the initial conditions of molecular simulation (crosslinking degree, temperature) and structural parameters (free volume) were taken as features, and the bulk modulus and shear modulus were taken as labels to form the dataset. Three machine learning models were trained and evaluated based on this dataset to test their prediction performance. Based on the cross-validation results, the Tabular Prior Data Fitting Network (TabPFN) exhibits the highest average prediction values (the average R² for bulk modulus and shear modulus were 0.9684 and 0.8827, respectively). But the significance analysis reveals that TabPFN significantly outperforms the RF model only in predicting bulk modulus. In subsequent prediction tasks with smaller datasets, TabPFN achieves superior average prediction values compared with RF and XGBoost. Full article

Staphylococcus aureus remains to be one of the leading causes of global mortality. The most common class of antibiotics used to treat S. aureus infections are next-generation β-lactams (NGBs), as they are highly efficacious and have low adverse effects. NGB resistance in S. aureus is classically attributed to penicillin-binding protein-2a (PBP2a), but previous studies from our group have also implicated an altered expression of penicillin-binding protein-4 (PBP4) with NGB resistance. PBP4 is the sole low-molecular-mass (LMM) PBP present in S. aureus; it is also the only known LMM PBP with transpeptidase activity, giving it the unique ability to bring about peptidoglycan cross-linking. In this article, we review some of the recent findings from our group, which reveal that mutations associated with PBP4 lead to altered protein expression and NGB resistance in both methicillin-susceptible S. aureus (MSSA) and methicillin-resistant S. aureus (MRSA) backgrounds. We discuss the clinical relevance of PBP4-associated mutations, particularly in methicillin-resistant lacking mec (MRLM) isolates, as well as the synergistic effect of altered PBP4 and GdpP functions. Finally, this review summarizes the potential role played by PBP4 in S. aureus virulence. Together, we highlight the increasing relevance of PBP4 as a mediator of NGB resistance and discuss its potential as an important factor during infection diagnosis and therapy. Full article

Coal gangue (CG) ranks among China’s most significant industrial solid by-products. In response to China’s carbon neutrality commitments and the growing emphasis on resource recycling, finding effective ways to valorize CG has emerged as a pressing concern. Based on the mineral composition and chemical composition characteristics of CG, this study systematically investigated the enhancement effects of three alkali activators (Na₂SiO₃, NaOH, and Ca(OH)₂) on the cementitious properties of CG. Through different dosage and compressive strength tests, the efficiency ranking of the three activators was determined as follows: Na₂SiO₃ > Ca(OH)₂ > NaOH. A 10% Na₂SiO₃ dosage combined with 28-day curing was identified as the optimal condition for achieving sufficient reaction and structural densification. Under these conditions, the compressive strength of CG cementitious material reached 6.4 MPa, representing an increase of 190.9% compared to the blank group (2.2 MPa), significantly superior to Ca(OH)₂ (69.55%) and NaOH (62.27%). X-ray diffraction (XRD) and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) analyses revealed that alkali activators function primarily by disrupting the crystalline framework of CG, promoting the cross-linking polymerization of silicon–aluminum monomers to generate dense cementitious products, thereby improving material performance. The Na₂SiO₃ is attributed to its “dual activation effect”, providing OH⁻ to create an alkaline environment while supplying reactive silicate ions (SiO₃²⁻) to accelerate N-A-S-H gel and C-A-S-H gel formation. These findings offer guidance for optimizing CG-based cementitious formulations for formula optimization and large-scale utilization of CG cementitious materials. Full article

Hydrophilic colloids are ideal materials for preparing edible films; however, their intrinsic hydrophilicity leads to poor hydrophobicity in the resulting films. Emulsion-based films can significantly improve the hydrophobicity of films made from hydrophilic colloids, but this approach tends to disrupt intermolecular interactions within the film matrix. Phenolic compounds can compensate for this drawback by promoting crosslinking among film-forming polymers. In this study, hemp seed protein was used as the film-forming matrix, and rose essential oil was incorporated to prepare emulsion-based films. Different amounts of propolis flavonoids were added to investigate their effects on the physicochemical properties of the films. The results show that the addition of propolis flavonoids significantly reduced film whiteness (9%–45%), thickness (6%–37%), light transmittance (9%–60%), water vapor transmission rate (34%–65%), and peroxide value (25%–76%) of oil, while increasing tensile strength (15%–149%), elongation at break (24%–95%), Young’s modulus (26%–140%), surface hydrophobicity, thermal stability, and antioxidant and antimicrobial activities. Furthermore, pork wrapped with flavonoid-containing films exhibited inhibition of microbial growth, lipid oxidation, protein degradation, and maintained firmness. Therefore, propolis flavonoids represent a potential active ingredient for improving the physicochemical properties and preservative performance of emulsion-based films. Full article

Background/Objectives: Skin cancers belong to the most frequent cancer type with over a million cases per year. Presently, transdermal drug delivery systems (TDDS) are an attractive drug delivery route, but they still face some limitations due to the resistance of human skin. Methods: Here, Sonidegib, PEDOT:PSS, and gelatins were employed as the model drug, drug carrier, and drug matrix, respectively. Results: Gelatin hydrogels were fabricated via the physical crosslinking to avoid toxicity towards the human skin. PEDOT:PSS was synthesized by chemical oxidative polymerization as the drug carrier. Sonidegib first interacted with PEDOT:PSS before they were embedded into the gelatin hydrogels. In the release and release-permeation experiments, the amounts of Sonidegib released and permeated were investigated under the effects of gelatin types, concentrations, pH values, PEDOT:PSS, and electrical voltages. For the effect of gelatin types, the BG gelatin provided higher amounts of Sonidegib release than PG from the higher electrorepulsive force. Under applied electrical voltages and with PEDOT:PSS present, the amounts of Sonidegib release and release-permeation amounts increased as PEDOT:PSS assisted in providing higher electroosmosis and electrorepulsive forces. Conclusions: In summary, PEDOT:PSS in the BG hydrogel is demonstrated here as a potential drug carrier to improve the Sonidegib release and release-permeation iontophoretically for TDDS. Full article

The development of high-performance flame-retardant (FR) polypropylene (PP) with high mechanical integrity remains a challenge. Herein, we demonstrate a synergistic flame retardancy system for PP achieved via partial substitution of piperazine pyrophosphate (PAPP) with 1 wt.% magnesium borate whiskers (MBW) for improved flame retardancy, and thermal and mechanical properties. The optimized PP/24PAPP/1MBW exhibits exceptional FR performance, driven by the formation of a highly ordered, continuous phosphorus–boron hybrid char in the condensed phase. Cone calorimetry test results reveal an 80% reduction in peak heat release rate, a 54% reduction in total heat release, and a 33% reduction in total smoke production compared to neat PP, while the UL-94 test confirms a V-0 rating with complete suppression of flaming drips. Morphological study of the char residue using Raman spectroscopy and SEM attributes this performance to enhanced char graphitization and structural coherence enabled by boron-mediated cross-linking. More importantly, this transformative flame retardancy performance is achieved without severe compromise to mechanical properties, retaining over 89% of the original tensile strength. This work confirms the PAPP/MBW system as a highly efficient, low-additive approach to creating advanced fire-safe polymer composites for engineering applications. Full article

This study systematically compared the induction and resuscitation characteristics of the viable but non-culturable (VBNC) state in Klebsiella pneumoniae FY170-1 following sublethal exposure to sodium hypochlorite (NaClO) or glutaraldehyde (GA). Treatment with 30 mg/L NaClO or 60 mg/L GA for 60 min reduced culturability to below the detection limit (<1 CFU/mL). However, CTC staining showed that 50.80% and 63.44% of cells, respectively, retained respiratory activity, while SYTO 9/PI staining indicated that membrane integrity was largely preserved, consistent with induction of the VBNC state. Scanning electron microscopy revealed distinct morphological alterations in the two groups. NaClO-induced VBNC cells showed surface depressions and wrinkling, consistent with oxidative damage, whereas GA-induced cells exhibited filamentous and net-like surface structures, consistent with aldehyde-mediated cross-linking. Among the tested additives, sodium succinate showed the strongest resuscitation-promoting effect under the experimental conditions, with OD600 increasing after approximately 2 h of incubation. Post-resuscitation analysis further revealed marked differences between the two VBNC states. In resuscitated NaClO-induced VBNC cells, ATP partially recovered, but reactive oxygen species remained elevated and catalase activity showed little recovery. In contrast, resuscitated GA-induced VBNC cells exhibited lower ATP recovery but more rapid normalization of ROS and better recovery of oxidative stress-related parameters. Total protein analysis and SDS-PAGE further supported distinct patterns of protein-level alteration between the two treatments. Overall, these findings suggest that NaClO and GA induce phenotypically distinct VBNC states in K. pneumoniae, with different recovery behaviors and stress response profiles. Sodium succinate was identified as the most effective recovery-promoting additive under the tested conditions. These results highlight the risk of underestimating bacterial survival when culturability is used as the sole indicator of disinfection efficacy and support the need for more comprehensive viability assessment. Full article

In this work, sodium alginate (NaAlg) membranes were enhanced with synthesized zinc oxide (ZnO) nanoplates to enable efficient pervaporation dehydration of isopropyl alcohol (IPA). A comprehensive suite of characterisation techniques—scanning electron (SEM) and atomic force (AFM) microscopy, Fourier-transform infrared (FTIR) spectroscopy, nuclear magnetic resonance (NMR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), contact angle and liquid uptake measurements—along with density functional theory (DFT) calculations, was employed to establish robust structure–property relationships and to elucidate filler–polymer interactions. Membranes with different ZnO contents were prepared, and membranes based on the optimal NaAlg-ZnO(5%) composite were cross-linked with CaCl₂ to improve stability in aqueous solutions, and supported membranes were developed for prospective applications by applying this composite onto the prepared porous cellulose acetate (CA) substrate. This developed cross-linked supported NaAlg-ZnO(5%)/CA membrane had a permeation flux increased by 2 times or more compared to a dense NaAlg membrane during dehydration of IPA (12–30 wt.% water) with a permeate water content above 99 wt.%. The integrated experimental–theoretical approach provides mechanistic insight into ZnO–NaAlg interactions and demonstrates the strong potential of these mixed matrix membranes for high-efficiency alcohol dehydration, offering a rational design paradigm for next-generation pervaporation membranes. Full article

To address inherent limitations of chitosan-based edible films, including inadequate mechanical strength and poor moisture resistance, cellulose nanofibers (CNF) were employed as a synergistic film-forming component to partially substitute chitosan in the fabrication of ternary composite films (denoted as CSTF-CNFs). This approach was based on a previously developed chitosan matrix modified with tannin-Fe³⁺ nanoparticles (TF). It was hypothesized that CNF could function as a reinforcing scaffold to improve the dispersion of TF within the film matrix and, through hydrogen bonding and physical entanglement, form an interpenetrating fiber network with chitosan, thereby enhancing the structural and barrier properties of the films. The present study systematically evaluated the influence of varying CNF substitution ratios (0–30%) on the physicochemical characteristics of the resulting composite films and their performance in tomato preservation. The results demonstrated that an appropriate CNF incorporation facilitated the formation of a dense, cross-linked network with chitosan and TF via hydrogen bond interactions, significantly improving both mechanical strength and water resistance. Among all formulations, the CSTF-CNF20 film exhibited optimal comprehensive performance, achieving the highest tensile strength of 27.60 MPa. Moreover, its swelling ratio markedly decreased from 675.5% (CSTF-CNF0) to 120.9%, while the water contact angle increased to 113.7°, and the DPPH radical scavenging activity remained above 85%. Tomato preservation assays revealed that, in comparison with the untreated control and polyethylene film-wrapped groups, the application of CSTF-CNF20 coating effectively mitigated the decline in weight loss and firmness, preserved surface color integrity, and resulted in the highest L* value alongside the lowest soluble solids content. These findings suggest that the synergistic integration of CNF with nano-scale metal–phenolic networks offers a viable strategy for developing high-performance chitosan-based edible films. The CSTF-CNF20 composite film holds significant promise for application in the postharvest preservation of fruits and vegetables. Full article

The poultry sector generates large amounts of feather waste every year, providing an abundant keratin-rich residue that is difficult to valorise due to its crosslinked and highly compacted crystalline structure. In the present work, with the aim of promoting its use in biodegradable plastic films, environmentally friendly processes, such as mechanical grinding (compactor grinder, CG), deep eutectic solvents (DES), and steam explosion process (SE) are being explored as alternatives to conventional chemical processes. Thus, biodegradable feather-based films were produced by compounding treated feathers in a torque rheometer at 40 wt.% with glycerol, ethylene glycol, and 1,2-propanediol (propylene glycol), followed by hot pressing. All formulations produced homogeneous and translucent films, which were characterized in terms of colorimetric properties and thermal and mechanical behaviour, as well as their degradation in soil conditions, revealing pronounced differences in properties as a function of the specific combination of feather treatment and plasticizer employed. Interestingly, soil disintegration tests revealed the fastest degradation of films of DES-treated feathers plasticized with glycerol. Overall, controlling feather treatment and plasticizer type enables tuning of mechanical performance and biodegradation, supporting keratin-based films as a viable route for feather waste valorisation. Full article

Magnetic nanocomposite sorbents are increasingly explored for the remediation of metal-contaminated waters; however, high abiotic removal efficiency may not always translate into biological safety. The present study evaluated the single and combined effects of dissolved cobalt (II) ions and magnetite–chitosan nanocomposites (MCN) in zebrafish (Danio rerio) embryos and larvae. MCN (30 wt.% Fe₃O₄) were synthesized via co-precipitation and crosslinking and physiochemically characterized. Adsorption experiments conducted in fish incubation medium demonstrated the efficacy of divalent Co removal and were well described by the Langmuir isotherm model, with a maximum experimental capacity of 20.08 mg g⁻¹. The biological endpoints encompassed survival, hatching, heart rate, locomotor behavior, and oxidative stress biomarkers in early-stage zebrafish. The presence of cobalt (II) was found to result in a reduced hatching success rate, the induction of persistent bradycardia, and the occurrence of oxidative stress, as evidenced by a decline in SOD activity and an increase in H₂O₂ and MDA levels. The study found that MCN alone did not lead to mortality or increase peroxide levels or lipid peroxidation, although a modest decrease in SOD activity was observed. In contrast, combined exposure to cobalt and MCN resulted in significant delayed mortality (>85% at 96 h) and early neuromotor impairment. These findings indicate that high abiotic sorption efficiency alone does not guarantee reduced biological toxicity when nanomaterial–metal interactions occur. Consequently, safety assessments of remediation nanomaterials should explicitly consider nanomaterial–metal interactions and developmental stage-specific biological responses. Full article

To investigate how natural inulin (FI) influences the quality of heat-induced beef myofibrillar protein (BMP) gels, BMP gel systems were prepared with graded FI concentrations (1%, 2%, 3%, 4%, and 5%). Texture analysis (TA), low-field nuclear magnetic resonance (LF-NMR), rheological measurements, scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FT-IR) were used to systematically characterise changes in gel properties, water migration and distribution, microstructure, and protein secondary structure. The results showed that the improvement in gel quality produced by inulin was concentration-dependent. FI at addition levels of 1–2% promoted the ordered intermolecular cross-linking of beef myofibrillar proteins, thereby facilitating the formation of a homogeneous and compact three-dimensional gel network, as confirmed by SEM and CLSM observations. Notably, 2% FI was identified as the optimal addition level for the BMP gel system. Compared with the control group, this treatment produced the highest relative β-sheet content (82%) among all groups, optimised the internal water distribution of the gel by reducing the proportion of free water, enhanced the water-holding capacity of the gels (p < 0.05), and preserved the elasticity-dominated solid-state characteristics of the BMP gel system (tan δ < 1), indicating that FI improved gel strength without changing its fundamental properties. These findings provide an important theoretical basis and practical technical parameters for the development of functional beef products with both desirable texture and high dietary fibre content. Full article

Peptide-based materials represent a rapidly growing field in nanotechnology, bridging bottom-up self-assembly and top-down approaches for the development of functional nanostructures. Among these systems, peptide-based nanogels (NGs), namely nanogels in which peptides assume a structural role, have emerged as a promising class of injectable formulations. Typically characterized by a core–shell architecture, these systems are closely related to peptide hydrogels in terms of structural organization. This review provides a state-of-the-art overview of peptides used as core structural elements for NG formulation, focusing on the peptide building blocks employed, the main formulation methodologies, and their current applications, with particular emphasis on pharmaceutical ones. Their potential as drug delivery systems and stimuli-responsive platforms for controlled and targeted release is also reported. For clarity, the reported formulations are classified according to the chemical nature of the core-structuration peptide, distinguishing systems based on Fmoc-FF from those derived from other primary sequences, including Boc-protected tripeptides, dehydropeptides, and chemically crosslinked peptide assemblies. Full article

To develop a fully green and non-toxic wood adhesive with improved water resistance and bonding performance for soybean meal (Glycine max (L.) Merr.)-based adhesives, oxidized tannin (OTN) was obtained by the laccase treatment of waxberry tannin (TN), a natural polyphenolic polymer, and then blended with soybean meal (SM) to prepare an oxidized tannin–soybean meal adhesive (OTS). Laccase-mediated oxidation converted the tannin polymer into quinone-rich oxidized polymeric structures, which reacted with amino groups in soybean meal proteins through Michael addition and Schiff base reactions to form a covalently crosslinked polymeric network. Under the optimal conditions of a laccase dosage of 10%, an oxidation time of 6 h, an OTN:SM mass ratio of 0.5:1, and a hot-pressing temperature of 160 °C, plywood bonded with OTS exhibited a wet shear strength of 0.85 MPa at 63 °C, representing a 136% increase over that of the neat soybean meal adhesive, and showed slightly higher bonding performance than the commercial urea-formaldehyde (UF) resin under boiling-water conditions. Structural analyses (FT-IR and XPS) verified quinone formation and carbon–nitrogen single and double bonds. Thermal analyses (DSC and TGA) revealed improved curing reactivity and significantly enhanced thermal stability compared with the neat soybean meal adhesive. Full article

Lubricants are essential for water-based drilling fluids. Catechol-based lubricants provide improved lubrication performance owing to their strong adhesion ability through the formation of coordination bonds inspired by mussel adhesion. However, the conventional synthetic ester and amide lubricants suffer from loss of adhesive capability due to hydrolysis and autoxidation. Inspired by mussels and melanin biosynthesis, a biomimetic strategy was developed to synthesize a high-adhesion lubricant with good stability via thiol-quinone Michael addition to restore and stabilize the catechol moiety. Bisphenol A was oxidized to the corresponding quinone using 2-iodoxybenzoic acid. Subsequent Michael addition reaction with 1-octadecanethiol produced a thiol-functionalized lubricant containing catechol moieties and long alkyl chains through an S-catecholyl linkage. Biomimetic principles were incorporated into both the molecular structure and the synthetic route, emulating the structural and functional features of mussel adhesion and melanin biosynthesis. Octadecanethiol provided sulfur-containing extreme-pressure functionality and contributed to strong adsorption on metal surfaces. The molecular structure was confirmed by FTIR, ¹H NMR, and ¹³C NMR. The thiol-functionalized lubricant formed strong coordination with Fe³⁺ and Fe²⁺ ions across a wide pH range, with an apparent complexation stoichiometry of 1:1 and conditional stability constants of 4.09 and 5.02, respectively. Bis-coordination formed a cross-linking network. It exhibited good resistance toward autoxidation and thermal stability up to 350 °C. In bentonite-based drilling fluids, the extreme pressure lubrication coefficient and adhesion coefficient at a 1% addition were 0.06 and 0.07, respectively. The coefficient of friction and wear scar diameter were 0.09 and 0.63 mm, respectively. The increased contact angle confirmed strong adsorption of the lubricant on metal surfaces. The lubricant combined strong adhesion, high stability, and excellent compatibility with drilling fluids, highlighting its potential as an advanced biomimetic lubricant. This biomimetic thiol-quinone addition strategy provides an effective approach to overcome the instability of conventional catechol-based lubricants. Full article