Search Results (4,306)

Many intrinsically disordered proteins (IDPs) are known to undergo liquid–liquid phase separation (LLPS), which is a physical process that drives the formation of biomolecular condensates and membraneless organelles in biological cells. Molecular dynamics (MD) simulations provide valuable tools to explore both the molecular mechanisms of LLPS and the physical properties of biomolecular condensates. However, a direct comparison of MD simulation results with phase diagrams obtained experimentally is normally prevented not only by the high computational costs of simulating large biomacromolecular systems on sufficient timescales but also by conceptual challenges. Specifically, there currently seems to be no standard or unambiguous method of defining and determining volumes occupied by coexisting phases at the nanoscale, with typically no more than a few hundred biomacromolecules in the simulation box. The goal of this work is to fill in this gap in the methodology. Focusing on $\alpha$-synuclein as a model IDP, we test and compare three methods for determining the molecular density of protein nanodroplets, or clusters, generated in MD simulations or using other molecular modeling approaches. Two of the methods are based on approximating nanodroplets with homogeneous spheres and ellipsoids, respectively. The third method, which is expected to yield the most physically accurate results, is based on the SPACEBALL algorithm, with optimized, cluster-specific radii for volume probes. Our results contribute to the construction of accurate phase diagrams on the basis of MD simulations of IDP systems. Full article

Neurogenic bladder is a debilitating condition caused by neurological dysfunction that impairs urinary control, often requiring timed intermittent catheterisation. Although effective, intermittent catheterisation is invasive, uncomfortable, and associated with infection risks, reducing patients’ quality of life. SafeBladder is a low-cost wearable device developed to enable real-time, non-invasive bladder volume monitoring using near-infrared spectroscopy (NIRS) and machine learning algorithms. The prototype employs LEDs and photodetectors to measure light attenuation through abdominal tissues. Bladder filling was simulated through experimental tests using stepwise water additions to containers and tissue-mimicking phantoms, including silicone and porcine tissue. Machine learning models, including Linear Regression, Support Vector Regression, and Random Forest, were trained to predict volume from sensor data. The results showed the device is sensitive to volume changes, though ambient light interference affected accuracy, suggesting optimal use under clothing or in low-light conditions. The Random Forest model outperformed others, with a Mean Absolute Error (MAE) of 25 ± 4 mL and $R^2$ of 0.90 in phantom tests. These findings support SafeBladder as a promising, non-invasive solution for bladder monitoring, with clinical potential pending further calibration and validation in real-world settings. Full article

Disaster risk reduction requires efficient flood control in lowland and flood-prone areas, especially in agricultural areas like the Bang Rakam model area in Phitsanulok province, Thailand. In order to improve flood prediction and response, this study proposes the creation of a low-cost, real-time water-level monitoring integrated with spatial data analysis using Geographic Information System (GIS) technology. Ten ultrasonic sensor-equipped monitoring stations were installed thoughtfully around sub-catchment areas to provide highly accurate water-level readings. To define inundation zones and create flood depth maps, the sensors gather flood level data from each station, which is then processed using a 1-m Digital Elevation Model (DEM) and Python-based geospatial analysis. In order to create dynamic flood maps that offer information on flood extent, depth, and water volume within each sub-catchment, an automated method was created to use real-time water-level data. These results demonstrate the promise of low-cost IoT-based flood monitoring devices as an affordable and scalable remedy for communities that are at risk. This method improves knowledge of flood dynamics in the Bang Rakam model area by combining sensor technology and spatial data analysis. It also acts as a standard for flood management tactics in other lowland areas. The study emphasizes how crucial real-time data-driven flood monitoring is to enhancing early-warning systems, disaster preparedness, and water resource management. Full article

In coastal countries facing a shortage of drinking water, seawater desalination is essential for the production of potable water. During desalination, a large volume of waste stream, known as brine, is generated. This stream contains high concentrations of salts, particularly those of economic importance to the European Union, such as magnesium and calcium. By further processing this stream, these materials can be recovered. One method studied for separating magnesium from wastewater is membrane crystallization (MCr). The MCr process developed in this work utilizes ion-exchange membranes that separate the model brine solution from a precipitating agent, which is a solution of sodium hydroxide. During the process, the membrane allows the transport of anions between the two solutions, enabling the reaction between OH⁻ anions and Mg²⁺ cations, which leads to the formation of a magnesium hydroxide precipitate. The formed precipitate can then be filtered out of the brine solution, which now has decreased salinity due to crystallization facilitated by the ion-exchange membrane. However, precipitation occurs near the membrane surface, resulting in the deposition of magnesium hydroxide onto the outer surface of the membrane. The aim of this study is to investigate methods for effectively removing magnesium hydroxide from the membrane surface, with a primary focus on maximizing the yield of magnesium hydroxide crystals in suspension. Crystal removal was induced by circulation of hydrochloric acid, followed by circulation of demineralized water through the membrane module after crystallization. In this study, a membrane module made of hollow-fiber anion-exchange membranes was employed. The production cost of these membranes is approximately 50% lower per square meter compared to flat-sheet membranes commonly used in electrodialysis, demonstrating strong potential for commercial application. More than 85% magnesium conversion was achieved during the process, yet the majority of the crystals remained attached to the membrane. Circulation of hydrochloric acid and demineralized water after the crystallization process caused detachment of the crystals into suspension, nearly doubling their yield. Full article

In recent years, replacing the scarce and expensive rare earth element Nd with the more abundant and lower cost Ce in the production of Nd-Ce-Fe-B permanent magnets has become a focus of both industrial and academic research. A critical challenge is how to design the crystal structure of Nd-Ce-Fe-B magnets to compensate for the decline in magnetic performance caused by the Ce substitution. In this study, based on micromagnetic theory, Nd-Ce-Fe-B magnets with perpendicularly oriented easy axes—in which the two main phases, Nd₂Fe₁₄B and Ce₂Fe₁₄B, have a volume ratio of 1:1 but different spatial arrangements—are modeled and simulated using the MuMax3.11 software. The model is either cubic or spherical. The results from the demagnetization curve analysis indicate that the coercivity mechanism of all magnets is pinning. When the magnet volume is constant but the phase distribution differs, the Nd₂Fe₁₄B/Ce₂Fe₁₄B structure exhibits a higher coercivity and maximum energy product than the Ce₂Fe₁₄B/Nd₂Fe₁₄B structure. Furthermore, for both structural models with the same phase distribution, the coercivity and the maximum energy product decrease with the increasing volume of the main phase. Notably, the coercivity is similar when the magnet volume is very small and stabilizes after reaching a certain threshold. This qualitative conclusion was also observed in Nd-Dy-Fe-B magnets with the same structure and equal volume ratio of the two main phases. This general finding indicates that, in biphasic magnets with equal phase volumes, the phase with the larger anisotropy field located at the grain periphery can achieve a higher coercivity and maximum magnetic energy product. The analysis of the angular distribution reveals that the number of magnetic domains remains fixed at six in the Nd₂Fe₁₄B/Ce₂Fe₁₄B structure and two in the Ce₂Fe₁₄B/Nd₂Fe₁₄B structure. The in-plane magnetic moment analysis of the Ce₂Fe₁₄B/Nd₂Fe₁₄B magnet shows that the magnetic moments at the edges of the Ce₂Fe₁₄B begin to deflect first. Even at the pinning stage, the magnetic moments within the Nd₂Fe₁₄B remain unrotated. Nevertheless, the surface magnetic moments of Ce₂Fe₁₄B, through exchange coupling, drive the deflection of the interfacial and interior moments, completing the entire demagnetization process. These computational results provide theoretical guidance for related experimental studies and industrial applications. Full article

Vacuum membrane-based air dehumidification (MAD) is potentially more efficient than refrigeration cycles. Air permeance through a membrane is inevitable, especially when there is a large pressure difference between the supply and permeate sides. Given the high specific gas volume under vacuum conditions, removing the permeating air from the dehumidifier is crucial for the stable operation of the vacuum compressor. Energy-efficient air removal techniques are still lacking, thereby hindering the development of MAD technology. This paper proposes a novel MAD approach using a vacuum mixing condenser. The cooling water directly condenses moisture from the vacuum compressor without any heat exchanger. The permeating air and water mixture in the condenser then experiences a quasi-isothermal pressurization process through a multiphase pump, enabling continuous dehumidification and air removal with low power consumption. The fundamentals of the proposed approach are illustrated, and mathematical models are built. Influences of air permeance rate, cooling water flow rate, condenser pressure, membrane area, and gravitational work are investigated. The results show that a COP of 8~12 is achievable to dehumidify air to 50%RH, 25 °C. The vacuum compressor consumes about 80% of the power. A low air permeance rate, low condenser pressure, large membrane area, and high gravitational work positively impact the COP, while the cooling water flow rate has a more complex effect. The proposed dehumidifier can use less selective membranes for higher permeability and cost-effectiveness. Full article

This work reports a low-cost, microwave-assisted wet chemistry synthesis of zinc antimonate (ZnSb₂O₆) powders with a trirutile structure, yielding highly homogeneous, nanometric particles. X-ray diffraction (XRD) confirmed the formation of the trirutile phase with lattice parameters of a = 4.664 Å and c = 9.263 Å, and an estimated crystallite size of 42 nm. UV–vis spectroscopy revealed a bandgap of 3.35 eV. Scanning electron microscopy (SEM) showed that ethylenediamine, as a chelating agent, formed porous microstructures of microrods and cuboids, ideal for enhanced gas adsorption. Brunauer–Emmett–Teller (BET) analysis revealed a specific surface area of 6 m²/g and a total pore volume of 0.0831 cm³/g, indicating a predominantly mesoporous structure. The gas sensing properties of ZnSb₂O₆ pellets were evaluated in CO and C₃H₈ atmospheres at 100, 200, and 300 °C. The material exhibited high sensitivity at 300 °C, where the maximum responses were 5.86 for CO at 300 ppm and 1.04 for C₃H₈ at 500 ppm. The enhanced sensitivity at elevated temperatures was corroborated by a corresponding decrease in electrical resistivity. Furthermore, the material demonstrated effective photocatalytic activity, achieving up to 60% degradation of methylene blue and 50% of malachite green after 300 min of UV irradiation, with the process following first-order reaction kinetics. These results highlight that ZnSb₂O₆ synthesized by this method is a promising bifunctional material for gas sensing and photocatalytic applications. Full article

Metal additive manufacturing techniques have seen technological advancements in recent years, fueled by their ability to provide industrial use parts with excellent mechanical properties. Wire Arc Additive Manufacturing is a technology that is being widely used in critical industries, and much research is conducted in this field due to the multiple factors involved in the overall process. Within WAAM, gas metal arc welding stands out for its low cost, high production volume, high quality and capability for automation. In this study, a CNC router was retrofitted with a gas metal arc welding setup to facilitate precise metal printing. The flexibility in this process allows for rapid repairs on site without the need to replace the entire part. The literature predominantly focuses on the macro-mechanical properties of GMAW parts, and very few studies try to study the interaction and influence of different process parameters on the mechanical properties. Thus, this study focused on the GMAW WAAM of stainless-steel parts by studying the influence of the wire feed rate, arc voltage and strain rate on the UTS, yield strength, toughness and percentage elongation. ANOVA and interaction plots were analyzed to study the interaction between the input parameters on each output parameter. Results showed that printing stainless steel through the gas metal arc welding process with an arc voltage of 18.7 V and a wire feed rate of 6 m/min resulted in poor mechanical properties. The input parameter that influenced the mechanical properties the highest was the wire feed rate, followed by the arc voltage and strain rate. Printing with an arc voltage of 18.7 V and a wire feed rate of 5 m/min, tested at a crosshead speed of 1 mm/min, gave the best mechanical properties. Full article

Owing to its excellent crack resistance and durability, High-Performance Fiber-Reinforced Concrete (HPFRC) has been extensively applied in engineering structures exposed to extreme loading conditions. The Mode I dynamic fracture strength of HPFRC under high-strain-rate conditions exhibits significant strain-rate sensitivity and nonlinear response characteristics. However, existing experimental methods for strength measurement are limited by high costs and the absence of standardized testing protocols. Meanwhile, conventional data-driven models for strength prediction struggle to achieve both high-precision prediction and physical interpretability. To address this, this study introduces a dynamic fracture strength prediction method based on a feature-weighted linear ensemble (FWL) mechanism. A comprehensive database comprising 161 sets of high-strain-rate test data on HPFRC fracture strength was first constructed. Key modeling variables were then identified through correlation analysis and an error-driven feature selection approach. Subsequently, six representative machine learning models (KNN, RF, SVR, LGBM, XGBoost, MLPNN) were employed as base learners to construct two types of ensemble models, FWL and Voting, enabling a systematic comparison of their performance. Finally, the predictive mechanisms of the models were analyzed for interpretability at both global and local scales using SHAP (SHapley Additive exPlanations) and LIME (Local Interpretable Model-agnostic Explanations) methods. The results demonstrate that the FWL model achieved optimal predictive performance on the test set (R² = 0.908, RMSE = 2.632), significantly outperforming both individual models and the conventional ensemble method. Interpretability analysis revealed that strain rate and fiber volume fraction are the primary factors influencing dynamic fracture strength, with strain rate demonstrating a highly nonlinear response mechanism across different ranges. The integrated prediction framework developed in this study offers the combined advantages of high accuracy, robustness, and interpretability, providing a novel and effective approach for predicting the fracture behavior of HPFRC under high-strain-rate conditions. Full article

Background. Orthodontic extrusion (OE), or forced eruption, is a conservative technique used to recover teeth affected by coronal fractures, traumatic intrusions, or severe caries. It involves applying light, continuous forces to induce vertical tooth movement, promoting tissue remodeling through periodontal ligament stimulation. Materials and Methods. This narrative review included studies investigating OE as a therapeutic approach for the management of deep or subgingival carious lesions, traumatic dental injuries (such as intrusion or fracture), or for alveolar ridge augmentation in implant site development. OE is typically performed using fixed appliances such as the straight-wire system or, in selected cases, clear aligners. Forces between 30 and 100 g per tooth are applied, depending on the clinical situation. In some protocols, OE is combined with fiberotomy to minimize gingival and bone migration. Results. Studies show that OE leads to significant vertical movement and increases in buccal bone height and interproximal septa. It enhances bone volume in targeted sites, making it valuable in implant site development. Compared to surgical crown lengthening, OE better preserves periodontal tissues and improves esthetics. Conclusions. In this narrative review is analized how OE is effective for managing traumatic intrusions and compromised periodontal sites, particularly when paired with early endodontic treatment. It reduces the risks of ankylosis and root resorption while avoiding invasive procedures like grafting. Although clear aligners may limit axial tooth movement, OE remains a minimally invasive, cost-effective alternative in both restorative and implant dentistry. Full article

Digital PCR, as a nucleic acid absolute quantification method at the single-molecule level, has been widely applied in early cancer screening, single-cell analysis, and other biomedical fields. However, existing digital PCR methods still suffer from high costs, complex operations, and low detection dynamic range, which limit their applications. In the study, we developed a microfluidic chip-based digital PCR with a high-density vertical structure using PDMS (polydimethylsiloxane) flexible material. The chip features a three-layer structure of glass–PDMS–glass, with the PDMS structural layer containing 30,000 reaction chambers, each with a volume of 0.713 nL. This vertical-structured chip can increase the total volume and the total number of chambers by 50% without changing the chip area and chamber volume, thereby significantly enhancing dynamic range and sensitivity of the chip detection. This chip is theoretically capable of achieving a nucleic acid detection dynamic range close to 10⁵. Moreover, the digital PCR quantitative detection results of five different concentrations of serially diluted KRAS plasmid DNA templates using this chip also validated the accuracy and reliability of the nucleic acid quantitative detection results. The vertical-structured digital PCR chip, with its simple manufacturing process, uniform and stable sample partitioning, wide detection dynamic range, and low cost, will promote the widespread application of digital PCR. Full article

Cellulose aerogel is a promising thermal insulation material with terrific thermal insulation and environmental friendliness. However, the intrinsic flammability of polysaccharide molecules and dependence on freeze-drying have limited its application in flame-retardant and thermal management systems. Here, we develop a flame-retardant biomass aerogel based on a dual-network matrix of bacterial cellulose and sodium alginate. This innovative material enables high-efficiency and low-cost preparation via ambient pressure drying technology (only ~3.5% volume shrinkage), while achieving flame retardancy by introducing an inorganic nanosheet microstructure within a polymer matrix. The resulting dual-network flame-retardant cellulose aerogel demonstrates thermal performance superior to that of most polymer foams and conventional cellulose aerogels, featuring an ultra-low thermal conductivity of ~0.04 W m⁻¹ K⁻¹ and a high limiting oxygen index (LOI) of ~69%. This research provides a novel strategy for simultaneous flame-retardant modification and energy-efficient manufacturing of biomass-derived aerogels. Full article

Water is a vital resource for sustaining life; however, it is increasingly at risk due to escalating demand and heightened pollution levels. Swimming pool facilities generate diverse wastewater streams whose management offers opportunities for water recovery within a circular economy framework. The quantitative and qualitative analysis of research identifies five primary categories of wastewater: swimming pool basin outflow, filter washings, rainwater and meltwater, sanitary wastewater, and technological sludge, at a public swimming pool complex in Poland. Annual volumes were determined through direct measurements and calculations: pool basin outflow—2829.7 m³/year; filter washings—7179.2 m³/year; rainwater and meltwater—1172.6 m³/year; sanitary wastewater—5849.3 m³/year; and technological sludge—90.1 m³/year. Laboratory testing included physicochemical parameters (pH, redox potential, conductivity, COD, BOD, nutrients, heavy metals) and microbiological parameters (Escherichia coli, Pseudomonas aeruginosa, Legionella spp., Salmonella spp., Ascaris sp., Trichuris sp., Toxocara sp., Coagulase-positive Staphylococcus). The results showed that the filter washings, despite exceeding the limits for total suspended solids and combined chlorine, exhibited stable quality and significant volume, making them the most promising candidate for reuse after treatment. Rainwater quality was compromised by elevated heavy metal concentrations (Zn: 244.67 mg/L, Pb: 92.33 mg/L), while technological sludge exceeded the legal pollutant thresholds, classifying it as hazardous waste. The experimental conditions included year-round monitoring of operational flows, standardised backwash cycles every three days, and sampling under routine operational load. The findings support the development of targeted treatment systems that allow the recirculation of up to 7000 m³/year of water, thus reducing the demand for potable water and operational costs in swimming pool facilities. Full article

This two-part study assesses the impact of biogas inhibition on large-scale waste-to-energy anaerobic digestion (WtE-AD) plants through techno-economic and life cycle assessment approaches. The first part addresses technical and economic aspects. An anaerobic co-digestion system using vegetable waste (FVW) and meat waste (MW) was operated at laboratory scale in a semi-continuous regime with daily feeding to establish a stable process and induce programmed failures causing methanogenic inhibition, achieved by removing MW from the reactor feed and drastically reducing the protein content. Experimental data, combined with bioprocess scale-up models and cost engineering methods, were then used to evaluate the effect of inhibition periods on the profitability of large-scale WtE-AD processes. In the experimental stage, the stable process achieved a yield of 521.5 ± 21 mL CH₄ g⁻¹ volatile solids (VS) and a biogas productivity of 0.965 ± 0.04 L L⁻¹ d⁻¹ (volume of biogas generated per reactor volume per day), with no failure risk detected, as indicated by the volatile fatty acids/total alkalinity ratio (VFA/TA, mg VFA L⁻¹/mg L⁻¹) and the VFA/productivity ratio (mg VFA L⁻¹/L L⁻¹ d⁻¹), both recognized as effective early warning indicators. However, during the inhibition period, productivity decreased by 64.26 ± 11.81% due to VFA accumulation and gradual TA loss. With the progressive reintroduction of the FVW:MW management and the addition of fresh inoculum to the reaction medium, productivity recovered to 96.7 ± 1.70% of its pre-inhibition level. In WtE-AD plants processing 60 t d⁻¹ of waste, inhibition events can reduce net present value (NPV) by up to 40.2% (from 0.98 M USD to 0.55 M USD) if occurring once per year. Increasing plant capacity (200 t d⁻¹), combined with higher revenues from waste management fees (99.5 USD t⁻¹) and favorable electricity markets allowing higher selling prices (up to 0.23 USD kWh⁻¹), can enhance resilience and offset inhibition impacts without significantly compromising profitability. These findings provide policymakers and industry stakeholders with key insights into the economic drivers influencing the competitiveness and sustainability of WtE-AD systems. Full article

Climate change is projected to significantly reduce water availability, particularly in arid and semi-arid regions, which makes hydrological planning essential given the increasing competition for water resources. Inefficient consumption patterns exacerbate water depletion and highlight the importance of water quality management. Promoting sustainable practices, reducing consumption, and enhancing water recycling contribute to a more resilient approach. The aim of thIS study is to evaluate the reuse of reclaimed water in the Vega Alta region, which accounts for almost 15% of the total water mix (about 99 hm³/year) as it reuses 92.52% of the treated wastewater, most of which is pumped to irrigation areas targeted for consolidation, also creating new landscapes. These figures place the Region of Murcia as the leading autonomous community in Spain for water reuse, although challenges remain regarding water volumes and the associated costs, investment, and maintenance. Full article