Search Results (1,263)

Due to the increasing demand for agricultural water, the water availability for winter and spring irrigation of cotton fields has decreased. Consequently, dry seeding followed by irrigation (DSSI) has become a widespread cotton cultivation technique in Xinjiang. This study focused on the interaction between soil particles and cotton seeding equipment under DSSI in Xinjiang. The discrete element method (DEM) simulation framework was employed to compare the performance of the Johnson-Kendall-Roberts (JKR) model and Bonding model in simulating contact between soil particles. The models’ ability to simulate the angle of repose was investigated, and shear tests were conducted. The simulation results showed that both models had comparable repose angles, with relative errors of 0.59% for the JKR model and 0.36% for the contact model. However, the contact model demonstrated superior predictive accuracy in simulating direct shear test results, predicting an internal friction angle of 35.8°, with a relative error of 5.8% compared to experimental measurements. In contrast, the JKR model exhibited a larger error. The Bonding model provides a more accurate description of soil particle contact. Subsoiler penetration tests showed that the maximum penetration force was 467.2 N, closely matching the simulation result of 485.3 N, which validates the reliability of the model parameters. The proposed soil simulation framework and calibrated parameters accurately represented soil mechanical properties, providing a robust basis for discrete element modeling and structural optimization of soil-tool interactions in cotton field tillage machinery. Full article

During the process of oil and gas drilling, due to the existence of pores or micro-cracks, drilling fluid is prone to invade the formation. Under the action of hydration expansion of clay in the formation and liquid pressure, wellbore instability occurs. In order to reduce the wellbore instability caused by drilling fluid intrusion into the formation, this study proposed a method of forming a dynamic hydrogen bond cross-linked network weak gel structure with modified nano-silica and P(AM-AAC). The plugging performance of the drilling fluid and the performance of inhibiting the hydration of shale were evaluated through various experimental methods. The results show that the gel composite system (GCS) effectively optimizes the plugging performance of drilling fluid. The 1% GCS can reduce the linear expansion rate of cuttings to 14.8% and increase the recovery rate of cuttings to 96.7%, and its hydration inhibition effect is better than that of KCl and polyamines. The dynamic cross-linked network structure can significantly increase the viscosity of drilling fluid. Meanwhile, by taking advantage of the liquid-phase viscosity effect and the physical blocking effect, the loss of drilling fluid can be significantly reduced. Mechanism studies conducted using zeta potential measurement, SEM analysis, contact angle measurement and capillary force assessment have shown that modified nano-silica stabilizes the wellbore by physically blocking the nano-pores of shale and changing the wettability of the shale surface from hydrophilic to hydrophobic when the contact angle exceeds 60°, thereby reducing capillary force and surface free energy. Meanwhile, the dynamic cross-linked network can reduce the seepage of free water into the formation, thereby significantly lowering the fluid loss of the drilling fluid. This research provides new insights into improving the stability of the wellbore in drilling fluids. Full article

In view of the lack of accurate model in the discrete element study during straw comprehensive utilization (crushing, mixing, and baling), wheat straw was taken as the research object to calibrate the simulation parameters using EDEM 2023. The intrinsic and contact mechanical parameters of wheat straw were measured, and a test of the angle of repose (AOR), extrusion test and bending test were carried out. On this basis, a discrete element model (DEM) of hollow flexibility by using cylindrical particles was developed. The optimal combination of contact mechanical parameters was obtained through AOR tests based on the Box–Behnken design (BBD), coefficients of static friction, rolling friction, and restitution between wheat straw and wheat straw-45 steel are separately 0.227, 0.136, 0.479, 0.271, 0.093, and 0.482, AOR is 18.66°. Meanwhile, optimal combinations of bond contact parameters were determined by the BBD. The calibrated parameters were used to conduct extrusion and bending tests. Results show that the average values of peak extrusion force and peak bending pressure are 23.20 N and 3.92 N, which have relative discrepancy of 3.25% and 3.59% compared to physical test measurements. The results can provide model reference for the optimization design such as feed processing equipment, baler, and mixer. Full article

Quinoa protein isolate (QPI) and sodium alginate (SA) have excellent biocompatibility and functional properties, making them promising candidates for food-grade delivery systems. In this study, we developed, for the first time, a QPI/SA complex-stabilized Pickering emulsion for curcumin encapsulation. The coacervation behavior of QPI and SA was investigated from pH 1.6 to 7.5, and the structural and interfacial characteristics of the complexes were analyzed using zeta potential measurements, Fourier-transform infrared spectroscopy, scanning electron microscopy, and contact angle analysis. The results showed that the formation of QPI/SA complexes was primarily driven by electrostatic interactions, hydrogen bonding, and hydrophobic interactions, with enhanced amphiphilicity observed under optimal conditions (QPI/SA = 5:1, pH 5). The QPI/SA-stabilized Pickering emulsions demonstrated excellent emulsification performance and storage stability, maintaining an emulsification index above 90% after 7 d when prepared with 60% oil phase. In vitro digestion studies revealed stage-specific curcumin release, with sustained release in simulated gastric fluid (21.13%) and enhanced release in intestinal fluid (88.21%). Cytotoxicity assays using HeLa cells confirmed the biocompatibility of QPI/SA complexes (≤500 μg/mL), while curcumin-loaded emulsions exhibited dose-dependent anticancer activity. These findings suggest that QPI/SA holds significant potential for applications in functional foods and oral delivery systems. Full article

This study investigates the improvement effect and micro-mechanism of guar gum and palm fibers, two eco-friendly materials, on expansive soil. The study uses disintegration tests, unconfined compressive strength tests, triaxial compression tests, and SEM analysis to evaluate the enhancement of mechanical properties. The results show that the guar gum–palm fiber composite significantly improves the compressive and shear strength of expansive soil. The optimal ratio is 2% guar gum, 0.4% palm fiber, and 6 mm palm fiber length. Increasing fiber length initially boosts and then reduces unconfined compressive strength. Guar gum increases unconfined compressive strength by 187.18%, further improved by 20.9% with palm fibers. When fiber length is fixed, increasing palm fiber content increases and then stabilizes peak stress and shear strength (cohesion and internal friction angle), improving by 27.30%, 52.1%, and 12.4%, respectively, compared to soil improved with only guar gum. Micro-analysis reveals that guar gum enhances bonding between soil particles via a gel matrix, improving water stability and mechanical properties, while palm fibers reinforce the soil and inhibit crack propagation. The synergistic effect significantly enhances composite-improved soil performance, offering economic and environmental benefits, and provides insights for expansive soil engineering management. Full article

The inferior electrical conductivity and elevated hardness of AgSnO₂ electrical contact materials have impeded their development. To investigate the effects of Co, Bi, and La doping on the stability and electrical properties of AgSnO₂, this study established interfacial models of doped AgSnO₂ based on first-principles calculations initiated from the atomic structures of constituent materials, subsequently computing electronic structure parameters. The results indicate that doping effectively enhances the interfacial stability and bonding strength of AgSnO₂ and thereby predicted improved electrical contact performance. Doped SnO₂ powders were prepared experimentally using the sol–gel method, and AgSnO₂ contacts were fabricated using high-energy ball milling and powder metallurgy. Testing of wettability and electrical contact properties revealed reductions in arc energy, arcing time, contact resistance, and welding force post-doping. Three-dimensional profilometry and scanning electron microscopy (SEM) were employed to characterize electrical contact surfaces, elucidating the arc erosion mechanism of AgSnO₂ contact materials. Among the doped variants, La-doped electrical contact materials exhibited optimal performance (the lowest interfacial energy was 1.383 eV/Ų and wetting angle was 75.6°). The mutual validation of experiments and simulations confirms the feasibility of the theoretical calculation method. This study provides a novel theoretical method for enhancing the performance of AgSnO₂ electrical contact materials. Full article

Molecular dynamics (MD) simulations have been performed on the energetics, mechanical properties, and irradiation response of seventy-three 3C-SiC symmetric tilt grain boundaries (STGBs) with three tilt axes (<100>, <110> and <111>). The effect of GB characteristics on the STGB properties has been investigated. The GB energy is positively and linearly correlated with the excess volume, but the linearity in SiC is not as good as in metals, which stems from the inhomogeneous structural relaxation near GBs induced by orientation-sensitive covalent bonding. For <110>STGBs, the shear strength exhibits symmetry with respect to the misorientation angle of 90°, which is consistent with ab initio calculations for Al in similar shear orientations. Cascades are performed with 8 keV silicon as the primary knock-on atom (PKA). No direct correlation is found between the sink efficiency of GBs for defects and GB characteristics, which comes from the complexity of the diatomic system during the recovery phase. For GBs with smaller values of Σ, the GBs exhibit a weaker blocking effect on the penetration of irradiated defects, resulting in a lower number of defects in GBs and a higher number of total surviving defects. In particular, it is seen that the percentage decrease in tensile strength after irradiation is positively correlated with the Σ value. Taken together, these results help to elucidate the impact of GB behavior on the mechanical properties of as well as the primary irradiation damage in SiC and provide a reference for creating improved materials through GB engineering. Full article

In this study, a composite film with dual antioxidant and antibacterial properties was prepared by combining 2% chitosan and 7% gelatin (2:1, w:w), with D-carvone (0–4%) as the primary active component. The effect of D-carvone content on the performance of the composite films was systematically investigated. The results showed that adding 1% D-carvone increased the water contact angle by 28%, increased the elongation at break by 35%, and decreased the WVTR by 18%. FTIR and SEM confirmed that ≤2% D-carvone uniformly bonded with the substrate through hydrogen bonds, and the film was dense and non-porous. In addition, the DPPH scavenging rate of the 1–2% D-carvone composite film increased to about 30–40%, and the ABTS⁺ scavenging rate increased to about 35–40%; the antibacterial effect on Escherichia coli and Staphylococcus aureus increased by more than 70%. However, when the addition amount was too high (exceeding 2%), the composite film became agglomerated, microporous, and phase-separated, affecting the film performance, and due to its own taste, it reduced the sensory quality of the noodles. Comprehensively, the composites showed better performance when the content of D-carvone was 1–2% and also the best effect for freshness preservation in Xinjiang ramen. This study provides a broad application prospect for natural terpene compound-based composite films in the field of high-moisture, multi-fat food preservation, and provides a theoretical basis and practical guidance for the development of efficient and safe food packaging materials. In the future, the composite film can be further optimized, and the effect of flavor can be further explored to meet the needs of different food preservation methods. Full article

Simulation is an important technical tool in corn threshing operations, and the establishment of the corn kernel model is the core part of the simulation process. The existing modeling method is to treat the whole kernel as a rigid body, which cannot be crushed during the simulation process, and the calculation of the crushing rate needs to be considered through multiple criteria such as the contact force, the number of collisions, and so on. Aiming at the issue that kernel crushing during maize threshing cannot be accurately modeled in discrete element simulations, in this study, a sub-area crushing model was constructed; representative samples with 26%, 30% and 34% moisture content were selected from a double-season maturing region in China; based on the physical dimensions and biological structure of the maize kernel, three stress regions were defined; and mechanical property tests were conducted on each of the three stress regions using a texturometer as a way to determine the different crushing forces due to the heterogeneity of the maize structure. The correctness of the model was verified by stacking angle and mechanical property experiments. A discrete element model of corn kernels was established using the Bonding V2 method and sub-area modeling. Bonding parameters were calculated by combining stacking angle tests and mechanical property tests. The flattened corn kernel was used as a prototype, and the bonding parameters were determined through size and mechanical property tests. A 22-ball bonding model was developed using dimensional parameters, and the kernel density was recalculated. Results showed that the relative error between the stacking angle test and the measured mean value was 0.31%. The maximum deviation of axial compression simulation results from the measured mean value was 22.8 N, and the minimum deviation was 3.67 N. The errors between simulated and actual rupture forces at the three force areas were 5%, 10%, and 0.6%, respectively. The decreasing trend of the maximum rupture force for the three moisture levels in the simulation matched that of the actual rupture force. The discrete element model can accurately reflect the rupture force, energy relationship, and rupture process on both sides, top, and bottom of the grain, and it can solve the error problem caused by the contact between the threshing element and the grain line in the actual threshing process to achieve the design optimization of the threshing drum. The modeling method provided in this study can also be applied to breakable discrete element models for wheat and soybean, and it provides a reference for optimizing the design of subsequent threshing devices. Full article

The development of sustainable and functional nanocomposites has attracted considerable attention in recent years due to their broad spectrum of potential applications, including wood preservation. Also, a global goal is to reuse the large volumes of waste for environmental issues. In this context, the aim of the study was to obtain soda lignin particles, to graft ZnO nanoparticles onto their surface and to apply these hybrids, embedded into a biodegradable polymer matrix, as protection/preservation coating for oak wood. The organic–inorganic hybrids were characterized in terms of compositional, structural, thermal, and morphological properties that confirm the efficacy of soda lignin extraction and ZnO grafting by physical adsorption onto the decorating support and by weak interactions and coordination bonding between the components. The developed solution based on poly(3-hydroxybutyrate-co-3-hydroxyvalerate) and lignin-ZnO was applied to oak wood specimens by brushing, and the improvement in hydrophobicity (evaluated by water absorption that decreased by 48.8% more than wood, humidity tests where the treated sample had a humidity of 4.734% in comparison with 34.911% for control, and contact angle of 97.8° vs. 80.5° for untreated wood) and UV and fungal attack protection, while maintaining the color and aspect of specimens, was sustained. L.ZnO are well dispersed into the polymer matrix, ensuring a smooth and less porous wood surface. According to the results, the obtained wood coating using both a biodegradable polymeric matrix and a waste-based preservative can be applied for protection against weathering degradation factors, with limited water uptake and swelling of the wood, UV shielding, reduced wood discoloration and photo-degradation, effective protection against fungi, and esthetic quality. Full article

Zirconia restoration debonding is one of the common issues in its dental applications because of its dense and chemically inert structure that is difficult to bond to. In this study, plasma treatment of zirconia was performed to improve its bond strength and longevity with dental resin cement. Sandblasted zirconia specimens were treated using argon cold atmospheric plasmas (CAPs), followed by applying a thin layer of 10-MDP primer, dental resin cement with light curing. Micro-shear bond strength (µSBS) test results showed that 300 s of CAP treatment significantly increased the initial µSBS to 38.3 ± 5.6 MPa as compared with the 21.6 ± 7.9 MPa without CAP treatment. After 30 days of storage in 37 °C deionized (DI) water, CAP-treated zirconia specimens had 191.2% higher bond strength than the bonded specimens without plasma treatment. After 1000 cycles of thermal cycling (TC) between 5 °C and 55 °C, the CAP-treated zirconia specimens gave 30.5% higher bond strength than the bonded specimens without plasma treatment. Surface–water contact angle measurements indicated that the zirconia surface became much more hydrophilic but showed rapid hydrophobic recovery within the first hour of CAP treatment, indicating the importance of promptly applying the primer after the plasma treatment. These findings suggest that the argon CAP technique is effective in the surface preparation of zirconia for enhancing bond strength and longevity with dental cement. Full article

Background: A critical review of the literature demonstrates that masticatory apparatus with an artificial oral environment is of interest in the fields including (i) dental science; (ii) food science; (iii) the pharmaceutical industries for drug release. However, apparatus that closely mimics human chewing and oral conditions has yet to be realised. This study investigates the vital role of dental morphology and form–function connections using two-bite test parameters for effective drug release from medicated chewing gum (MCG) and compares them to human chewing efficiency with the aid of a humanoid chewing robot and a bionics product lifecycle management (PLM) framework with built-in reverse biomimetics—both developed by the first author. Methods: A novel, bio-engineered two-bite testbed is created for two testing machines with compression and torsion capabilities to conduct two-bite tests for evaluating the mechanical properties of MCGs. Results: Experimental studies are conducted to investigate the relationship between biting force and crushing/shearing and understand chewing efficiency and effective mastication. This is with respect to mechanochemistry and power stroke for disrupting mechanical bonds releasing the active pharmaceutical ingredients (APIs) of MCGs. The manuscript discusses the effect and the critical role that jaw physiology, dental morphology, the Bennett angle of mandible (BA) and the Frankfort-mandibular plane angle (FMA) on two-bite test parameters when FMA = 0, 25 or 29.1 and BA = 0 or 8. Conclusions: The impact on other scientific fields is also explored. Full article

The series of all three N-(4-methoxyphenyl)-nitrobenzenesulfonamides has been synthesized and their crystal structures analyzed. The bond lengths and angles are all very similar, only the C-S-N-C torsion angles are significantly different in the three molecules, leading to different orientations of the phenyl rings in the molecules. All three molecules exhibit N–H^…O hydrogen bonds with the sulfonamide group; however, in only two of the three is the acceptor an oxygen atom on the sulfonamide group. In the third, the acceptor oxygen is the methoxy oxygen atom. Compound A forms an infinite three-dimensional network, compound B exhibits ladder-shaped sheets, and C shows infinite sheets that are fairly planar. Overall, the differences in overall intermolecular interactions appear to be driven by packing rather than by the overall shapes of the molecules themselves. Full article

Background/Objectives: A nanostructured membrane of polycaprolactone (a synthetic polymer) was synthesized using an electrospinning technique aiming to enhance its hydrophilicity and rate of degradation by surface modification via aminolysis. Since polycaprolactone nanofibrous films are naturally hydrophobic and with slow degradation, which restricts their use in biological systems, amino groups were added to the fiber surface using the aminolysis technique, greatly increasing the wettability of the membranes. Methods: Polycaprolactone nanofibrous membranes were synthesized via the electrospinning technique and surface modification by aminolysis. Trypsin, pepsin, and pancreatin were conjugated onto the aminolyzed PNF surface to further strengthen biocompatibility by enhancing the hydrophilicity, porosity, and biodegradation rate. SEM, FTIR, EDX, and liquid displacement method were performed to investigate proteolytic efficiency and morphological and physical characteristics such as hydrophilicity, porosity, and degradation rates. Results: Enzyme activity tests, which showed a zone of clearance, validated the successful enzyme conjugation and stability over a wide range of pH and temperatures. Scanning electron microscopy (SEM) confirms the smooth morphology of nanofibers with diameters ranging from 150 to 950 nm. Fourier transform infrared spectroscopy (FTIR) revealed the presence of O–H, C–O, C=O, C–N, C–H, and O–H functional groups. Energy-dispersive X-ray (EDX) elemental analysis indicates the presence of carbon, oxygen, and nitrogen atoms owing to the presence of peptide and amide bonds. The liquid displacement technique and contact angle proved that Pepsin-PNFs possess notably increased porosity (88.50% ± 0.31%) and hydrophilicity (57.6° ± 2.3 (L), 57.9° ± 2.5 (R)), respectively. Pancreatin-PNFs demonstrated enhanced enzyme activity and degradation rate on day 28 (34.61%). Conclusions: These enzyme-conjugated PNFs thus show improvements in physicochemical properties, making them ideal candidates for various biomedical applications. Future studies must aim for optimization of enzyme conjugation and in vitro and in vivo performance to investigate the versatility of these scaffolds. Full article

Inspired by the active site of methane monooxygenase, we designed a Cu₂O cluster anchored in the six-membered nitrogen cavity of a C₂N monolayer (Cu₂O@C₂N) as a stable and efficient enzyme-like catalyst. Density functional theory (DFT) calculations reveal that the bridged Cu-O-Cu structure within C₂N exhibits strong electronic coupling, which is favorable for methanol formation. Two competing mechanisms—the concerted and radical-rebound pathways—were systematically investigated, with the former being energetically preferred due to lower energy barriers and more stable intermediate states. Furthermore, strain engineering was employed to tune the geometric and electronic structure of the Cu-O-Cu site. Biaxial strain modulates the Cu-O-Cu bond angle, adsorption properties, and d-band center alignment, thereby selectively enhancing the concerted pathway. A volcano-like trend was observed between the applied strain and the methanol formation barrier, with 1% tensile strain yielding the overall energy barrier to methanol formation (ΔG_overall) as low as 1.31 eV. N₂O effectively regenerated the active site and demonstrated strain-responsive kinetics. The electronic descriptor Δε (ε_d − ε_p) captured the structure–activity relationship, confirming the role of strain in regulating catalytic performance. This work highlights the synergy between geometric confinement and mechanical modulation, offering a rational design strategy for advanced C1 activation catalysts. Full article