Search Results (1,622)

The MA₂Z₄ family represents a class of two-dimensional materials renowned for their outstanding mechanical properties and excellent environmental stability. By means of elemental substitution, we designed two novel phases of ScSi₂N₄, namely β₁ and β₂. Their dynamical, thermal, and mechanical stabilities were thoroughly verified through phonon dispersion analysis, ab initio molecular dynamics (AIMD) simulations, and calculations of mechanical parameters such as Young’s modulus and Poisson’s ratio. Electronic structure analysis using both PBE and HSE06 methods further revealed that both the β₁ and β₂ phases exhibit metallic behavior, highlighting their potential for battery-related applications. Based on these outstanding properties, the climbing image nudged elastic band (CI-NEB) method was employed to investigate the diffusion behavior of Li, Na, and K ions on the material surfaces. Both structures demonstrate extremely low diffusion energy barriers (Li: 0.38 eV, Na: 0.22 eV, K: 0.12 eV), indicating rapid ion migration—especially for K—and excellent rate performance. The lowest barrier for K ions (0.12 eV) suggests the fastest diffusion kinetics, making it particularly suitable for high-power potassium-ion batteries. The significantly lower barrier for Na ions (0.22 eV) compared with Li (0.38 eV) implies that both β₁ and β₂ phases may be more favorable for fast-charging/discharging sodium-ion battery applications. First-principles calculations were applied to determine the open-circuit voltage (OCV) of the battery materials. The β₂ phase exhibits a higher OCV in Li/Na systems, while the β₁ phase shows more prominent voltage for K. The results demonstrate that both phases possess high theoretical capacities and suitable OCVs. Full article

The destabilizing damage of rock structures in coal beds engineering is greatly influenced by the bearing rupture features and energy evolution laws of rock–coal assemblages with varying height ratios. In this study, we used PFC3D to create rock–coal assemblages with rock–coal height ratios of 2:8, 4:6, 6:4, and 8:2. Uniaxial compression simulation was then performed, revealing the expansion properties and damage crack dispersion pattern at various bearing phases. The dispersion and migration law of cemented strain energy zoning; the size and location of the destructive energy level and its spatiotemporal evolution characteristics; and the impact of height ratio on the load-bearing characteristics, crack extension, and evolution of multiple energies (strain, destructive, and kinetic energies) were all clarified with the aid of a self-developed destructive energy and strain energy capture and tracking Fish program. The findings indicate that the assemblage’s elasticity modulus and compressive strength slightly increase as the height ratio increases, that the assemblage’s cracks begin in the coal body, and that the number of crack bands inside the coal body increases as the height ratio increases. Also, the phenomenon of crack bands penetrating the rock through the interface between the coal and rock becomes increasingly apparent. The total number of cracks, including both tensile and shear cracks, decreases as the height ratio increases. Among these, tensile cracks are consistently more abundant than shear cracks, and the proportion between the two types remains relatively stable regardless of changes in the height ratio. The acoustic emission ringing counts of the assemblage were not synchronized with the development of bearing stress, and the ringing counts started to increase from the yield stage and reached a peak at the damage stage (0.8${\sigma }_{\mathrm{c}}$) after the peak of bearing stress. The larger the rock–coal height ratio, the smaller the peak and the earlier the timing of its appearance. The main body of strain energy accumulation was transferred from the coal body to the rock body when the height ratio exceeded 1.5. The peak values of the assemblage’s strain energy, destructive energy, and kinetic energy curves decreased as the height ratio increased, particularly the energy amplitude of the largest destructive energy event. In order to prevent and mitigate engineering disasters during deep mining of coal resources, the research findings could serve as a helpful reference for the destabilizing properties of rock–coal assemblages. Full article

Regulating tumor invasion and metastasis is pivotal for improving cancer patient prognosis. While cell migration is a key factor in these processes, the non-targeted effects of chemoradiotherapy on cell motility remain poorly understood. In this study, we employed HeLa-FUCCI cells—a cervical cancer-derived HeLa cell line integrated with the Fluorescent Ubiquitination-Based Cell Cycle Indicator (FUCCI) probe, enabling the visualization of cell cycle phases—to investigate the radiation-induced impacts, including non-targeted effects, on cell migration. To create irradiated (In-field) and non-irradiated (out-of-field) regions, half of the culture dish was shielded with a lead block during irradiation. Cells were then exposed to 2 Gy X-rays, with or without cisplatin. Following irradiation, the cells were subjected to time-lapse imaging at 15 min intervals for 24 h, and the acquired data were analyzed using cell segmentation and tracking algorithms, Cellpose 2.0 and TrackMate 7. Without cisplatin, the migration velocity and total distance traveled of Out-of-field cells were significantly reduced compared to controls, suggesting a suppressive bystander signal. In contrast, with cisplatin treatment, these parameters significantly increased in both In-field and Out-of-field cells. This suggests that chemoradiotherapy may inadvertently enhance tumor cell motility outside the target volume, a critical finding with significant implications for therapeutic outcomes. Full article

Unconventional oil reservoirs are tight and often host micro-nano pores, and huff and puff is usually adopted for such reservoirs, mainly utilizing the mechanism of spontaneous imbibition. The penetration depth into the matrix during imbibition is one of the key influencing factors of oil recovery. In circumstances where a water phase is present in the reservoir, the injected oil displacement agent may not directly contact the oil phase, but instead needs to diffuse and migrate to the oil–water interface to adjust the capillary force, thereby affecting the imbibition depth. Therefore, the diffusion law of the oil displacement agent can indirectly affect the oil recovery by imbibition. In this study, microfluidic experiments were conducted to investigate the diffusion of nano oil displacement agents at different pore sizes (100 μm). The results show that the concentration distribution of nano oil displacement agents near the injection end was uniform during the diffusion process, and the concentration showed a decreasing trend with increasing depth. As the pore size decreased, the diffusion coefficient also decreased, and the diffusion effect deteriorated. There was a lower limit of pore size that allowed diffusion at approximately 15.66 μm. The diffusion law of the nano oil displacement agent in porous media obtained in this study is of great significance for improving the recovery rate of unconventional oil and gas resources. Full article

Alteration is a common metamorphic process in igneous formations and recorded geological information in different times and spaces. Owing to its unique location, the igneous rocks of the buried hills in the northern South China Sea exhibit complex lithology and alteration patterns resulting from multi-phase tectonic, magmatic, and climatic influences. Here, we report buried hills igneous rock samples with both hydrothermal alteration and weathering leaching. Based on multi-scale geophysical–chemical data—including scanning electron microscopy, core slice identification, petrophysical–chemical experiments, zircon dating, wireline logs, element cutting logs, seismic profiles, and others—we analyzed the multi-scale alteration characteristics of buried hills igneous rocks and proposed a four-stage alteration model related to Earth activities. Results demonstrate that tectonic movements develop continuous cracks enabling hydrothermal alteration, while burial-hill uplift facilitates weathering leaching. We further find that multi-phase tectonic movements and associated magmatic activities not only influence global hydrothermal cycles but also govern elemental migration patterns, driving distinct alteration mechanisms in these igneous rocks—including plagioclase metasomatism, hornblende replacement, and carbonate dissolution. Additionally, we identify the Cretaceous arid–cold climate as the primary controller for generating chlorite-dominated hydrothermal alteration products. These multi-scale alteration characteristics confirm Late Jurassic Pacific Plate subduction and Cretaceous South China Plate orogeny and may indicate an earlier initial expansion of the South China Sea. Full article

Background/Objectives: Vitex agnus-castus has been traditionally used to treat hormonal disorders, and recent evidence suggests its potential anticancer properties. However, its effects on gastric cancer remain unclear. Methods: This study examined the cytotoxic, apoptotic, and anti-metastatic effects of hydroalcoholic Vitex agnus-castus seed extract in gastric cancer cells. Antioxidant capacity (DPPH, ABTS) and total phenolic and flavonoid contents were analyzed. Cytotoxicity was assessed using the MTT assay in HGC27, MKN45, and AGS gastric cancer cell lines and CCD-1072Sk fibroblasts. Apoptosis, mitochondrial membrane potential (MMP), and cell cycle changes were evaluated via Annexin V-FITC/PI, Rhodamine 123, and PI staining, respectively. RT-qPCR and gene enrichment analyses were conducted to investigate the molecular mechanisms. Apoptosis-related protein expression was analyzed through enzyme-linked immunosorbent assay (ELISA). Results: The extract exhibited high antioxidant activity and a significant phenolic and flavonoid content. It reduced cell viability in a dose-dependent manner in gastric cancer cells, while exerting low toxicity in fibroblasts. It significantly increased apoptosis, induced G0/G1-phase cell cycle arrest, upregulated pro-apoptotic genes (CASP3, CASP7, TP53, BCL2L11), and downregulated anti-apoptotic genes (XIAP, NOL3). Gene enrichment analysis highlighted pathways like apoptosis, necrosis, and cysteine endopeptidase activity. The extract also disrupted MMP, inhibited migration and spheroid formation, suppressed EMT markers (SNAIL, SLUG, TWIST1, N-CADHERIN), and upregulated E-CADHERIN. The expression of Caspase 3 and Bax proteins increased and Bcl2 protein decreased. Conclusions: These findings suggest that Vitex agnus-castus seed extract exerts strong anticancer effects in gastric cancer cells by promoting apoptosis, reducing proliferation, and inhibiting migration. Further studies are warranted to explore its clinical relevance. Full article

This report presents the first complete natal dispersal trajectory of a female Montagu’s Harrier Circus pygargus, tracked in real time from fledging to first breeding using high-resolution continuous Global Positioning System (GPS) telemetry. The bird’s first flight occurred on 26 July 2024, initiating a 31-day post-fledging dependence phase (PFDP), followed by a 23-day pre-migratory phase (PMP), during which it explored areas up to 280.8 km from the nest and eventually settled ca. 190 km away in the Sirente-Velino Regional Park. From there, autumn migration began on 18 September 2024. The bird reached its first wintering site in Mali by 15 October. It used four wintering areas over 178 days, with a winter home range of 37,615.02 km². Spring migration started on 11 April 2025 and lasted 21 days, ending with arrival in the Gran Sasso e Monti della Laga National Park (Central Italy) on 2 May. The bird used two main sites during the pre-breeding phase (PRBP) before laying eggs on 2 June 2025. The natal dispersal distance, from birthplace to nest site, was 151.28 km. Over 311 days, it covered a total of 14,522.23 km. These findings highlight the value of advanced telemetry in revealing early-life movement ecology and are useful for understanding species-specific patterns of survival, reproduction, and space use and can inform conservation actions. Full article

Breast cancer (BC) progression appears to be significantly influenced by the diabetic microenvironment, characterised by hyperglycaemia and hyperinsulinemia, though the exact cellular mechanisms remain partly unclear. This study investigated the effects of exposure to supra-physiological levels of glucose and insulin on two distinct BC cell models: hormone-responsive MCF-7 cells and triple-negative MDA-MB-231 cells. To evaluate the effects triggered by high insulin level in different BC cell subtypes, we analysed the activation status of PI3K/AKT and MAPK pathways, cell proliferation, cell distribution in cell cycle phases and cell migration. High insulin level significantly activates the insulin metabolic pathway via AKT phosphorylation in both cell lines while inducing pro-proliferative stimulus and modulation of cell distribution in cell cycle phases only in the hormone-responsive MCF-7 cell line. On the contrary, high-glucose containing medium alone did not modulate proliferation nor further increased it when combined with high insulin level in both the investigated cell lines. However, following insulin treatment, the MAPK pathway remained unaffected, suggesting that the proliferation effects in the MCF-7 cell line are mediated by AKT activation. This linkage was also demonstrated by AKT phosphorylation blockade, driven by the AKT inhibitor MK-2206, which negated the proliferative stimulus. Interestingly, while MDA-MB-231 cells, following chronic hyperinsulinemia exposure, did not exhibit enhanced proliferation, they displayed a marked increase in migratory behaviour. These findings suggest that chronic hyperinsulinemia, but not hyperglycaemia, exerts subtype-specific effects in BC, highlighting the potential of targeting insulin pathways for therapeutic intervention. Full article

The development of high-performance solid electrolytes is critical to advancing solid-state lithium-ion batteries (SSBs), with lithium lanthanum zirconium oxide (LLZO) emerging as a leading candidate due to its chemical stability and wide electrochemical window. In this study, we systematically investigated the effects of cation dopants, including aluminum (Al³⁺), tantalum (Ta⁵⁺), gallium (Ga³⁺), and rubidium (Rb⁺), on the structural, electronic, and ionic transport properties of LLZO using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. It appeared that, among all simulated results, Al-LLZO exhibits the highest ionic conductivity of 1.439 × 10⁻² S/cm with reduced activation energy of 0.138 eV, driven by enhanced lithium vacancy concentrations and preserved cubic-phase stability. Ta-LLZO follows, with a conductivity of 7.12 × 10⁻³ S/cm, while Ga-LLZO and Rb-LLZO provide moderate conductivity of 3.73 × 10⁻³ S/cm and 3.32 × 10⁻³ S/cm, respectively. Charge density analysis reveals that Al and Ta dopants facilitate smoother lithium-ion migration by minimizing electrostatic barriers. Furthermore, Al-LLZO demonstrates low electronic conductivity (1.72 × 10⁻⁸ S/cm) and favorable binding energy, mitigating dendrite formation risks. Comparative evaluations of radial distribution functions (RDFs) and XRD patterns confirm the structural integrity of doped systems. Overall, Al emerges as the most effective and economically viable dopant, optimizing LLZO for scalable, durable, and high-conductivity solid-state batteries. Full article

The identification of unmarked graves is important in archaeology, forensics, and cemetery management, but invasive methods are often restricted due to ethical or cultural concerns. This necessitates the use of non-invasive geophysical techniques. Our study demonstrates the potential of induced polarization (IP) imaging as a non-invasive remote sensing technique specifically suited for detecting and characterizing unmarked graves. IP leverages changes in the electrical properties of soil and pore water, influenced by the accumulation of organic matter from decomposition processes. Measurements were conducted at an inactive cemetery using non-invasive textile electrodes to map a documented grave from the early 1990s, with a survey design optimized for high spatial resolution. The results reveal a distinct polarizable anomaly at a 0.75–1.0 m depth with phase shifts exceeding 12 mrad, attributed to organic carbon from wooden burial boxes, and a plume-shaped conductive anomaly indicating the migration of dissolved organic matter. While electrical conductivity alone yielded diffuse grave boundaries, the polarization response sharply delineated the grave, aligning with photographic documentation. These findings underscore the value of IP imaging as a non-invasive, data-driven approach for the accurate localization and characterization of graves. The methodology presented here offers a promising new tool for archaeological prospection and forensic search operations, expanding the geophysical toolkit available for remote sensing in culturally and legally sensitive contexts. Full article

This study presents the development of Cu-doped NiMo/TiO₂ photoelectrocatalysts for simultaneous green hydrogen production and pharmaceutical pollutant removal under simulated solar irradiation. The catalysts were synthesized via wet impregnation (15 wt.% total metal loading with 0.6 wt.% Cu) and thermally treated at 400 °C and 900 °C to investigate structural transformations and catalytic performance. Comprehensive characterization (XRD, BET, SEM, XPS) revealed phase transitions, enhanced crystallinity, and redistribution of redox states upon Cu incorporation, particularly the formation of NiTiO₃ and an increase in oxygen vacancies. Crystallite sizes for anatase, rutile, and brookite ranged from 21 to 47 nm at NiMoCu400, while NiMoCu900 exhibited only the rutile phase with 55 nm crystallites. BET analysis showed a surface area of 44.4 m²·g⁻¹ for NiMoCu400, and electrochemical measurements confirmed its higher electrochemically active surface area (ECSA, 2.4 cm²), indicating enhanced surface accessibility. In contrast, NiMoCu900 exhibited a much lower BET surface area (1.4 m²·g⁻¹) and ECSA (1.4 cm²), consistent with its inferior photoelectrocatalytic performance. Compared to previously reported binary NiMo/TiO₂ systems, the ternary NiMoCu/TiO₂ catalysts demonstrated significantly improved hydrogen production activity and more efficient photoelectrochemical degradation of paracetamol. Specifically, NiMoCu400 showed an anodic peak current of 0.24 mA·cm⁻² for paracetamol oxidation, representing a 60% increase over NiMo400 and a cathodic current of −0.46 mA·cm⁻² at −0.1 V vs. RHE under illumination, nearly six times higher than the undoped counterpart (–0.08 mA·cm⁻²). Mott–Schottky analysis further revealed that NiMoCu400 retained n-type behavior, while NiMoCu900 exhibited an unusual inversion to p-type, likely due to Cu migration and rutile-phase-induced realignment of donor states. Despite its higher photosensitivity, NiMoCu900 showed negligible photocurrent, confirming that structural preservation and surface redox activity are critical for photoelectrochemical performance. This work provides mechanistic insight into Cu-mediated photoelectrocatalysis and identifies NiMoCu/TiO₂ as a promising bifunctional platform for integrated solar-driven water treatment and sustainable hydrogen production. Full article

This study systematically investigates the homogenization-induced Laves phase dissolution kinetics and recrystallization mechanisms in laser powder bed fusion (L-PBF) processed IN718 superalloy. The as-built material exhibits a characteristic fine dendritic microstructure with interdendritic Laves phase segregation and high dislocation density, featuring directional sub-grain boundaries aligned with the build direction. Laves phase dissolution demonstrates dual-stage kinetics: initial rapid dissolution (0–15 min) governed by bulk atomic diffusion, followed by interface reaction-controlled deceleration (15–60 min) after 1 h at 1150 °C. Complete dissolution of the Laves phase is achieved after 3.7 h at 1150 °C. Recrystallization initiates preferentially at serrated grain boundaries through boundary bulging mechanisms, driven by localized orientation gradients and stored energy differentials. Grain growth kinetics obey a fourth-power time dependence, confirming Ostwald ripening-controlled boundary migration via grain boundary diffusion. Such a study is expected to be helpful in understanding the microstructural development of L-PBF-built IN718 under heat treatments. Full article

Cellulose acetate (CA), commercially produced from natural cellulose, is one of the promising candidates to solve the microplastic issue. In this study, attempts were made to prepare CA microparticles by means of melt extrusion of incompatible polymer blends comprising CA with plasticizer (triacetin (TA)) and polyvinyl alcohol (PVA) followed by selective removable of TA and PVA. As implied by semi-theoretical equation previously established by Wu (Wu’s equation), particle size decreased with increasing shear rate or decreasing viscosity ratio of polymers. CA microparticles with a controlled size of 2–8 μm, narrow particle size distribution, and smooth surface were successfully obtained. Efforts were made to determine the numerical solution of Wu’s equation to compare them with observed particle size. To this end, interfacial tension between dispersed and matrix phases to be incorporated in the equation was determined by group contribution methods. The root mean squared error (RMSE) between the observed and calculated particle size was unsatisfactorily large, 4.46 μm. It was found that one of the possible reasons for the limited prediction accuracy was migration of TA from the dispersed to matrix phase affecting the viscosity ratio. Further efforts will be required to achieve a better prediction. Full article

Edge computing (EC) plays a critical role in advancing the next-generation Industrial Internet of Things (IIoT) by enhancing production, maintenance, and operational outcomes across heterogeneous network boundaries. This study builds upon EC intelligence and integrates graph-based learning to propose a Cross-Layer Controller Tasking Scheme (CLCTS). The scheme operates through two primary phases: task grouping assignment and cross-layer control. In the first phase, controller nodes executing similar tasks are grouped based on task timing to achieve monotonic and synchronized completions. The second phase governs controller re-tasking both within and across these groups. Graph structures connect the groups to facilitate concurrent tasking and completion. A learning model is trained on inverse outcomes from the first phase to mitigate task acceptance errors (TAEs), while the second phase focuses on task migration learning to reduce task prolongation. Edge nodes interlink the groups and synchronize tasking, migration, and re-tasking operations across IIoT layers within unified completion periods. Departing from simulation-based approaches, this study presents a fully implemented framework that combines learning-driven scheduling with coordinated cross-layer control. The proposed CLCTS achieves an 8.67% reduction in overhead, a 7.36% decrease in task processing time, and a 17.41% reduction in TAEs while enhancing the completion ratio by 13.19% under maximum edge node deployment. Full article

This review surveys recent advances and emerging prospects in phase-transfer catalysis (PTC) for fuel desulfurization. In response to increasingly stringent environmental regulations, the removal of sulfur from transportation fuels has become imperative for curbing SO_x emissions. Conventional hydrodesulfurization (HDS) operates under severe temperature–pressure conditions and displays limited efficacy toward sterically hindered thiophenic compounds, motivating the exploration of non-hydrogen routes such as oxidative desulfurization (ODS). Within ODS, PTC offers distinctive benefits by shuttling reactants across immiscible phases, thereby enhancing reaction rates and selectivity. In particular, PTC enables efficient migration of organosulfur substrates from the hydrocarbon matrix into an aqueous phase where they are oxidized and subsequently extracted. The review first summarizes the deployment of classic PTC systems—quaternary ammonium salts, crown ethers, and related agents—in ODS operations and then delineates the underlying phase-transfer mechanisms, encompassing reaction-controlled, thermally triggered, photo-responsive, and pH-sensitive cycles. Attention is next directed to a new generation of catalysts, including quaternary-ammonium polyoxometalates, imidazolium-substituted polyoxometalates, and ionic-liquid-based hybrids. Their tailored architectures, catalytic performance, and mechanistic attributes are analyzed comprehensively. By incorporating multifunctional supports or rational structural modifications, these systems deliver superior desulfurization efficiency, product selectivity, and recyclability. Despite such progress, commercial deployment is hindered by the following outstanding issues: long-term catalyst durability, continuous-flow reactor design, and full life-cycle cost optimization. Future research should, therefore, focus on elucidating structure–performance relationships, translating batch protocols into robust continuous processes, and performing rigorous environmental and techno-economic assessments to accelerate the industrial adoption of PTC-enabled desulfurization. Full article