Search Results (9,151)

Glycosylphosphatidylinositol (GPI) anchored wall transfer protein 1 (GWT1), a fungal-specific inositol acyltransferase, catalyzes the palmitoylation of GlcN-PI in GPI-anchor biosynthesis, crucial for mannoprotein trafficking and attachment, which are vital for cell wall integrity, biofilm formation, and virulence. More than 60,000 AI-generated molecules produced using REINVENT4 were screened using ADMET-AI and GNINA. DeepSA and PharmacoNet were used to select synthesizable and pharmacophorically rich molecules. The dynamic behaviour was explored using molecular dynamics (MD). Finally, molecular reactivity was assessed using density functional theory (DFT). After ADMET filtering, 6,190 compounds were docked against GWT1, of which 315 showed better predicted binding energies than the co-crystal ligand. DeepSA identified 105 readily synthesizable candidates, and PharmacoNet retained 32 compounds with favourable pharmacophoric features, from which four final candidates (AF_M1, AF_M2, AF_M3, and AF_M4) were prioritized for further analysis. MD simulation suggested stable binding behavior towards GWT1. DFT analysis indicated favourable electronic properties, low HOMO-LUMO energy gaps, and stable optimized geometries. These molecules could serve as promising lead candidates and potential new therapeutic agents for invasive fungal infections, pending validation. Full article

Slump-type gravity-flow deposits are extensively developed in the Jiufotang Formation of the Naiman Sag, representing a core frontier for deep-water subtle hydrocarbon reservoir exploration. However, these deposits exhibit strong internal reservoir heterogeneity, while their diagenetic mechanisms are complex and their development pattern remains unclear. Integrating macroscopic and microscopic investigation of cores, scanning electron microscopy (SEM), micro-CT, and high-pressure mercury injection capillary pressure (MICP) data, a systematic study was conducted on the petrological characteristics and diagenesis of the gravity-flow reservoirs. The results indicate that the lithology is dominated by feldspathic lithic sandstones with low compositional maturity. The present-day reservoir quality is governed by the high spatiotemporal coupling between deposition and burial diagenesis. Compaction is the absolute dominant diagenetic factor driving the densification of these reservoirs. The strong compaction resistance, derived from a low argillaceous matrix content and a well-developed grain-supported framework, is the key to the formation of high-quality reservoirs. Furthermore, three distinct diagenetic pathways are revealed: the “high-energy freezing—rigid pore preservation” pathway controls the development of high-quality exploration sweet spots; the “shear mixing—plastic pore reduction” pathway forms low-permeability transitional reservoirs; and the “viscous suspension—compaction densification” pathway indicates widespread tight sandstone exploration targets. Full article

Water pollution caused by the continuous emergence of organic contaminants poses increasing challenges to conventional treatment technologies. Although advanced oxidation processes (AOPs) based on nanoconfined materials show great promise, their practical application remains constrained by short radical lifetimes, mass transfer limitations, and catalyst deactivation. This review systematically summarizes the critical role of nanoconfinement effects in AOPs. Through size exclusion and electrostatic regulation, confined spaces promote reactant enrichment and interference exclusion, while confined mass transfer and capillary-driven effects accelerate reaction kinetics. Particular emphasis is placed on multidimensional nanoconfined systems, ranging from zero-dimensional to three-dimensional structures and catalytic membranes, and on how structural design improves reaction microenvironments and active-site accessibility. The synergistic integration of confined structures with external fields, such as electric fields, is further discussed, highlighting their ability to regulate the electronic structure of active sites and shift reaction pathways from non-selective radical oxidation to efficient and highly selective non-radical routes. By optimizing parameters such as pH and catalyst-to-oxidant ratio, nanoconfined systems can achieve efficient pollutant degradation under near-neutral conditions while maintaining strong anti-interference capability and stability in real water matrices containing natural organic matter and inorganic ions. Full article

Hypoxia is one of the most important factors limiting the effectiveness of modern anticancer therapies, particularly photodynamic therapy (PDT). The hypoxia of the tumor microenvironment results from abnormal angiogenesis and the high metabolic demand of cancer cells, which leads to reduced oxygen availability necessary for generating reactive oxygen species (ROS). Consequently, conventional therapeutic approaches, mainly based on the type II PDT mechanism, show limited effectiveness under hypoxic conditions. In response to these limitations, strategies are being developed to increase oxygen availability within the tumor. Of particular importance are nanocarriers based on perfluorocarbons (PFCs), which, due to their high gas solubility, can effectively transport and release oxygen in the tumor microenvironment. Research indicates that the use of such systems leads to improved PDT efficiency by increasing the production of singlet oxygen and enhancing cancer cell damage. Parallelly, alternative approaches independent of high oxygen concentration, including type I photosensitizers, are being developed. Unlike classical type II mechanisms, they generate free radicals through electron transfer reactions, which allows effective action even under conditions of significant hypoxia. This approach significantly expands the possibilities of using PDT in the treatment of tumors with low oxygen levels. Current research directions focus on integrating various therapeutic strategies to achieve a synergistic effect. Hybrid systems combining oxygen delivery (e.g., using PFCs) with the use of type I photosensitizers and other treatment methods, such as chemotherapy or immunotherapy, show the greatest clinical potential. Such multifunctional approaches simultaneously allow improving tumor oxygenation and increasing the efficiency of ROS generation, which makes them a promising strategy for the future of anticancer therapies. Full article

Oxidative stress, caused by the excessive production of reactive oxygen and nitrogen species, contributes to cellular damage and chronic diseases. Fermented foods are increasingly recognized for their antioxidant properties, which are strongly influenced by microbial metabolism during fermentation. This review examines three major microbial mechanisms involved in antioxidant enhancement in fermented foods: exopolysaccharide (EPS) production, release of matrix-bound bioactive compounds, and microbial modulation of redox conditions. Microbial EPS contribute through radical scavenging and metal chelation, while microbial enzymes increase the bioavailability of phenolic compounds, peptides, and other antioxidant molecules. In addition, microbial metabolic activity influences the redox environment of fermented systems through electron-transfer processes and reducing metabolites. By integrating these complementary mechanisms, this review provides a comprehensive framework linking microbial biotransformation and redox modulation to the antioxidant properties of fermented foods, and highlights their potential for the development of functional fermented products. Full article

Background: Primary healthcare systems continue to face patient safety challenges, particularly misdiagnosis and medication errors, which contribute to preventable harm and reduced quality of care. Electronic Medical Records (EMRs) have the potential to improve clinical documentation, support decision-making, and reduce risks; however, these benefits depend on effective utilization in routine clinical practice. This study examined factors influencing EMR utilization in primary healthcare settings. Methods: A sequential explanatory mixed-methods design was conducted across 42 community health centers in one Indonesian city. Quantitative data from general practitioners were analyzed using Partial Least Squares Structural Equation Modeling (PLS-SEM) to examine the relationships among clinical workflow fit, digital health competency, governance, system capabilities, interprofessional collaboration, perceived patient engagement, and EMR utilization. Qualitative interviews were subsequently conducted to provide a contextual explanation of the quantitative findings. Results: Clinical workflow fit and digital health competency emerged as the strongest factors associated with EMR utilization. Their effects operated through interprofessional collaboration and perceived patient engagement, indicating the importance of integrating EMRs into everyday clinical workflows. Governance structures and system capabilities primarily functioned as enabling conditions rather than direct determinants of utilization. Qualitative findings further highlighted the importance of practical workflow integration, communication processes, and user competency in supporting meaningful system use. Conclusions: EMR utilization may contribute to improved care coordination, patient engagement, and service efficiency in primary healthcare settings. Strengthening workflow alignment and digital competency may help support safer and more reliable care delivery, particularly in resource-constrained environments where risks of misdiagnosis and medication errors remain significant. Full article

High-entropy alloys and the broader class of compositionally complex alloys have recently attracted significant attention as promising materials for solid-state hydrogen storage. Their potential arises not only from high configurational entropy but also from the possibility of tailoring phase composition, crystal structure, local chemical environment, and defect states that govern hydrogen sorption thermodynamics and kinetics. This review summarizes current understanding of hydrogen interaction mechanisms in HEAs and discusses the role of body-centered cubic (BCC), face-centered cubic (FCC), and Laves phases in determining hydrogen capacity, reversibility, and cyclic stability. The limitations of commonly used descriptors, including valence electron concentration (VEC), atomic size mismatch δ, enthalpy of mixing ΔH_mix, and Ω parameter, in predicting hydrogen storage behavior are critically analyzed. Particular attention is given to the effects of processing methods, phase transformations during hydrogenation/dehydrogenation, and the energetic heterogeneity of interstitial sites in multicomponent systems. The review highlights that future progress will depend on the transition from empirical alloy discovery toward physically informed multiparametric design integrating CALPHAD, DFT modeling, machine learning, and in situ/operando characterization techniques for the development of efficient and durable hydrogen storage materials. Full article

Objective: To develop and evaluate an edge-hosted Large Language Model (LLM)-assisted system for automated Neonatal Intensive Care Unit (NICU) discharge summary generation using an evidence-grounded, field-level evaluation framework. Methods: This implementation and evaluation study was conducted in a Level III NICU in India. Longitudinal patient records were constructed from integrated bedside physiologic data (ARCHITECT) and a structured electronic medical record (EMR) platform Although an embedded audio–video module was present, it was not used in this study. Automated discharge summaries were generated by MORPHEUS, an edge-hosted orchestration pipeline running on NVIDIA Jetson AGX Orin hardware with JetPack 6.2. Local orchestration, preprocessing, and workflow execution were performed on the edge device, while language generation inference was performed using the OpenAI gpt-4o-mini API. Documentation quality was assessed with an LLM-based evaluator guided by a clinician-defined rubric comprising 72 fields organized across 14 section contexts and scored on five dimensions: clinical accuracy, completeness, actionability, coherence, and non-hallucination. Paired, field-level comparisons were performed against clinician-authored summaries. Of 549 NICU admissions screened between 1 October 2024 and 3 November 2025, 401 met the inclusion criteria for evaluation. Prompt refinement was performed iteratively using omission-derived feedback without model weight updates. Results: Across 401 evaluated admissions, MORPHEUS-generated summaries demonstrated higher rubric-based scores and lower omission burden than clinician-authored summaries within the structured evaluation framework used in this study, with mean scores of 0.93 versus 0.75 for accuracy, 0.91 versus 0.67 for completeness, 0.93 versus 0.72 for actionability, 0.94 versus 0.74 for coherence, and 0.95 versus 0.78 for non-hallucination, with the largest absolute advantage observed for completeness. Error taxonomy analysis demonstrated fewer omissions, unsupported assertions, and contradictions in AI-generated summaries than in clinician-authored summaries. Iterative prompt refinement was associated with directional improvement across quality dimensions and reduced omission burden, with omission rate per patient decreasing from 2.484 to 1.807 in the later iteration. Conclusions: An edge-hosted LLM-assisted pipeline can generate NICU discharge summaries that meet or exceed clinician-authored documentation quality under a reproducible, clinician-grounded evaluation framework. These findings support the feasibility of deploying edge-orchestrated generative AI systems for high-stakes neonatal clinical documentation using a clinician-grounded field-level evaluation framework. Full article

The pervasive issue of lead contamination in water systems necessitates the development of advanced and sustainable remediation methodologies. Powdered activated carbon synthesized from Pinus roxburghii has been meticulously evaluated as a high-performance capture medium to remove sequestration of lead ions from aqueous systems through batch adsorption studies. These adsorption dynamics were optimized by Response Surface Methodology integrated with Central Composite Design, enabling precise calibration of crucial influential factors such as pH, contact time, and adsorbent dosage. Morphological analysis conducted using Scanning Electron Microscopy confirmed a highly porous structure, while Fourier Transform Infrared Spectroscopy identified functional groups, such as hydroxyl groups coupled with carbonyl groups, which exhibit strong metal affinity. Under optimal conditions, a pH of 8.2, a time of 140 min, and an adsorbent dosage of 0.03 g/L resulted in a maximum lead removal efficiency of 99.86%. Validation trials substantiated the reproducibility of the process, yielding a marginally diminished efficiency of 98.62 ± 1.24%. The integration of RSM not only validated the statistical significance of the experimental outcomes but also reinforced the predictive accuracy. This study demonstrates the critical interplay of adsorption parameters and highlights the physicochemical properties of Pinus roxburghii-based activated carbon, emphasizing its potential for advanced water purification processes. Full article

Flexible piezoelectric fibers are promising materials for next-generation wearable and flexible electronic devices due to their lightweight structure, mechanical flexibility, and electromechanical response. In this study, BaTiO₃/PVDF composite fibers were prepared by melt spinning under an electrostatic field, followed by thermal drawing to enhance the electroactive phase content. The effects of BaTiO₃ loading, draw ratio, thermal stretching ratio, stretching rate, and electric field strength on the crystalline structure of the fibers were systematically investigated. Fourier transform infrared spectroscopy, X-ray diffraction, differential scanning calorimetry, and electron microscopy were used to evaluate phase evolution, crystallinity, and filler distribution. The results showed that the processing conditions significantly influenced the transformation of PVDF from the α-phase to the electroactive β-phase. The optimized fibers were obtained at 1 wt.% BaTiO₃, a thermal stretching ratio of 5, a stretching rate of 40 mm/min, and an electric field strength of 18 kV, resulting in a crystallinity of 61.3% and a β-phase content of 95.5%. The enhanced structural characteristics indicate the strong potential of the developed composite fibers for flexible electroactive applications, though direct electromechanical characterization is required for device integration. Full article

Controlling deposition parameters is fundamental to obtaining the desired properties of cathodic arc physical vapor deposition (PVD) coatings. Achieving uniform coatings on tools with complex, sharp geometries remains a significant challenge due to localized ion flux concentration. Pulsing the substrate bias is an effective way of controlling deposition energy. However, while widely used in cathodic arc PVD, the relationship between the actual bias waveform, coating integrity on sharp tool geometries, and resulting machining performance has not been systematically established. This study investigates the effect of pulsed bias duty cycle (20% to 90%) and frequency (1 to 20 kHz) on the microstructural evolution, residual stress state, and machining performance of AlTiN coated tools. Real-time oscilloscope measurements demonstrated that system inductance and capacitance significantly distort the ideal bias waveform. Microstructural analysis via Focused Ion Beam/Scanning Electron Microscopy (FIB/SEM) cross-sectioning confirmed that all bias parameters generated a dense microstructure. While pulse frequency had no significant influence on micromechanical properties or residual stress states, the duty cycle was the dominant variable. High-energy deposition (90% duty cycle) increased hardness to 33.9 GPa but generated severe compressive residual stresses (−5.2 GPa). This extreme compressive stress led to catastrophic edge delamination on sharp solid carbide endmills. Conversely, a low-energy 20% duty cycle generated a coating with lower hardness (29.4 GPa) and a near-neutral stress state (0.5 GPa), effectively preserving the edge integrity. Unlike the endmills, the turning inserts maintained their edge integrity across all deposition conditions. During the high-speed (350 m/min) dry turning of AISI 304 stainless steel, all evaluated coatings exhibited comparable tool life and cutting forces. Wear progression was characterized by rake cratering, combined with abrasion and adhesion-induced attrition on the flank. The results indicate that tool life in this extreme environment is governed primarily by high-temperature thermo-chemical stability rather than initial room-temperature hardness. Lower-energy pulsed bias deposition therefore represents a robust strategy for coating a wide range of tool geometries, delivering equivalent high-speed machining performance while preventing stress-induced delamination on sharp features. Full article

Embedding large language model (LLM) coordinators in production electronic systems, connected vehicles, multi-robot fabrics, IoT control loops, telecommunications orchestration, demands a pre-delivery filter stage that preserves ethical guarantees under adversarial influence at deployment scale. We present a constitutional governance layer that filters compiled influence policies before they reach a heterogeneous population of grounded LLM agents whose hybrid decision model combines a game-theoretic base probability with an LLM-evaluated narrative shift attenuated by per-agent resistance. Four experiments on a Barabási–Albert scale-free network of 30 agents powered by Llama-3.3-70B-Instruct show that the filter holds an Ethical Cooperation Score (ECS) of $0.176$ (multi-seed mean $0.163$, 95% confidence interval (CI) $[0.150,0.174]$) against an unconstrained baseline of $\mathrm{ECS}=0$, enforced by a hard integrity gate ($1.000$ vs. $0.000$). We surface an autonomy paradox in which unconstrained agents resist manipulation more forcefully ($0.856$ vs. $0.728$) yet collapse to $\mathrm{ECS}=0$, establishing that system-level integrity cannot be delegated to agent-level defence. The advantage is monotonic in resistance ($+0.174$ to $+0.183$), seed-stable (Cliff’s $\delta =1.0$, complete separation), topology- and backbone-invariant across five contemporary LLMs, robust to alternative ECS formulations, and reproduces at N = 100. Against constitutional artificial intelligence (CAI) critique-revise and LlamaGuard-style safety-classifier baselines, the framework matches the integrity floor and adds a measurable margin on the secondary risk surface (burst timing, composite manipulation risk). The filter runs at 0.78 μs/call ($\approx 1.3\times {10}^6$ decisions/s/core), supporting always-on deployment as a stateless, model-agnostic component of LLM agent pipelines in adversarially contested electronic systems. Full article

Currently, there is a widespread use of inertial motion units (IMUs) based on micromechanical systems (MEMS) with applications ranging from consumer electronics to medical devices. One of the main uses of this technology is in human body motion capture systems, which require attaching various IMUs to the body. It is customary to start the design of IMU-based motion capture solutions by using generic off-the-shelf (OTS) solutions or custom integrations. However, it is common that generic OTS solutions or custom IMUs integrations are not necessarily intended or designed to be directly attached to the human body. To address this issue, a widely adopted solution is to perform quick workarounds to enable the IMUs to be “worn” by prospective users. However, this can have the drawbacks of increased probability of detachment, improper fit, user discomfort, adding noise to the IMU measurements, etc. Therefore, the development of OTS IMU-based motion capture solutions would greatly benefit from having a methodological approach for the design of device housings and/or adaptations for OTS solutions or custom IMU integrations, such that they can be effectively used as wearable devices. In this work, we introduce a design methodology for wearable devices based on the Theory of Inventive Problem Solving (TRIZ). By designing a “wearable device housing” for an OTS IMU solution, we show that the proposed TRIZ-based methodology provides a straightforward and structured approach for the design of wearable devices. Furthermore, we illustrate how various challenges encountered in the early stages of prototype development can be effectively addressed using this methodology. The results obtained with the study case confirm that the proposed TRIZ-based methodology effectively overcomes the challenges associated with the design of wearable devices based on generic OTS solutions or custom IMU integrations. Full article

Owing to its inherent electrical conductivity, reversible redox activity, and structural versatility, polypyrrole (PPy) has become an important material for advanced functional coatings. This review summarizes recent advances in PPy-based coatings, systematically exploring the correlation between fundamental material design and macroscopic multifunctional applications. First, the core structural characteristics of PPy and its primary fabrication strategies, including electrochemical deposition, chemical oxidative polymerization, solution processing, and hybrid composite engineering, are delineated. Subsequently, the role of PPy in surface protection is analyzed, with an emphasis on the synergistic mechanisms underlying corrosion mitigation, mechanical durability, and environmental barriers (e.g., anti-fouling and solar-driven desalination). In addition, the application expansion of PPy in emerging fields, such as electromagnetic interference (EMI) shielding, highly sensitive smart sensing, electroactive energy interfaces, and advanced biomedical electrodes, is summarized. Finally, current challenges—particularly the physicochemical trade-offs among conductivity, interfacial adhesion, and long-term stability—are discussed, and future development directions are prospected. By integrating green processing technologies and data-driven smart system integration, next-generation PPy coatings are expected to meet the demands of flexible electronics, sustainable energy, and precision medicine. Full article

Driven by demanding global emission regulations and the urgent requirements for sustainable mobility, Electric Vehicles (EVs) have emerged as the primary alternative to Internal Combustion Engine (ICE) vehicles. Central to this transition is the electric propulsion system (EPS), a multidisciplinary integration of power electronics, advanced motor drives, and electrochemical energy storage. This paper provides a comprehensive overview of the current landscape of power electronic drives, focusing on the evolution of high-efficiency traction motors and next-generation energy storage systems (ESSs), and advancements in ultra-fast chargers. The analysis explores the vital impact of power converters, evaluating recent breakthroughs in wide-bandgap (WBG) semiconductors and advanced control topologies that enhance energy density and thermal management. Furthermore, the study identifies critical challenges in the design, modulation, and operational reliability of converters under dynamic automotive environments. By synthesizing current research trends and technical bottlenecks, this paper offers insights into the future trajectory of power electronics in achieving high-performance, cost-effective, and carbon-neutral transportation. Full article