Search Results (148)

The development of membranes and patches for controlled drug release to enhance therapeutic efficacy is a promising approach to addressing the challenge posed by poor adherence to pharmacological therapies for chronic diseases. In this study, we designed an electrospun polycaprolactone (PCL) nanofibrous membrane reinforced with different concentrations (0.04%, 0.05%, 0.075%, and 0.2%) of functionalized multi-walled carbon nanotubes (f-MWCNTs) intended for biomedical applications, such as transdermal devices. We characterized the resulting composites using scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), atomic force microscopy (AFM), and dynamic mechanical analysis (DMA) to evaluate their morphology, chemical composition, and mechanical properties. We also measured their cytotoxicity upon contact with peripheral blood mononuclear cells. The nanofibers had diameters below 100 nm and inclusions of microspheres, which were attributed to the electrospinning expansion phenomenon. Spectroscopic and mechanical analyses confirmed molecular interactions between the PCL matrix and the f-MWCNTs. Finally, biological tests demonstrated that both the dispersion of f-MWCNTs and the nanofiber sizing render the membranes biocompatible, supporting their potential use as drug-delivery systems. Full article

Silicone implants are widely used in medical applications, particularly for breast augmentation and reconstruction. However, ongoing concerns regarding their long-term safety and biocompatibility necessitate comprehensive characterization. This review critically evaluates the chemical, physical, and biological testing approaches currently used to assess silicone implants, and specifically silicone breast implants, biocompatibility, and highlights the limitations of existing ISO 10993-based protocols, which often apply a one-size-fits-all model. We propose an application-specific framework to improve the relevance and precision of biocompatibility assessments. Chemical analyses, including Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy, provide essential information on polymer structure, integrity, and composition, thereby supporting quality control and market surveillance. Physical characterization methods, such as scanning electron microscopy (SEM), atomic force microscopy (AFM), and contact angle measurements, assess the surface morphology, hydrophobicity, and potential defects that may influence the host response. Mechanical testing, which evaluates properties such as tensile strength and fatigue resistance, simulates in vivo stress conditions to predict the long-term durability. Biological evaluations guided by ISO 10993 use in vitro and in vivo models to assess cytotoxicity, adhesion, inflammation, and tissue integration. However, these are often not tailored to the implant type, surface features, or duration of exposure. Emerging tools, such as organ-on-a-chip platforms and machine learning models, offer new possibilities for predictive and context-specific evaluation. We advocate a standardized, modular strategy that integrates chemical, physical, and biological testing with clinical data to bridge preclinical assessments and real-world outcomes, with a specific focus on silicone breast implants. The aim of this approach is to improve patient safety, regulatory clarity, and device innovation across the global landscape of silicone implant development. Full article

The mechanical behavior of nanoparticle assemblies depends strongly on particle size, yet the underlying mechanisms remain insufficiently understood. In present study, we employ a scheme combining discrete element method (DEM) and molecular dynamics (MD) simulations to examine size-dependent strength and deformation in disordered copper nanoparticle assemblies. Granular packings generated by DEM were transformed into atomic models and subjected to uniaxial compression in MD simulations. Assemblies composed of nanoparticles with radius smaller than ~2.5 nm fully densify during relaxation, forming nanopolycrystalline solids, whereas larger particles preserve porous architectures. This structural divergence governs subsequent deformation. Small-particle assemblies deform through grain boundary migration and grain growth, exhibiting an inverse Hall–Petch-type strength dependence. In contrast, large-particle assemblies deform primarily via interparticle contact evolution and densification, with strength conforming to a Gibson–Ashby-type prediction. A scaling law captures the strength variation across size range in this regime. These results establish the competition between surface energy-driven densification and contact-dominated deformation as the controlling factor in the mechanical response of nanoparticle assemblies, providing guidance for designing nanoparticle-based materials with tailored mechanical performance. Full article

Wettability significantly influences fluid distribution and flow behavior in hydrocarbon reservoirs, yet traditional macroscopic measurements fail to capture the micro- and nanoscale interfacial interactions that govern these processes. This study addresses a critical knowledge gap by employing molecular dynamics simulations to systematically investigate how salinity and mineral composition control wettability at the atomic scale—insights that are experimentally inaccessible yet essential for optimizing enhanced oil recovery strategies. We examined five typical reservoir minerals—kaolinite, montmorillonite, chlorite, quartz, and calcite—along with graphene as a model organic surface. Our findings reveal that while all minerals exhibit hydrophilicity (contact angles below 75°), increasing salinity weakens water wettability, with Ca²⁺ ions exerting the strongest effect due to their high charge density, which enhances electrostatic attraction with negatively charged mineral surfaces and promotes specific adsorption at the mineral–water interface, thereby displacing water molecules and reducing surface hydrophilicity. In oil–water–mineral systems, we discovered that graphene displays exceptional oleophilicity, with hydrocarbon interaction energies reaching −7043.61 kcal/mol for C₁₈H₃₈, whereas calcite and quartz maintain strong hydrophilicity. Temperature and pressure conditions modulate interfacial behavior distinctly: elevated pressure enhances molecular aggregation, while higher temperature promotes diffusion. Notably, mixed alkane simulations reveal that heavy hydrocarbons preferentially adsorb on mineral surfaces and form highly ordered structures on graphene, with diffusion rates inversely correlating with molecular size. These atomic-scale insights into wettability mechanisms provide fundamental understanding for designing salinity management and wettability alteration strategies in enhanced oil recovery operations. Full article

This study systematically benchmarks the performance of four single soft magnetic powders—water-atomized Fe–Si–Cr (FeSiCr), silica-coated reduced iron powder (RIP), silica-coated carbonyl iron powder (CIP), and phosphate-coated CIP (CIP-P)—to establish quantitative relationships between powder attributes, deformation substructure, and high-frequency loss for molded power inductors (100 kHz–1 MHz). We prepared toroidal compacts at 200 MPa and characterized them by initial permeability (μ_i), core-loss (P_cv(f)), partitioning (P_cv(f) = K_hf + K_ef², K_h, $K_{\mathrm{e}}$: hysteresis and eddy-current loss coefficients), and EBSD (electron backscatter diffraction)-derived microstrain metrics (Kernel Average Misorientation, KAM; low-/high-angle grain-boundary fractions). Corrosion robustness was assessed using a 5 wt% NaCl, 35 °C, 24 h salt-spray protocol. Our findings reveal that FeSiCr achieves the highest μ_i across the frequency band, despite its lowest compaction density. This is attributed to its coarse particle size (D₅₀ ≈ 18 µm) and the resulting lower intragranular pinning. The loss spectra are dominated by hysteresis over this frequency range, with FeSiCr exhibiting the largest K_h, while the fine, silica-insulated Fe powders (RIP/CIP) most effectively suppress K_e. EBSD analysis shows that the high coercivity and hysteresis loss in CIP (and, to a lesser extent, RIP) are correlated with dense, deformation-induced subgrain networks, as evidenced by higher mean KAM and a lower low-angle grain boundary fraction. In contrast, FeSiCr exhibits the lowest KAM, with strain confined primarily to particle contact regions. Corrosion testing ranked durability as FeSiCr ≳ CIP ≈ RIP ≫ CIP-P, which is consistent with the Cr-rich passivation of FeSiCr and the superior barrier properties of the SiO₂ shells compared to low-dose phosphate. At 15 A, inductance retention ranks CIP (67.9%) > RIP (55.7%) > CIP-P (48.8%) > FeSiCr (33.2%), tracking a rise in effective anisotropy and—for FeSiCr—lower M_s that precipitate earlier roll-off. Collectively, these results provide a microstructure-informed selection map for single-powder formulations. We demonstrate that particle size and shell chemistry are the primary factors governing eddy currents (K_e), while the KAM-indexed substructure dictates hysteresis loss (K_h) and DC-bias superposition characteristics. This framework enables rational trade-offs between magnetic permeability, core loss, and environmental durability. Full article

Wider adoption of membrane technology is hindered by fouling and flux/rejection challenges. Recent practice in mitigating these is to incorporate hydrophilic and porous fillers. Herein the addition of hydrophilic graphene oxide (GO) in conjunction with porous mixed ZIFs (ZIF-67/ZIF-8) crystallites were used as inorganic fillers in the preparation of polyphenylenesulfone (PPSU) ultrafiltration (UF) membranes. The morphology of the resultant composite membranes was assessed using atomic force microscopy (AFM) and scanning electron microscopy (SEM) whilst surface hydrophilicity through water contact angle. The pure water flux (PWF) and membrane permeability were found to increase with increasing filler content. This was attributed to the combined hydrophilicity of GO and porous structure of the ZIF materials because of increasing alternative water pathways in the membrane matrix with increasing filler content. Furthermore, the increase in the ZIF component led to increasing bovine serum albumin (BSA) fouling resistance as demonstrated by increasing fouling recovery ratio (FRR). The dye rejection was due to a combination of electrostatic interaction between the fillers and the dyes as well as size exclusion. The chemical interactions between the ZIFs and the dyes resulted in slightly different rejection profiles for the smaller dyes, the cationic methylene blue being rejected less efficiently than the anionic methyl orange, potentially leading to their separation. The larger anionic dye, Congo red was rejected predominately through size exclusion. Full article

In view of the problems existing in the application of greenhouse pesticides in China, this paper developed a swing-arm sprayer for greenhouse high-stem crops through field research and a literature review. Static and dynamic simulations of the swing-arm mechanism were carried out to verify the rationality of the structure. The average contact angle between the water and tomato leaves was 49.39°, while the contact angle of the auxiliary solution on the tomato leaves decreased to 40.98°. An indoor atomization test platform was designed to accurately test the particle size and spray performance. The relative span (RS) of droplet distribution showed that the RS values of nozzles 015, 02, and 03 were relatively small, while the RS value of nozzle 04 was about 1.734. With the addition of additives, the RS value of nozzle 02 decreased from 1.305 to 1.021. The field tests showed that the deposition of fog droplets on the front of tomato leaves was in the order of middle > lower > ground > upper (3.622 μL/cm², 3.005 μL/cm², 2.977 μL/cm², and 2.931 μL/cm², respectively). The results indicate that adding additives or increasing the swing-arm angle is beneficial for improving the uniformity of canopy droplet deposition. The front fog droplet coverage of the lower canopy of tomatoes was the lowest, with an average of 26.00%, while the middle and upper canopies had the highest, with an average of 50.58% and 50.72%, respectively. The research found that the spray coverage rate on the front and back sides of tomato leaves was relatively uniform, indicating that the swing-arm greenhouse sprayer designed in this paper could meet the spray quality requirements for tomato pest control. Full article

Antibacterial surfaces inspired by biological micro- and nanostructures, such as those found on the wings of cicadas and dragonflies, have attracted interest due to their ability to inhibit bacterial adhesion and damage microbial membranes without relying on chemical agents. However, conventional fabrication techniques like photolithography or nanoimprinting are limited by substrate shape, size, and high operational costs. In this study, we developed a scalable method using atmospheric-pressure low-temperature plasma (APLTP) to fabricate sharp-edged nanospikes on solvent-cast polymethyl methacrylate (PMMA) films. The nanospikes were formed through plasma-induced modification of pores in the film, followed by annealing to control surface wettability while maintaining structural sharpness. Atomic force microscopy confirmed the formation of micro/nanostructures, and contact angle measurements revealed reversible hydrophilicity. Antibacterial performance was evaluated against Escherichia coli using ISO 22196 standards. While the film with only plasma treatment reduced bacterial colonies by 30%, the film annealed after plasma treatment achieved an antibacterial activity value greater than 5, with bacterial counts below the detection limit (<10 CFU). These findings demonstrate that APLTP offers a practical route for large-area fabrication of biomimetic antibacterial coatings on flexible polymer substrates, holding promise for future applications in healthcare, packaging, and public hygiene. Full article

Molecular electronics studies have advanced from early, simple single-molecule experiments at cryogenic temperatures to complex and multifunctional molecules under ambient conditions. However, room-temperature environments increase the risk of contamination, making it essential to identify and quantify clean and contaminated rupture traces (i.e., conductance versus relative electrode displacement) within large datasets. Given the high throughput of measurements, manual analysis becomes unfeasible. Clustering algorithms offer an effective solution by enabling the automatic classification and quantification of contamination levels. Despite the rapid development of machine learning, its application in molecular electronics remains limited. In this work, we present a methodology based on the DBSCAN (Density-Based Spatial Clustering of Applications with Noise) algorithm to extract representative traces from both clean and contaminated regimes, providing a scalable and objective tool to evaluate environmental contamination in molecular junction experiments. Full article

As part of a systematic study on the structures of the mixed halide isothiocyanates, Sn^IIHal(NCS), their single crystals were grown and structurally characterized. For Hal = F (1), the SnClF structure type was confirmed, while with Hal = Cl (2), Br (3), and I (4), there are three isostructural compounds of a new structure type, and for Hal = Cl (5), there is a second modification of a third structure type. These structure types have been described with respect to the composition and coordination geometry of the first, second, and van der Waals crust coordination spheres and their dependence on the halogen size and thiocyanate binding modes. With respect to the first coordination spheres, all three structure types constitute one-dimensional coordination polymers. In 1, “ladder”-type double chains result from μ₃-bridging fluorine atoms, and in 2–4, single-chains built up from μ₂-halogen atoms are pairwise “zipper”-like interconnected via κ²NS-bridging NCS ligands, which manage the halogen-linked chain assembly in the double chains of 5. Based on the octet rule, short atom distances are interpreted in terms of 2c-2e and various (symmetrical, quasi-symmetrical, and asymmetrical) kinds of 3c-4e bonds. Weak contacts, the topology of which suggests the extension of the latter bonding concept, are identified as electron-deficient, bifurcated tetrel bonds. Full article

With the widespread application of ozone technology in agricultural plant protection, developing an ozonated water atomizer that integrates efficient mixing and precise spraying has been recognized as a significant challenge. Swirling flow is considered a method to enhance hydrodynamics and mass transfer in gas–liquid mixing. This study innovatively combines an axial nozzle with a swirling mixing chamber, utilizing the negative pressure generated by the high-speed central airflow at the nozzle throat as the driving force for swirling mixing and initial atomization, completing mass transfer and preliminary atomization before the formation of the mist, thereby improving gas–liquid contact and mass transfer efficiency. Through numerical simulations, the impact of geometric parameters at key locations on the internal flow of the atomizer was analyzed. The optimized inlet diameter of the atomizer was found to be 9 mm, with a throat length of 3 mm and a self-priming hole diameter of 1.5 mm. Experimental results on droplet size and ozone droplet concentration verified that at the optimal spraying pressure of 0.6 MPa, a concentration of up to 3.73 mg·L⁻¹ with an average droplet size of 102 µm, evenly distributed, could be generated at a distance of 40 cm from the target. This work provides a technological framework for advancing precision ozone-based plant protection, aligning with global efforts to reduce agrochemical footprints through innovative application systems. It offers theoretical guidance and data support for the development and design of high-efficiency ozone atomizers in agricultural applications, aiming to minimize the use of agricultural chemicals and promote the growth of green plant protection technologies. Full article

From the lanthanide group, part of the rare earth elements (REEs), lanthanum is one of the most important elements given its application potential. Although it does not have severe toxicity to the environment, its increased usage in advanced technologies and medical fields and scarce natural reserves point to the necessity also of recovering lanthanum from diluted solutions. Among the multiple methods for separation and purification, adsorption has been recognized as one of the most promising because of its simplicity, high efficiency, and large-scale availability. In this study, a xerogel based on silicon and iron oxides doped with zinc oxide and polymer (SiO₂@Fe₂O₃@ZnO) (SFZ), obtained by the sol–gel method, was considered as an adsorbent material. Micrography indicates the existence of particles with irregular geometric shapes and sizes between 16 μm and 45 μm. Atomic force microscopy (AFM) reveals the presence of dimples on the top of the material. The specific surface area of the material, calculated by the Brunauer–Emmet–Teller (BET) method, indicates a value of 53 m²/g, with C constant at a value of 48. In addition, the Point of Zero Charge (pH_pZc) of the material was determined to be 6.7. To establish the specific parameters of the La(III) adsorption process, static studies were performed. Based on experimental data, kinetic, thermodynamic, and equilibrium studies, the mechanism of the adsorption process was established. The maximum adsorption capacity was 6.7 mg/g, at a solid/liquid ratio = 0.1 g:25 mL, 4 < pH < 6, 298 K, after a contact time of 90 min. From a thermodynamic point of view, the adsorption process is spontaneous, endothermic, and occurs at the adsorbent–adsorbate interface. The Sips model is the most suitable for describing the observed adsorption process, indicating a complex interaction between La(III) ions and the adsorbent material. The material can be reused as an adsorbent material, having a regeneration capacity of more than 90% after the first cycle of regeneration. The material was reused 3 times with considerable efficiency. Full article

Aluminum ion batteries (AIBs) exhibit a promising development prospect due to their advantages such as high theoretical specific capacity, high safety, low cost, and sufficient raw material sources. In this work, nanosheet tin disulfide (SnS₂) was successfully prepared using the hydrothermal method and then used as a cathode material for AIBs. The synthesized nano-flake SnS₂ has a large size and thin thickness, with a size of about 900 nm and a thickness of about 150 nm. This electrode material effectively enhances the contact interface with the electrolyte and shortens the depth and travel distance of ion deintercalation. As an electrode, the battery obtained a residual discharge specific capacity of about 55 mAh g⁻¹ and a coulombic efficiency of about 83% after 600 cycles. Furthermore, the first-principles calculation results show that the energy storage mechanism is the deintercalation behavior of Al³⁺. Based on model analysis and calculation results, it can be seen that compared with the position between two sulfur atoms, Al³⁺ is more inclined to be deintercalated directly above the sulfur atom. This study provides fundamental data for the large-scale preparation of AIBs using SnS₂ as an electrode material and the application research of AIBs. Full article

Background/Objectives: This study investigates the stabilisation mechanisms of azelaic acid nanosuspensions (AZA-NS) prepared by wet media milling (WMM) using hydroxypropyl methylcellulose (HPMC) and chitosan as stabilisers. The aim was to elucidate the physical interactions relevant for stabilisation and to evaluate the effectiveness of a dual stabiliser approach to improve AZA-NS stability. Methods: AZA-NS were characterised using Fourier transform infrared spectroscopy (FTIR) to evaluate the chemical interactions, differential scanning calorimetry (DSC) for thermal properties, atomic force microscopy (AFM) to analyse the adsorption of the stabiliser on the AZA surface and X-ray diffraction (XRD) to evaluate the crystallinity. Contact angle and immersion studies were performed to evaluate wettability, and alternative stabilisers were tested for comparison. Results: Highly concentrated AZA-NS (up to 20% drug loading) were successfully produced with particle sizes between 326.8 and 541.2 nm, which are in the optimal range for follicular drug delivery. FTIR confirmed stabilisation by adsorption and not by chemical interaction. DSC revealed a melting point depression, indicating a partial disorder of the crystal lattice. AFM imaging showed different adsorption patterns for HPMC and chitosan, suggesting better surface coverage compared to alternative stabilisers. XRD confirmed the retention of the AZA crystalline form after milling. Contact angle and immersion studies showed improved wettability due to the synergistic effects of HPMC and chitosan. Alternative stabilisers showed suboptimal performance, highlighting the superior stabilising potential of the HPMC–chitosan combination. Conclusions: This study provides important insights into the dual stabilisation mechanisms and highlights the importance of combining steric and electrostatic stabilisers for the formulation of stable nanosuspensions of medium soluble drugs such as AZA. These results support the development of optimised nanosuspensions with increased stability and improved pharmaceutical applicability. Full article

2-Hydroxy-3-methoxybenzaldehyde semicarbazone (HMBS) is a multidentate ligand with interesting coordination behavior that depends on the central metal ion and the overall complex geometry. In this contribution, the structural characteristics of five HMBS-containing complexes with different metal ions (Dy, Er, Ni, and V) were investigated. Four binuclear and one mononuclear complex were selected from the Cambridge Structural Database. The crystallographic structures and intermolecular interactions in the solid state were analyzed, and the effect of central metal ions was elucidated. The different contributions of the most numerous contacts were explained by examining additional ligands in the structure. Density functional theory (DFT) optimizations were performed for the selected complexes, and the applicability of different computational methods was discussed. The Quantum Theory of Atoms in Molecules (QTAIMs) approach was employed to identify and quantify interactions in nickel and vanadium complexes, highlighting the role of weak intermolecular interactions between ligands in stabilizing the overall structure. Molecular docking studies of the interaction between these complexes and Human Serum Albumin (HSA) demonstrated that all compounds bind within the active pocket of the protein. The overall size and presence of aromatic rings emerged as key factors in the formation of stabilizing interactions. Full article