Search Results (4,807)

Addressing global energy and environmental issues calls for the development of effective photocatalysts capable of enabling solar-driven water splitting, a key route toward sustainable hydrogen generation. In this work, we conducted a detailed density functional theory (DFT) study on three bilayer van der Waals (vdW) heterojunctions, Ga₂SSe/GaP, Ga₂SSe/PtSSe, and Ga₂SSe/SnSSe, each explored in four distinct stacking configurations, with Ga₂SSe serving as the base monolayer. We assessed their structural stability, electronic properties, and optical responses to determine their suitability for photocatalytic water splitting. The analysis showed that Ga₂SSe/GaP and Ga₂SSe/SnSSe exhibit type-II band alignment, while Ga₂SSe/PtSSe displays a type-I alignment. Electrostatic potential profiles and Bader charge calculations identified SeGa₂S/SSnSe and SeGa₂S/SeSnS as direct Z-scheme systems, offering efficient charge carrier separation and robust redox potential. For effective water splitting, the band edges must straddle the water redox potentials. Our results indicate that configurations A and B in Ga₂SSe/GaP, along with C and D in Ga₂SSe/SnSSe, fulfill this requirement. These four configurations also exhibit strong absorption in both the visible and ultraviolet spectral ranges. Notably, configurations C and D of Ga₂SSe/SnSSe achieve high solar-to-hydrogen (STH) efficiencies, reaching 38.44% and 21.75%, respectively. Overall, our findings suggest that these direct Z-scheme heterostructures are promising candidates for water splitting photocatalysis. Full article

Background/Objectives: Although people with schizophrenia appear to experience emotions like healthy individuals, previous studies suggest that their ability to engage in empathic emotional responses might be impaired. As per our knowledge, no studies in the Arab world have investigated empathy in patients with schizophrenia, which is likely due to the lack of valid and reliable measures to assess the empathy construct among Arabic-speaking people. The aim of this research is to validate the Arabic version of the Pictorial Empathy Test (PET) in patients with schizophrenia from Lebanon. Methods: A two-month cross-sectional study was carried out at the Psychiatric Hospital of the Cross during January and February of 2024. The average age of the 113 participants in this study was 57.52 ± 10.35 years and 63.5% of them were men. Data were collected through in-person interviews. A confirmatory factor analysis (CFA) was conducted using SPSS AMOS version 29. Parameter estimation utilized the maximum likelihood approach. In order to examine sex invariance in PET scores, a multi-group CFA was conducted. Measurement invariance was assessed across configural, metric, and scalar levels. Evidence of invariance was determined based on the criteria: ΔCFI ≤ 0.010, ΔRMSEA ≤ 0.015, or ΔSRMR ≤ 0.010. Results: CFA revealed that the Arabic PET exhibited a unidimensional factor structure. The PET demonstrated solid internal consistency (ω = 0.93, α = 0.93). Measurement invariance testing confirmed that the scale performed equally well across sexes. A linear regression analysis found that female sex and higher levels of alexithymia were significantly correlated with lower levels of affective empathy. Conclusions: The findings indicate that the Arabic version of the PET is a reliable and valid tool for measuring affective empathy in Arabic-speaking patients with schizophrenia. The culturally adapted and validated Arabic PET would help detect affective empathy deficits, design and implement context-tailored interventions, and encourage future research in this area in the Arab region. Future research should aim to validate the PET against behavioral tasks like the Empathic Accuracy Task to improve its ecological validity. Full article

Space debris is an increasingly severe problem in the space industry. According to projections, the number of satellites will increase from the current 10,000 to 100,000 by 2030, specially in LEO orbits. This significant rise in the number of satellites threatens space sustainability, forcing satellites to perform more maneuvers to avoid impacts or leading to the production of more and more space debris due to collisions (Kessler Syndrome). Consequently, substantial efforts have been made to detect and track space debris, leading to the development of the current catalogs. However, with existing technology, detecting and tracking small debris remains challenging. In order to improve the current system, several proposals of Space-Based Situational Awareness (SBSA) have been made. These proposals involve satellites equipped with telescopes to detect space debris and determine their orbits. Unlike prior works, focused primarily on detection rates, this research aims to quantify their accuracy in orbit determination as a function of observation duration, the number of observers, and sensor precision. The Unscented Kalman Filter (UKF) is employed as the core estimation algorithm, leveraging both simulated single-case analyses and Monte Carlo simulations to evaluate system performance under various configurations and uncertainties. The results indicate that a constellation of at least three observers with high-precision instruments and sub-kilometer positioning accuracy can reliably estimate debris orbits within an observation period of 4–7 min, with the mean error in position and velocity obtained being 2.2–3 km and 3–4 m/s, respectively. These findings offer critical insights for designing future SBSA constellations and optimizing their operational parameters to address the growing challenge of orbital debris. Full article

In this work, we employ the Darmois–Israel thin-shell formalism to construct both static and dynamic thin-shell configurations surrounding traversable wormholes. Initially, using the cut-and-paste technique, we perform a linearized stability analysis in the presence of a general cosmological constant. Our results show that for sufficiently large positive values of the cosmological constant—corresponding to the Schwarzschild–de Sitter geometry—the stability regions of the wormhole solutions are significantly enhanced compared to the Schwarzschild case. Subsequently, we construct static thin-shell solutions by matching an interior wormhole geometry to an exterior vacuum spacetime across a junction surface. In the spirit of minimizing the presence of exotic matter, we identify parameter domains in which the null and weak energy conditions are satisfied at the shell. We examine the surface stress-energy components in detail, determining regions where the tangential surface pressure is either positive or negative, interpreted, respectively, as the pressure or surface tension. Additionally, an expression describing the behavior of the radial pressure across the junction is derived. Finally, we determine key geometrical characteristics of the wormhole, including the throat radius and the junction interface radius, by imposing traversability conditions. Estimates for the traversal time and required velocity are also provided, further elucidating the physical viability of these configurations. Full article

Electrochemical sensors have been developed based on polyethylene terephthalate track-etched membranes (PET TeMs) modified by photograft copolymerization of N-vinylformamide (N-VFA) and trimethylolpropane trimethacrylate (TMPTMA). The modification, structure and properties of the modified PET TeMs were thoroughly characterized using scanning electron microscopy (SEM) and atomic force microscopy (AFM), thermogravimetric analysis (TGA), Fourier-transform infrared (FTIR) spectroscopy, gas permeability measurements and contact angle analysis. Optimal membrane modification was achieved using C = 10% (N-VFA), 60 min of UV irradiation and a UV lamp distance of 10 cm. Furthermore, the modified membranes were implemented in a two-electrode configuration for the determination of Eu³⁺, Gd³⁺, La³⁺ and Ce³⁺ ions via square-wave anodic stripping voltammetry (SW-ASV). The sensors exhibited a linear detection range from 10⁻⁷ M to 10⁻³ M, with limits of detection of 1.0 × 10⁻⁶ M (Eu³⁺), 6.0 × 10⁻⁶ M (Gd³⁺), 2.0 × 10⁻⁴ M (La³⁺) and 2.5 × 10⁻⁵ M (Ce³⁺). The results demonstrated a significant enhancement in electrochemical response due to the grafted PET TeMs-g-N-PVFA-TMPTMA structure, and the sensor showed practical applicability and consistent performance in detecting rare earth ions in tap water. Full article

d-Tagatose, classified as a rare sugar, exhibits notable biological activities, including its function as a low-calorie sweetener. The three-dimensional configuration of carbohydrates is crucial for elucidating their functional properties. Numerous studies have reported the X-ray crystallographic structures of d-tagatose and its derivatives bearing a free anomeric hydroxy group. However, there are no reports on the X-ray crystallographic structure of d-tagatosides featuring a glycosidic linkage at the anomeric position. In this study, we synthesized methyl α-d-tagatopyranoside from d-tagatose and successfully determined its X-ray crystallographic structure, revealing its ⁵C₂ conformation. Full article

In this study, we present analysis of TESS photometry, spectral energy distribution (SED), high-resolution spectroscopy, and spot modeling of the ${\alpha }^2$ CVn-type star AL Col (HD 46462). The primary objective is to determine its fundamental physical parameters and investigate its surface activity characteristics. Using TESS short-cadence (120 s) SAP flux, we identified a rotational frequency of 0.09655 ${\mathrm{d}}^{-1}$ ($P_{\mathrm{rot}}=10.35733$ d). Wavelet analysis reveals that while the amplitudes of the harmonic components vary over time, the strength of the primary rotational frequency remains stable. A SED analysis of multi-band photometric data yields an effective temperature ($T_{\mathrm{eff}}$) of 11,750 K. High-resolution spectroscopic observations covering wavelengthrange 4500–7000 Å provide refined estimates of $T_{\mathrm{eff}}$ = 13,814 ± 400 K, $logg$ = 4.09 ± 0.08 dex, and $\upsilon sini$ = 16 ± 1 km s⁻¹. Abundance analysis shows solar-like composition of O ii, Mg ii, S ii, and Ca ii, while helium is under-abundant by 0.62 dex. Rare earth elements (REEs) exhibit over-abundances of up to 5.2 dex, classifying the star as an Ap/Bp-type star. AL Col has a radius of $R=3.74\pm 0.48{\mathrm{R}}_{\odot }$, with its H–R diagram position estimating a mass of $M=4.2\pm 0.2{\mathrm{M}}_{\odot }$ and an age of $0.12\pm 0.01$ Gyr, indicating that the star has slightly evolved from the main sequence. The TESS light curves were modeled using a three-evolving-spot configuration, suggesting the presence of differential rotation. This star is a promising candidate for future investigations of magnetic field diagnostics and the vertical stratification of chemical elements in its atmosphere. Full article

In this study, we aimed to determine the chemical constituents of M. seguinii, which led to the isolation and identification of 26 compounds. Three new prenylated dihydrobenzofurans [myrsinoic acids I (1), J (2), and K (3)] and a new flavonoid glycoside, mearnsetin 3-O-α-L-arabinopyranoside (4), were discovered, and the absolute configuration of the known compound, myrsinoic acid B (5), was re-established. To ensure the structural accuracy of these compounds, comprehensive spectroscopic analyses were performed, including one- and two-dimensional nuclear magnetic resonance spectroscopy, mass spectrometry, and circular dichroism spectroscopy. In addition, computational analysis methods such as density functional theory (DFT)-based Electronic Circular Dichroism (ECD) simulations and Gauge-Including Atomic Orbitals (GIAOs) ¹H and ¹³C NMR chemical shift calculations with DP4+ probability analysis were utilised to further support the structural assignments. Full article

The objective of this manuscript is to describe the iterative user-centered development of the Mobile Device Assessment Tool (MoDAT) and to present early usability results involving persons with disabilities and assistive technology (AT) professionals. Smartphones have become a ubiquitous tool for use in everyday life. However, there are limited tools and resources available for AT providers to assess the needs of persons with disabilities in using smartphones. The MoDAT is being developed to help determine the most effective accessibility and AT options for smartphone use by individuals with functional limitations. A user-centered approach has been implemented, including preliminary guidance by advisory committees, focus groups, and usability testing by persons with disabilities and providers who recommend AT solutions. This process has guided the development of a pilot system that can generate personalized recommendations on smartphone device setup and configuration. The MoDAT consists of a series of simulated typical tasks completed on a smartphone application. Individuals complete these tasks to assess their functional capacity, with data regarding their performance gathered and sent to the provider portal. Data is securely stored in the portal for review to help determine accessibility settings and AT that may improve smartphone use. These results and the iterative process are described in this manuscript. Future research will focus on establishing the psychometric properties of the MoDAT as an assessment tool and outcomes. Full article

Currently, wind turbines utilize doubly fed induction machines that incorporate a frequency converter in the rotor circuit to manage slip energy. This setup ensures a stable voltage amplitude and frequency that align with the alternating current. It is crucial to accurately determine the parameters of the equivalent circuit from the rotor side of the vector control system of the frequency converter. The objective of this study is to develop a method for the preliminary identification of the doubly fed induction machines parameters by analyzing the rotor current decay curves using Newton’s method. The numerical estimates of the equivalent circuit parameters a doubly fed induction machines with a fixed short-circuited rotor are obtained during the validation of the results on a real plant. It is along with the integral errors of deviation between the experimental rotor current decay curve and the response of the adaptive regression model. The integral errors do not exceed 4% in nearly all sections of the curves. It is considered acceptable in engineering practice. The developed algorithm for the preliminary identification for the parameters of the doubly fed induction machines substitution scheme can be applied with the configuring machines control systems, including a vector control system. Full article

In HPC systems, job scheduling plays a critical role in determining resource allocation and task execution order. With the continuous expansion of computing scale and increasing system complexity, modern HPC scheduling faces two major challenges: a massive decision space consisting of tens of thousands of computing nodes and a huge job queue, as well as complex temporal dependencies between jobs and dynamically changing resource states.Traditional heuristic algorithms and basic reinforcement learning methods often struggle to effectively address these challenges in dynamic HPC environments. This study proposes a novel scheduling framework that combines GTrXL with PPO, achieving significant performance improvements through multiple technical innovations. The framework leverages the sequence modeling capabilities of the Transformer architecture and selectively filters relevant historical scheduling information through a dual-gate mechanism, improving long sequence modeling efficiency compared to standard Transformers. The proposed SECT module further enhances resource awareness through dynamic feature recalibration, achieving improved system utilization compared to similar attention mechanisms. Experimental results on multiple datasets (ANL-Intrepid, Alibaba, SDSC-SP2) demonstrate that the proposed components achieve significant performance improvements over baseline PPO implementations. Comprehensive evaluations on synthetic workloads and real HPC trace data show improvements in resource utilization and waiting time, particularly under high-load conditions, while maintaining good robustness across various cluster configurations. Full article

Against the background of carbon emission reduction, this paper explores the driving factors of carbon footprint knowledge system toughness for building construction enterprises through the theory of constraints (TOC) and optimises the carbon footprint knowledge system toughness under static and dynamic perspectives, respectively. Under the static perspective, the fuzzy set qualitative comparative analysis method (fsQCA) is used to explore the development path of the carbon footprint knowledge system toughness for building construction enterprises, and the study finds three kinds of grouping paths. Under the dynamic perspective, system dynamics is used to analyse the causality of the driving factors of the carbon footprint knowledge system toughness and draw the causality diagram. The stock flow diagram is drawn according to the relationship between the factors, and G1 method is combined with the expert distribution to determine the weight of each factor, and then, the model equation is established to complete the construction of the system dynamics of the carbon footprint knowledge system toughness based on the control variable method of the four capabilities under the influence of the factors to simulate the comparison and to explore the extent of the influence of different factors on the carbon footprint knowledge system toughness. Through the two-dimensional analysis framework, we provide an integrated solution for path selection and dynamic regulation for building construction enterprises to help them achieve the adaptive optimisation of the carbon footprint knowledge system and promote the low-carbon transformation and sustainable development of the construction industry. Qualitative results show that three configuration paths affect resilience, with core factors including management, emission, predictive, and construction capabilities. Quantitative results indicate fsQCA overall consistency (0.861) and coverage (0.808); system dynamics simulation shows that management capability has the highest impact weight (0.355). Full article

The mechanical behavior of dental composites depends on the sample size and stress configuration. This makes it difficult to extrapolate laboratory data to clinical restorations with significant variations in size and geometry. Intrinsic parameters, such as fracture toughness, are therefore of great importance, even if they are less common and more difficult to measure. The aim of this study was to apply principles of fractography and fracture mechanics to exploit the results obtained from a three-point bending test. The objectives include calculating a material-specific constant, validating the experimental findings, and establishing a correlation with fracture toughness. Forty representative composites with wide variation in filler quantity (65–83% by weight and 46.4–64% by volume), type (compact glasses and pre-polymerized), and composition were examined. Fracture toughness/K_Ic was evaluated in a notchless triangular prism test. Fracture type, origin, and mirror size were determined on 280 flexural fracture specimens (n = 20). The amount of filler strongly influences all measured parameters, with the effect strength varying in the sequence: mechanical work (η_P² = 0.995), modulus of elasticity (η_P² = 0.991), flexural strength (η_P² = 0.988), fracture toughness (η_P² = 0.979), and mirror constant (η_P² = 0.965). Fracture surfaces allowed the delineation of the fracture mirror and the application of fracture mechanics approaches. The mirror constant was derived from the radius of the fracture mirror, measured in the direction of constant stress, using Orr’s equation, and correlates well with K_Ic (0.81). Larger confidence intervals were observed for the mirror constant data, while for 5 of 14 materials, the mirror constant was overestimated compared to K_Ic. The overestimation was attributed to the lower refractive index of the urethane methacrylate composition. Full article

Inspired by naturally occurring bis-isochromans such as penicisteckins, we envisaged the first synthesis of biaryl-type bis-1-arylisochromans containing a stereogenic ortho-trisubstituted biaryl axis. We achieved the stereoselective synthesis of 5,5′-linked heterodimeric bis-isochromans containing both central and axial chirality elements by performing diastereoselective Suzuki–Miyaura biaryl coupling reactions on two optically active 1-arylpropan-2-ol derivatives, followed by two oxa-Pictet–Spengler cyclizations with aryl aldehydes or methoxymethyl chloride. We studied the diastereoselectivity of the cyclization step, separated the stereoisomeric products with chiral preparative HPLC and determined the absolute configuration through a combination of vibrational circular dichroism (VCD), NMR and single-crystal X-ray diffraction analysis. We demonstrated that different aryl groups could be introduced into the two isochroman subunits, since the dimethoxyaryl subunit reacted faster, enabling the two oxa-Pictet–Spengler cyclizations to be performed separately with different aryl aldehydes. We also explored the acid-catalyzed isomerization and oxidation to axially chiral ortho-quinones in order to produce stereoisomeric and oxidized analogs, respectively. We identified the antibacterial activity of our target bis-isochromans against Bacillus subtilis and Enterococcus faecalis with minimum inhibitory concentrations down to 4.0 and 0.5 μg/mL, respectively, which depend on the stereochemistry and substitution pattern of the bis-isochroman skeleton. Full article

The vortex generator is extensively utilized to enhance the air-side flow and heat transfer in compact heat exchangers, attributed to its high efficiency and low friction factor. This paper contains an innovative design of biomimetic vortex generators (BVGs), characterized by a distinct variable curvature and orientation. The curvatures and orientations, serving as key parameters for this innovative design, were collaboratively optimized using a combination of the response surface method and the non-dominated sorting genetic algorithm II, while the friction factor and Colburn factor serve as objective functions. The research findings indicate that the use of BVGs significantly reduces the friction factor, and the optimal curvature parameters for various orientations have been determined. The enhanced heat transfer mechanism associated with BVGs is attributed to their capacity to generate multiple longitudinal vortex structures downstream, with analogous secondary flow structures forming across different orientations. A comprehensive evaluation metric reveals that BVGs achieve an improvement exceeding 50% in performance compared to other high-performance vortex generators. These findings introduce an entirely novel configuration for vortex generators, which is anticipated to significantly advance the development of flow and heat transfer enhancement in compact heat exchangers. Full article