Search Results (10,873)

The objectives of reducing and increasing pollutant emissions during the glass production process also apply to the glass industry, meaning that the accurate modeling of a glass furnace is of critical strategic value. In the available literature, several CFD studies have proposed various models with different levels of complexity. Two basic aspects are shared by the existing models, limiting their accuracy and their impact on furnace design: the combustion space is usually solved with reliance on simplified models (e.g., Flamelet and global kinetic mechanisms); and the glass tank is solved separately, using an iterative approach to couple two (or more) simulated domains. This work presents the development of an innovative CFD model to overcome these limitations and to perform accurate simulations of industrial glass furnaces. The reactive flow is solved using a reduced chemical kinetic mechanism and the EDC (eddy dissipation concept) turbulence–chemistry interaction model to properly reproduce the complex combustion development. The glass bath is solved as a laminar flow with the appropriate temperature-dependent glass properties. The two domains are simulated simultaneously and thermally coupled through an interface. This procedure allows for the more accurate calculation of the heat flow and the temperature distributions on the glass bath, accounting for their subsequent influence on the glass convective motions. The simulation of an existing glass furnace, along with selected comparisons with experimental data, are presented to demonstrate the validity of the proposed model. The developed model provides a contribution that allows us to advance the wider understanding of glass furnace dynamics. Full article

This study addresses the dual challenges of water pollution and waste management by exploring the valorization of chicken bone biomass in native (NBio) and calcined (CBio) forms as biosorbents for dye removal. Basic fuchsine (BF) and methylene blue (MB) were selected as model pollutants, and adsorption was assessed under varying operational conditions. Characterization using Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and X-ray diffraction (XRD) showed that calcination improved crystallinity, eliminated organic impurities, and increased surface area (247 m²/g for NBio vs. 370 m²/g for CBio). Adsorption tests revealed higher performance for CBio, with maximum adsorption capacities of 100 mg/g (BF) and 142.85 mg/g (MB) based on the Langmuir isotherm, while NBio with maximum adsorption capacities of 111 mg/g (BF) and 111.11 mg/g (MB) followed the Freundlich model. Adsorption kinetics indicated pseudo-second-order behavior, suggesting chemisorption. The possible interactions between dyes and the biosorbent are hydrogen bonding, electrostatic interactions, and Lewis acid–base interactions. Thermodynamic analysis highlighted exothermic behavior for NBio and endothermic, entropy-driven adsorption for CBio, with both processes being spontaneous. A decision tree with Least Squares Boosting (DT_LSBOOST) provided accurate predictions (R² = 0.9999, RMSE < 0.003) by integrating key parameters. These findings promote chicken bone biomass as a cost-effective, sustainable biosorbent, offering promising potential in wastewater treatment and environmental remediation. Full article

The effects of acid and alkali pretreatments on the physicochemical and textural properties of Macrocystis pyrifera were evaluated to assess its potential for removing recalcitrant organic pollutants from aquatic systems. Untreated (UB), acid-pretreated (A_CPB), and alkali-pretreated (A_LPB) seaweed biomass were characterized using SEM, FTIR-ATR, N₂ adsorption–desorption, and potentiometric titrations. Adsorption isotherms and kinetic studies, using methylene blue (MB) as a model pollutant, were conducted to evaluate removal performance. All biosorbents exhibited Langmuir behavior, with maximum adsorption capacities of 333 mg g⁻¹ (UB), 189 mg g⁻¹ (A_CPB), and 526 mg g⁻¹ (A_LPB). FTIR-ATR and SEM analyses revealed that alkali pretreatment increased the abundance of hydroxyl, carboxylate, and sulfonated functional groups on the seaweed cell walls, along with greater porosity and surface roughness, resulting in enhanced MB adsorption. In contrast, acid pretreatment increased the exposure of carboxylic, amine, and amide functional groups, reducing the electrostatic interactions. The adsorption energy values further supported this, while the intra-particle diffusion model indicated a two-step process involving MB diffusion onto the seaweed surface, followed by diffusion into internal pores. These findings highlight the potential application of Macrocystis pyrifera-based biosorbents in the treatment of wastewater containing recalcitrant organic pollutants. Full article

The research aimed to study the effects of straw-derived biochar and two types of chemically modified biochar on biomethane production from glucose as a model substrate and sugar beet pulp as a real substrate. The biochar chemical modification with H₃PO₄ acid and KOH base resulted in a change in biochar surface area properties and its functional group’s abundance and a decrease in biochar mass yield production. The anaerobic digestion process was performed in batch reactors kept at 37 °C for 20 days. The substrate-to-inoculum ratio by volatile solids was 0.5, while the mass of added biochar corresponded to 16 g·L⁻¹. The results showed that neither the addition of biochar nor the chemically modified biochar had any positive effects on biomethane production or its kinetics in the case of both substrates. The highest methane production was found in reactors without biochar added, respectively, 385 and 324 mL·g_VS⁻¹ for glucose and sugar beet pulp. It is hypothesized that the anaerobic digestion process was performed under optimal conditions, and therefore, biochar could not enhance methane production. Additionally, biochar may have adsorbed some volatile fatty acids, making them less available to anaerobic microorganisms. Full article

This study presents data on the water quality of the Guarani Aquifer based on samples collected from distinct groundwater wells in the western region of Santa Catarina State, Brazil. Among the analyses performed, the results indicated the need for treatment to ensure suitability for human consumption, particularly concerning Fe³⁺ and Mn²⁺ ions. Accordingly, natural (NCLIN) and activated clinoptilolite (ACLIN) zeolites were evaluated for ion removal from synthetic aqueous solutions through adsorption. NCLIN demonstrated excellent performance in adsorbing Fe³⁺ and Mn²⁺ ions, achieving removal efficiencies of over 98% and 95%, respectively, at a controlled pH of 6.0 (NCLIN) or 4.0 (ACLIN). A non-linear approach to modeling adsorption kinetics indicated that the pseudo-second-order model best represented the experimental data. This finding suggests that the interaction between the adsorbent and Fe³⁺ and Mn²⁺ ions occur through electron sharing and chemisorption. Equilibrium modeling analysis revealed that adsorption on NCLIN occurred in a monolayer, whereas adsorption on ACLIN followed a multilayer pattern. This behavior is attributed to the activation process with H₂SO₄, which led to dealumination and the formation of HSO₃⁻ groups on the adsorbent surface. Full article

Breast magnetic resonance imaging (MRI) is considered the most effective method for detecting breast cancer due to its high sensitivity. Yet multiple factors limit its widespread use, including high direct and indirect costs, a prolonged acquisition time with consequent patient discomfort, and a lack of trained radiologists. During the last decade, new strategies have been followed to increase the availability of breast MRI, including the omission of non-essential sequences to generate abbreviated MRI protocols (AB-MRIs) aimed at reducing the acquisition time with the potential of improving the patient’s experience and accommodating a higher number of MRI examinations per day. An alternative method is ultrafast MRI (UF-MRI), a novel technique that gathers kinetic data within the first minute after contrast injection, offering high temporal resolution. This enables the analysis of early contrast wash-in curves, showing promising outcomes. In this study, we reviewed the role of UF-MRI in breast imaging and detailed how the integration of this new approach with radiomics and mathematical models might further improve diagnostic accuracy and even have a prognostic role, a fundamental characteristic in the modern scenarios of personalized medicine. In addition, possible clinical applications and advantages of UF-MRI will be discussed. Full article

Background/Objectives: The AXL receptor tyrosine kinase is a promising therapeutic target in solid tumors, yet conventional viral vector-engineered CAR-T cells face critical limitations, including risks of insertional mutagenesis and immunogenicity from murine-derived single-chain variable fragments (scFvs). This study aimed to develop and evaluate mRNA-engineered fully human AXL CAR-T (^mfhAXL CAR-T) cells as a safer, scalable alternative for solid tumor immunotherapy. Methods:^mfhAXL CAR-T cells were generated via electroporation-mediated delivery of in vitro transcribed mRNA encoding a fully human AXL-specific CAR. CAR expression kinetics and T-cell viability were quantified by flow cytometry. Antitumor activity was assessed through in vitro co-cultures with AXL-positive lung and pancreatic cancer cells, measuring cytotoxicity, cytokine secretion, and specificity. In vivo efficacy was evaluated in a lung cancer xenograft mouse model, with tumor volume and body weight monitored over 14 days. Results: Flow cytometry confirmed transient but high CAR expression (>90% at 24 h) with preserved T-cell viability (>90%). In vitro, ^mfhAXL CAR-T cells exhibited dose-dependent cytotoxicity and antigen-specific cytokine secretion. In vivo, four administrations of ^mfhAXL CAR-T cells suppressed tumor growth without body weight loss. Conclusions: The mRNA-electroporated ^mfhAXL CAR-T platform enables cost-effective, large-scale production, offering a safer alternative to viral vector-based approaches by eliminating risks of insertional mutagenesis and immunogenicity. Full article

Converting food waste into biofuel resources is considered a promising approach to address the rapid increase in energy demand, reduce dependence on fossil fuels, and decrease environmental hazards. In Egypt, large quantities of fried tilapia fish waste are produced in restaurants and households, posing challenges for proper waste management due to its decaying nature. The current study investigates the kinetic triplet and thermodynamic parameters of fried tilapia fish waste (FTFW) pyrolysis. Kinetic analysis was carried out using four iso-conversional models, Friedman, Kissinger–Akahira–Sunose (KAS), Flynn–Wall–Ozawa (FWO), and Starink, at heating rates of 10, 15, and 20 °C/min. The study findings indicate that FTFW decomposes within the temperature range of 382–407 °C. The estimated activation energy using the Friedman, FWO, KAS, and Starink methods ranged from 43.2 to 208.2, 31.3 to 148.3, 22.3 to 179.3, and 24.1 to 181.3 kJ/mol, respectively, with average values of 118.4, 96.7, 109.7, and 100.5 kJ/mol, respectively. The average enthalpy change determined using the Friedman, FWO, KAS, and Starink methods was 113.45, 91.78, 95.58, and 104.73 kJ/mol, respectively. The average values of Gibbs free energy change for the Friedman, KAS, FWO, and Starink, methods were 192.71, 171.04, 174.83, and 183.99 kJ/mol, respectively. Full article

This study investigates the activation mechanisms of hydrogen peroxide (H₂O₂) using iron-activated carbon (Fe²⁺/H₂O₂/AC) for the efficient degradation of amoxicillin (AM) in wastewater. The system achieved a high degradation efficiency of 90% under alkaline conditions (pH 9), with singlet oxygen (¹O₂) and hydroxyl radicals (^•OH) identified as the dominant reactive species through scavenger experiments. High-performance liquid chromatography–mass spectrometry (HPLC-MS) analysis revealed degradation by-products and proposed reaction pathways, including the loss of amine groups, ring-opening oxidation, and bond cleavage. The structural and morphological properties of Fe²⁺/H₂O₂/AC were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer–Emmett–Teller (BET) analysis. The BET surface area of Fe²⁺/H₂O₂/AC was determined to be 128.36 m²/g, with a mesoporous structure facilitating efficient mass transfer and adsorption. The system was systematically evaluated under varying conditions, including H₂O₂ concentration (25–250 mg/L), catalyst dosage (0.05–1.0 mg/L), and pH (3–10). Kinetic analysis revealed that the degradation process follows pseudo-second-order kinetics (R² = 0.966), while adsorption isotherms were best described by the Langmuir model (R² = 0.98). Ecotoxicity tests indicated that the degradation products are less harmful to aquatic organisms. The system demonstrated excellent stability over three consecutive cycles, highlighting its potential for long-term application in treating pharmaceutical-contaminated wastewater. Full article

This critical review evaluates chemical looping combustion using a syngas derived from gasified biomass (BMD Syngas). It is anticipated that establishing such a process will open new opportunities for CO₂ sequestration and the use of highly concentrated CO₂ in the manufacturing and synthesis of fuels from entirely renewable feedstocks. This review focuses on the process conducted through using two interconnected fluidized bed units: a nickel oxide reduction unit (an endothermic Fuel Reactor) and a nickel oxidation unit (an exothermic Air Reactor). In this respect, a high-performance OC (HPOC) with Ni on a γ-Al₂O₃ fluidizable support (20wt% Ni, 1wt% Co, 5wt% La/γ-Al₂O₃) was developed at the CREC (Chemical Reactor Engineering Centre) of the University of Western Ontario, Canada. The HPOC was studied in a CREC Riser Simulator. The benefits of this mini-fluidized unit are that it can be operated at 2–40 s reaction times, 550–650 °C temperatures, 1.3–2.5 H₂/CO ratios, and 0.5–1 biomass/syngas stoichiometric ratios, mimicking the conditions of industrial-scale CLC units. When using a syngas derived from biomass and the HPOC under these operating conditions, 90% CO, 92% H₂, and 88% CH4 conversions, together with a 91% CO₂ yield, were obtained. These results allowed the prediction of a 1.84–3.0 wt% ($g_{O_2}/g_{O_C}$) oxygen transport capacity, with a 40–70% nickel oxide conversion. The experimental data acquired with the CREC Riser Simulator permitted the development of realistic kinetic models. The resulting kinetics were used in combination with Computational Particle Fluid Dynamics (CPFD) to demonstrate the operability of a large-scale industrial syngas CLC process in a downer fuel unit. In addition, these CPFD simulations were employed to corroborate that high CO₂ yields are achievable in 12–15 m length downer fuel units. Full article

The use of autochthonous yeast strains from viticultural environments represents a novel approach in the brewing industry. Probiotic-fermented beers have generated growing interest as they combine traditional brewing with the increasing demand for health-oriented functional beverages. The application of mathematical modeling to fermentation kinetics becomes a crucial tool to adequately describe and subsequently improve the performance of functional beer fermentation. The Saccharomyces cerevisiae PB101 autochthonous yeast from San Juan (Argentina) was previously selected for its probiotic potential and its exceptional technological traits in beer wort production. It was subsequently used to ferment a Kölsch-style brewer’s wort in order to evaluate both its probiotic potential and its resistance to the human digestive system. The results showed a survival percentage of 73.49 ± 0.54 and 80.17 ± 3.73 in fermentations conducted in 2024 and 2025, respectively. These fermentation assays were used to explore kinetic microbial growth, ethanol production, and critical fermentation parameters. Traditional modeling approaches often fail to adequately capture the intricacies of probiotic fermentations, particularly lag phases associated with microbial adaptation and metabolite biosynthesis. To address these limitations, this study develops an innovative and simple modeling system for modeling probiotic beer fermentation by incorporating two state variables: total and dead cells. The dynamics of these two variables were modeled using either a First Order Plus Dead Time model or a logistic growth model. Furthermore, the modified Luedeking–Piret model was used to study the delay time that exists between the production of viable cells and ethanol. The proposed models demonstrate enhanced predictive accuracy and dependability, providing a solid foundation for optimizing fermentation processes and advancing the development of functional beverages with exceptional probiotic properties. Full article

This review systematically examines the pivotal applications of the Density Functional Theory (DFT) in drug formulation design, emphasizing its capability to elucidate molecular interaction mechanisms through quantum mechanical calculations. By solving the Kohn–Sham equations with precision up to 0.1 kcal/mol, DFT enables accurate electronic structure reconstruction, providing theoretical guidance for optimizing drug–excipient composite systems. In solid dosage forms, DFT clarifies the electronic driving forces governing active pharmaceutical ingredient (API)–excipient co-crystallization, predicting reactive sites and guiding stability-oriented co-crystal design. For nanodelivery systems, DFT optimizes carrier surface charge distribution through van der Waals interactions and π-π stacking energy calculations, thereby enhancing targeting efficiency. Furthermore, DFT combined with solvation models (e.g., COSMO) quantitatively evaluates polar environmental effects on drug release kinetics, delivering critical thermodynamic parameters (e.g., ΔG) for controlled-release formulation development. Notably, DFT-driven co-crystal thermodynamic analysis and pH-responsive release mechanism modeling substantially reduce experimental validation cycles. While DFT faces challenges in dynamic simulations of complex solvent environments, its integration with molecular mechanics and multiscale frameworks has achieved computational breakthroughs. This work offers interdisciplinary methodology support for accelerating data-driven formulation design. Full article

Hydrogen has been presented as a promising energy vector in decarbonized economies. Its singular properties can affect important aspects of industrial flames, such as the temperature, emissions, and radiative/convective energy transfer balance, thus requiring in-depth studies to optimize combustion processes using this fuel isolate or in combination with other renewable alternatives. This work aims to conduct a detailed numerical analysis of temperatures and gas emissions in the combustion of biomethane enriched with different proportions of hydrogen, with the intent to contribute to the understanding of the impacts of this natural gas surrogate on practical combustion applications. RANS k-$\omega$ and k-$ϵ$ turbulence models were combined with the GRI Mech 3.0, San Diego, and USC mechanisms using the ANSYS-Fluent 2024-R2 softwareto evaluate its performance regarding flame prediction. The Moss–Brookes model was adopted to predict soot formation for the methane flames by solving transport equations for normalized radical nuclei concentration and the soot mass fraction. The Discrete Ordinates (DOs) method with gray band model was applied to solve the Radiation Transfer Equation (RTE). The results of the experiments and numerical simulations highlight the importance of carefully selecting turbulence and chemical kinetics models for an accurate representation of real-scale industrial burners. Relative mean errors of 1.5% and 6.0% were registered for temperature and pollutants predictions, respectively, with the USD kinetics scheme and k-$omega$ turbulence model presenting the most accurate results. The operational impacts of hydrogen enrichment of biomethane flames were accessed for a practical combustion system. With 15% of hydrogen blending, the obtained results indicate a 73% penalty in CO emissions, an increase of 6% in NO emissions, and a 34 K flame temperature increase. Also, a reduction in flame radiation due to hydrogen enrichment was observed for hydrogen concentrations above 20%, a behavior that can affect practical combustion systems such as those in glass and other ceramics industries. Full article

Palm kernel shells, an abundant agro-industrial residue in countries like Ecuador, can be valorized through their conversion into activated carbon for industrial applications. This study investigates the physical activation of carbonized palm kernel shells using both a Nichols furnace at the pilot scale and a rotary kiln at the industrial scale. The progressive conversion model was used to explain how the activation process works and to calculate the reaction rate constants for CO₂ (kr_CO2) and H₂O (kr_H2O). The experimental results demonstrated that activation in an H₂O-rich atmosphere significantly enhanced porosity development and iodine index compared to CO₂ alone. Additionally, the study confirmed that activation kinetics are primarily controlled by the chemical reaction rather than mass transport limitations, as indicated by the negligible effect of particle size on gasification rates. At 850 °C, the reaction rate constants were calculated to be kr_CO2 = 0.75 (mol·cm⁻³·s)⁻¹ and kr_H2O = 8.91 (mol·cm⁻³·s)⁻¹. The model’s predictions closely matched the experimental data, validating its applicability for process optimization at both the pilot and industrial scales. These findings provide valuable insights for improving the efficiency of activated carbon production from palm kernel shells in large-scale operations. Full article

In this study, the decomposition processes of tabletop sweeteners based on steviol glycosides were investigated to determine the kinetic parameters of activation energy (E_a) and the logarithm of the pre-exponential factor (ln A) based on the converted fraction (α). These parameters were assessed using the Friedman and Ozawa–Flynn–Wall isoconversion methods with the NETZSCH Kinetics Neo software and the Model Free package. This study also aimed to explore the probable mechanism of the thermal decomposition of these materials. The thermal degradation of the samples was carried out in a temperature range of 150 to 400 °C under nitrogen flow, with heating rates of 5, 10, and 20 °C min⁻¹. The results indicated that both stevioside and steviol glycoside (E3) samples require higher energy to initiate their decomposition. Furthermore, the samples based on steviol glycosides exhibited distinct probable decomposition mechanisms: a model of two consecutive reactions followed by two competitive reactions for stevioside (FnFnFnFn model), three consecutive stages for the steviol glycoside sample (FnCnFn model), two consecutive stages for the steviol glycoside + erythritol sample (FnCn model), and three consecutive stages for the steviol glycoside + xylitol sample (FnFnFn model). Full article