Search Results (11,962)

A simplified kinetic model for the quantitative analysis of a potentiometric, pH-based urea biosensor is presented. The device was an electrolyte–insulator–semiconductor capacitor (EISCAP) with a pH-sensitive Ta₂O₅ gate functionalized by a polyallylamine hydrochloride (PAH)/urease bilayer. Within the steady-state approximation, the kinetic equations yielded an implicit algebraic relation linking the bulk urea concentration to the local pH at the sensor surface. Numerical solution of this equation, combined with a fitting routine, provides the apparent Michaelis–Menten constant ($K_M$) and the normalized maximum reaction rate (${\overline{k}}_V$). Validation against the literature data confirmed the reliability of the approach. Experimental results were then analyzed in both phosphate buffer (PBS) and artificial urine (AU), covering urea concentrations of 0.1–50 mM. The fitted parameters showed comparable $K_M$ values of 10.9 mM (PBS) and 32.4 mM (AU), but strongly different ${\overline{k}}_V$ values: $2.2\times {10}^{-4}$ (PBS) versus $8.6\times {10}^{-7}$ (AU). The three-order reduction in AU was attributed to the inhibitory effects inherent to complex biological fluids. These findings highlight the importance of the model-based quantitative analysis of EISCAP biosensors, enabling the accurate characterization of immobilized enzyme layers and guiding optimization for applications in realistic sample matrices. Full article

We present the spatial regime conversion method (SRCM), a novel hybrid modelling framework for simulating reaction–diffusion systems that adaptively combines stochastic discrete and deterministic continuum representations. Extending the regime conversion method (RCM) to spatial settings, the SRCM employs a discrete reaction–diffusion master equation (RDME) representation in regions of low concentration and continuum partial differential equations (PDEs) where concentrations are high, dynamically switching based on local thresholds. This is an advancement over the existing methods in the literature, requiring no fixed spatial interfaces, enabling efficient and accurate simulation of systems in which stochasticity plays a key role but is not required uniformly across the domain. We specify the full mathematical formulation of the SRCM, including conversion reactions, hybrid kinetic rules, and consistent numerical updates. The method is validated across several one-dimensional test systems, including simple diffusion from a region of high concentration, the formation of a morphogen gradient, and the propagation of FKPP travelling waves. The results show that the SRCM captures key stochastic features while offering substantial gains in computational efficiency over fully stochastic models. Full article

The study investigates the impact of motions of floating offshore wind turbine platforms on wake evolution and overall wind farm performance, employing large-eddy simulation (LES) and dynamic wake modeling method. First, the differences between wakes of floating and bottom-fixed wind turbines under forced motion are examined. Subsequently, a systematic comparative analysis is performed for four representative floating platform configurations—Spar, Semi-submersible, Tension-Leg Platform (TLP), and Monopile (Mnpl)—to assess wake dynamics and downstream turbine responses within tandem-arranged arrays. Results indicate that platform pitch motion, by inducing periodic variations in the rotor’s relative inflow angle, significantly enhances wake unsteadiness, accelerates kinetic energy recovery, and promotes vortex breakdown. Tandem-arrange turbines simulations further reveal that platform-dependent motion characteristics substantially influence wake center displacement, velocity deficit, downstream turbine thrust, and overall power fluctuations at the wind farm scale. Among the examined configurations, the Spar platform exhibits the most pronounced wake disturbance and the largest downstream load and power oscillations, with rotor torque and thrust increasing by 10.2% and 10.6%, respectively, compared to other designs. This study elucidates the coupled mechanisms among 6-DOFs (Six Degrees Of Freedom) motions, wake evolution, and power performance, providing critical insights for optimizing floating wind farm platform design and developing advanced cooperative control strategies. Full article

This study evaluates the cosmetic degradation of polyethylene (PE) and polypropylene (PP) automotive components under four exposure scenarios—no exposure, outdoor exposure with and without glass shielding, and accelerated UV chamber weathering (ASTM G154)—through the evolution of visible (VIS) reflectance. Thirty-two samples (16 PE, 16 PP) were monitored over five time points; surface reflectance was recorded at 21 wavelengths and summarized into seven VIS bands, and hardness (Shore D) was measured pre/post-exposure. Repeated-measures univariate and multivariate analyses consistently revealed significant effects of Condition, Time, and their interaction on reflectance, with initial-reflectance adjustment improving inference stability across bands. PE exhibited more gradual and coherent reflectance decay, whereas PP showed greater band-to-band variability—most notably under UV chamber exposure. Additionally, hardness decreased in most exposed groups, aligning with optical changes. To place spectral trajectories in a kinetic context, a family of exponential models with small-sample information criterion selection was fitted, yielding $\eta \left(t\right)$—a dimensionless degradation efficiency summarizing spectral change. The contribution of this work is a multi-statistical framework—combining VIS-band-aware summaries with covariate-adjusted univariate/multivariate testing—that supports comparisons across materials and exposure conditions, underscoring the practical value of UV chamber protocols as surrogates for outdoor weathering. In sum, the study demonstrates the effectiveness of multivariate and covariate-adjusted models in quantifying optical degradation of polyolefins, offering pragmatic guidance for assessing mid- to long-term performance in automotive applications. Full article

The ocean, as one of the largest thermal energy storage bodies on earth, has great potential as a thermal-electric energy reserve. Application of the relatively fixed-temperature ocean as the heat sink, and using concentrated solar energy as the heat source, one may construct a mobile power station on the ocean’s surface. However, a traditional solar-based heat source requires a large footprint to concentrate the light beam, resulting in bulky parabolic dishes, which are impractical under ocean engineering scenarios. For buoy-sized applications, the small form factor of the energy collector can only achieve limited temperature differential, and its energy quality is deemed to be unusable by traditional spring-loaded free piston Stirling engines. Facing these challenges, a low-temperature differential free piston Stirling engine is presented. The engine features a large displacer piston (ϕ136, 5 mm thick) made of corrugated board, and an aluminum power piston (ϕ10). Permanent magnets embedded in both pistons couple them through magnetic attraction rather than a mechanical spring. This magnetic “spring” delivers an inverse-exponential force–distance relation: weak attraction at large separations minimizes damping, while strong attraction at small separations efficiently transfers kinetic energy from the displacer to the power piston. Engine dynamics are captured by a lumped-parameter model implemented in Simulink, with key magnetic parameters extracted from finite-element analysis. Initial results have shown that the laboratory prototype can operate continuously across heater-to-cooler temperature differences of 58–84 K, sustaining flywheel speeds of 258–324 RPM. Full article

This study investigates the adsorption behavior of natural sepiolite for the removal of cadmium (Cd²⁺), copper (Cu²⁺), and nickel (Ni²⁺) ions from aqueous solutions under batch conditions. The sepiolite was extensively characterized prior to adsorption experiments. Mineralogical analysis confirmed the presence of crystalline sepiolite, while DTG-TGA revealed thermal stability with distinct weight loss linked to surface and structural water. BET analysis indicated a high surface area of 194 m²/g and a mesoporous structure favorable for adsorption. Batch experiments evaluated the effects of contact time, pH, adsorbent dosage, and initial metal concentration. Adsorption was highly pH-dependent, with maximum removal near-neutral pH values. Higher adsorbent dosages reduced in a lower adsorption capacity per unit mass, primarily because the fixed amount of solute was distributed over a larger number of available sites, leading to unsaturation of the adsorbent surface and possible particle agglomeration. Isotherm modeling revealed that the Langmuir model provided the best fit, indicating monolayer adsorption with maximum adsorption capacities of 15.95 mg/g for Cd(II), 37.31 mg/g for Cu(II), and 17.83 mg/g for Ni(II). Langmuir constants indicated favorable interactions. Kinetics showed rapid adsorption within the first hour, reaching equilibrium at 240 min through surface adsorption and intraparticle diffusion. Cu(II) exhibited the fastest uptake, while Ni(II) adsorbed more slowly, suggesting differences in diffusion rates among the metal ions. Desorption using 0.1 N HCl achieved over 80% efficiency for all metals, confirming sepiolite reusability. Overall, raw sepiolite is an effective, low-cost adsorbent for removing potentially toxic elements from water. Full article

This study provides a comprehensive quantitative comparison of three structurally distinct epoxy prepolymers—cycloaliphatic, novolac, and bis-aromatic (BADGE)—cured with a single hardener, methyl nadic anhydride (MNA), and catalyzed by 1-methylimidazole under strictly identical stoichiometric and thermal conditions. Each formulation was optimized in terms of epoxy/anhydride ratio and catalyst concentration to ensure meaningful cross-comparison under representative cure conditions. A multi-technique approach combining differential scanning calorimetry (DSC), dynamic rheometry, and thermogravimetric analysis (TGA) was employed to jointly assess cure kinetics, network build-up, and long-term thermal stability. DSC analyses provided reaction enthalpies and glass transition temperatures (Tg) ranging from 145 °C (BADGE-MNA) to 253 °C (cycloaliphatic ECy-MNA) after stabilization of the curing reaction under the chosen thermal protocol, enabling experimental fine-tuning of stoichiometry beyond the theoretical 1:1 ratio. Isothermal rheology revealed gel times of approximately 14 s for novolac, 16 s for BADGE, and 20 s for the cycloaliphatic system at 200 °C, defining a clear hierarchy of reactivity (Novolac > BADGE > ECy). Post-cure thermomechanical performance and thermal aging resistance (100 h at 250 °C) were assessed via rheometry and TGA under both dynamic and isothermal conditions. They demonstrated that the novolac-based resin retained approximately 93.7% of its initial mass, confirming its outstanding thermo-oxidative stability. The three systems exhibited distinct trade-offs between reactivity and thermal resistance: the novolac resin showed superior thermal endurance but, owing to its highly aromatic and rigid structure, limited flowability, while the cycloaliphatic resin exhibited greater molecular mobility and longer pot life but reduced stability. Overall, this work provides a comprehensive and quantitatively consistent benchmark, consolidating stoichiometric control, DSC and rheological reactivity, Tg evolution, thermomechanical stability, and degradation behavior within a single unified experimental framework. The results offer reliable reference data for modeling, formulation, and possible use of epoxy–anhydride thermosets at temperatures above 200 °C. Full article

Graft copolymers of polysaccharides with side chains of carbon-chain monomers have significant potential for a variety of practical applications. In this work, the effect of the N,N-methylenebisacrylamide (MBA) introduction stage and acrylamide concentration in microwave-assisted radical copolymerization with xanthan gum on the structure and sorption properties of the cross-linked graft copolymer was studied. It has been found that the spatial network density and average molecular weight of interstitial fragments can be controlled by varying these factors. Moderate crystallinity (<50%) and a highly developed surface of our synthesized samples were revealed using XRD and SEM. The graft copolymer exhibits the Schroeder effect; its liquid water sorption obeys Fick’s law and increases with MBA introduction at later stages and with increasing grafting degree, reaching 17.2 g/g. Studying the methylene blue sorption kinetics using pseudo-first/pseudo-second order models, a combined model and an average pseudo-order model have shown that the lower the monomer concentration in the reaction mixture and the earlier (from the onset of the reaction) the cross-linking agent is introduced, the higher the equilibrium sorption. The observed “equilibrium degree of sorption on xanthan gum vs. pseudo-order” relationship, which passes through a minimum, is explained by chemisorption and the sorbate consumption effect. An assumption is made about the prospects of using our synthesized copolymers for designing selective sorbents and ion-exchange membranes. Full article

A gastric–intestinal two-step enzymatic hydrolysis in vitro digestion simulation system was used to systematically investigate the digestion kinetics and amino acid release characteristics of five plant protein sources: soybean meal, rapeseed meal, corn DDGS, corn gluten meal, and corn germ meal. The results showed that in the gastric digestion phase (120 min), the protein hydrolysis degree of soybean meal was the highest (61.8%, p < 0.001), which was 4.4 times that of corn gluten meal (14.0%). In the intestinal digestion phase (240 min), the low-molecular-weight peptide release of corn gluten meal (31.2 mg/g) was significantly higher than that of corn DDGS (17.4 mg/g), showing a “weak in the stomach but strong in the intestine” characteristic. The “nutritional value equivalence” model constructed with soybean meal as the reference showed that the gastric digestion phase equivalence of rapeseed meal was only 32.2% (significantly lower than other materials), and the intestinal digestion phase equivalence of corn gluten meal was 62.9%. This study clarified the differences in digestion characteristics and key related indicators of different plant protein sources, providing quantitative references and scientific support for the food and feed industries to precisely select protein sources according to digestion phases and optimize the formula design. Full article

Fe–Ce-MOFs with a rice-grain-like morphology were successfully obtained via hydrothermal synthesis, where ferric chloride (FeCl₃) and cerium nitrate [Ce(NO₃)₃] served as the metal precursors and terephthalic acid (PTA) acted as the organic coordinating ligand. The effects of the Fe:Ce molar ratio, (Fe/Ce):PTA ratio, reaction duration, and synthesis temperature on adsorption performance of the Fe–Ce-MOFs were systematically studied. A comprehensive evaluation was conducted on the removal of fluoride and phosphate ions from aqueous solution. Under optimized conditions, the maximum adsorption capacities of Fe–Ce-MOFs for fluoride and phosphate reached 183.82 mg g⁻¹ and 110.74 mg g⁻¹, respectively. Adsorption data correlated strongly with the Langmuir isotherm, were best represented by the pseudo-second-order kinetic model, and were identified as a spontaneous and endothermic reaction. After three regeneration cycles, the adsorbent still maintained high removal efficiencies for fluoride (85.17%) and phosphate (47.34%) removal. In practical wastewater treatment, removal efficiencies of 92.04% for fluoride and 93.87% for phosphate were achieved. Mechanistic studies revealed that fluoride removal was dominated by electrostatic attraction and hydroxyl–fluoride ion exchange, whereas phosphate removal was attributed to the generation of inner-sphere complexes involving PO₄³⁻ and Fe/Ce active sites. This study not only elucidates the synergistic mechanism of fluoride and phosphate elimination by Fe–Ce-MOFs but also provides theoretical guidance and application prospects for the development of highly efficient and stable bimetallic MOF-based adsorbents for environmental remediation. Full article

Background/Objectives: Physiologically based kinetics (PBK) modelling provides (internal) exposure concentrations. We used a PBK model parameterized exclusively with in silico and in vitro data in a bottom-up approach to predict the pharmacokinetics of oxybenzone, a UV filter, present in two formulations (for which dose-normalized C_max and AUC from clinical studies were different). Methods: Skin absorption data were used to refine chemical-specific dermal absorption parameters for oxybenzone in a lotion and spray. The Transdermal Compartmental Absorption and Transit (TCAT) model in GastroPlus^® 9.9 was used to estimate vehicle and skin layer diffusion and partitioning and then used to simulate systemic exposure. The model was validated according to the OECD 331 guideline. Results: PK profiles simulated for both formulations after single and repeated applications correlated with clinical data profiles (used only to validate our approach), with a deviation from the C_max and AUC of <2-fold. Sensitivity and uncertainty analyses indicated that most input parameters had a medium to high reliability, whereas only a few parameters related to dermal delivery had a low reliability: the partition coefficient between vehicle and water for spray and the diffusion coefficient in stratum corneum for lotion. In vitro skin absorption results suggested that absorption kinetics were not statistically different between the formulations; however, parameters such as vehicle evaporation time were different. The fine-tuned TCAT model containing the absorption data suggested that the variability in clinical data might be due to other factors, e.g., the small number of subjects. Conclusions: These results demonstrate how formulation-dependent absorption kinetics improve confidence in estimated exposure, thanks to the PBK model with its bottom-up approach for nonanimal-based safety assessments. Full article

The development of advanced drug delivery systems is essential for improving therapeutic efficacy, particularly in the treatment of neurodegenerative disorders such as Alzheimer’s disease. This study investigates zinc-modified mordenite zeolite (MR-ZN) as a novel platform for the controlled delivery of donepezil (DPZ), a cholinesterase inhibitor. Natural mordenite was modified with zinc, enhancing its surface area from 62.1 to 85.4 m²/g and improving its adsorption properties. Donepezil was successfully loaded at two doses (10 mg and 23 mg), achieving high loading efficiencies of 95% and 94%, respectively. Adsorption kinetics followed a pseudo-second-order model (R² > 0.99), indicating that chemisorption predominates through coordination between DPZ functional groups and Zn²⁺ sites, while complementary physisorption via hydrogen bonding and van der Waals interactions also contributes to molecular stabilization within the zeolite framework. In vitro release studies under simulated gastrointestinal conditions demonstrated sustained and pH-responsive release profile with 80% and 82% of donepezil released after 24 h for 10 mg and 23 mg formulations, respectively. Density Functional Theory (DFT) calculations revealed favorable adsorption energy (−26.4 kJ/mol), while Bader and Electron Localization Function (ELF) analyses confirmed hydrogen bonding and electrostatic interactions without compromising the zeolite framework. These findings validate MR-ZN as structurally stable, efficient, cost-effective and biocompatible matrix for oral drug delivery. The combination of experimental data and theoretical modeling supports its potential to improve bioavailability and therapeutic performance in neurodegenerative treatment. Full article

Coagulation–flocculation, historically reliant on simple inorganic salts, has evolved into a technically sophisticated process that is central to the removal of turbidity, suspended solids, organic matter, and an expanding array of micropollutants from complex wastewaters. This review synthesizes six decades of research, charting the transition from classical aluminum and iron salts to high-performance polymeric, biosourced, and hybrid coagulants, and examines their comparative efficiency across multiple performance indicators—turbidity removal (>95%), COD/BOD reduction (up to 90%), and heavy metal abatement (>90%). Emphasis is placed on recent innovations, including magnetic composites, bio–mineral hybrids, and functionalized nanostructures, which integrate multiple mechanisms—charge neutralization, sweep flocculation, polymer bridging, and targeted adsorption—within a single formulation. Beyond performance, the review highlights persistent scientific gaps: incomplete understanding of molecular-scale interactions between coagulants and emerging contaminants such as microplastics, per- and polyfluoroalkyl substances (PFAS), and engineered nanoparticles; limited real-time analysis of flocculation kinetics and floc structural evolution; and the absence of predictive, mechanistically grounded models linking influent chemistry, coagulant properties, and operational parameters. Addressing these knowledge gaps is essential for transitioning from empirical dosing strategies to fully optimized, data-driven control. The integration of advanced coagulation into modular treatment trains, coupled with IoT-enabled sensors, zeta potential monitoring, and AI-based control algorithms, offers the potential to create “Coagulation 4.0” systems—adaptive, efficient, and embedded within circular economy frameworks. In this paradigm, treatment objectives extend beyond regulatory compliance to include resource recovery from coagulation sludge (nutrients, rare metals, construction materials) and substantial reductions in chemical and energy footprints. By uniting advances in material science, process engineering, and real-time control, coagulation–flocculation can retain its central role in water treatment while redefining its contribution to sustainability. In the systems envisioned here, every floc becomes both a vehicle for contaminant removal and a functional carrier in the broader water–energy–resource nexus. Full article

The removal of phytotoxins from herbal preparations is important due to evidence linking exposure to aristolochic acid I (AAI), a toxin found in Aristolochiaceae species, with certain kidney diseases. This study evaluates the effectiveness of activated carbon (AC) in removing AAI from aqueous solutions and determines the optimal conditions for the process, which are necessary for accurate kinetic, thermodynamic, and equilibrium analyses. After establishing the best conditions for the adsorption reaction (pH > 6; solid/liquid ratio (S:L) = 0.1 g adsorbent: 25 mL AAI solution; contact time 120 min; temperature = 298 K, AAI initial concentration (Ci) = 150 mg/L), a maximum adsorption capacity of 10.67 mg/g was obtained. Quantitative analysis of AAI was performed using UV-VIS spectrophotometry. Experiments on kinetics, thermodynamics, and adsorption isotherms were carried out. The findings showed that the process adheres to pseudo-second-order kinetics and is spontaneous and endothermic and takes place at the interface between the adsorbent and adsorbate. The equilibrium data fits the Sips isotherm model with a regression coefficient close to 1. The findings indicate that AC is an effective material for the removal of AAI by adsorption from an aqueous solution. Full article

This study provides a comprehensive analysis of lemon peel (LP) combustion behaviour using combined physicochemical characterization and non-isothermal thermogravimetric kinetics. To achieve this, LP was characterized for its proximate and ultimate composition, with its structure analysed via FTIR, XRD, and SEM. Thermogravimetric analysis (TGA) was then performed at high heating rates (20–80 K min⁻¹) to investigate combustion stages, and kinetic and thermodynamic parameters were determined using six model-free and one model-fitting method. The results revealed a high heating value (23.02 MJ kg⁻¹) and high volatile matter (73.2 wt%), establishing LP’s significant energy potential. TGA displayed four distinct decomposition stages corresponding to dehydration, pectin/hemicellulose, cellulose, and lignin/char combustion. Kinetic analysis yielded activation energies that varied with conversion, peaking at approximately 304 kJ mol⁻¹, and a three-dimensional diffusion (D3) mechanism was identified as the rate-limiting step. In conclusion, while its high energy content and low nitrogen (1.26 wt%) and sulphur (0.20 wt%) content make LP an attractive low-emission biofuel, its viability is challenged by a high potassium concentration in the ash (34.8 wt% K₂O), posing a severe risk of slagging. This study provides the comprehensive combustion kinetic data for LP at high heating rates, which is essential for designing appropriate energy conversion technologies and ash management strategies. Full article