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22 pages, 2308 KB  
Article
Microchannel Design Facilitates Efficient Tannin–Germanium Deposition
by Guomu Chen, Tingfang Xie, Botao Gao, Runan Jia, Lei Gao, Xiaolei Ye, Shenghui Guo and Li Yang
Metals 2026, 16(9), 941; https://doi.org/10.3390/met16090941 (registering DOI) - 23 Aug 2026
Abstract
To address the core industrial bottlenecks of conventional batch tannic acid-based germanium precipitation processes—high reagent consumption, long reaction cycles of several hours, severe impurity co-precipitation as well as the common mismatch between single-channel microreactor throughput and industrial production demands. This work combines numerical [...] Read more.
To address the core industrial bottlenecks of conventional batch tannic acid-based germanium precipitation processes—high reagent consumption, long reaction cycles of several hours, severe impurity co-precipitation as well as the common mismatch between single-channel microreactor throughput and industrial production demands. This work combines numerical simulation with experimental validation to investigate microscale two-phase flow regulation, high-throughput microreactor optimization, and tannic acid precipitation intensification. Two-dimensional two-phase flow models are established for straight and zigzag microchannels, with the level set method applied to track interfacial evolution. The regulatory effects of inlet velocity and channel geometry on flow patterns, droplet behavior and mixing performance are clarified. Zigzag channels induce chaotic convection via periodic corners, achieving an order-of-magnitude improvement in mixing efficiency at low Reynolds numbers (Re < 400), which lays a fundamental basis for reaction intensification. Taking zigzag channels as core units, a bidirectional symmetric superposition scale-up strategy is proposed to break the throughput limitation of single-channel systems, and a 3D-printed high-throughput microreactor integrating 78 parallel zigzag channels is designed. 3D simulations reveal a three-stage mixing mechanism and uniform flow distribution among parallel channels, with total throughput two orders of magnitude higher than a single channel. Single-channel experiments with industrial germanium-bearing raffinate yield 91.81% precipitation efficiency under optimal conditions, reducing the reaction residence time from hours in conventional batch processes to the second scale. Staged reagent addition and two-stage serial configuration further raise the efficiency to ~98%, realizing deep germanium recovery with significantly improved reagent utilization and reduced impurity co-precipitation. This process achieves efficient intensification of the chelation precipitation process while balancing throughput and mixing performance, providing a novel and technically feasible approach for efficient low-consumption germanium recovery, and offering solid technical support for the industrial application of microreactors in the hydrometallurgy field. Full article
(This article belongs to the Special Issue Metal Leaching and Recovery)
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25 pages, 8821 KB  
Article
Regulatory Effect of Polyacrylate Emulsion on the NaCl Attack Behavior of Cement-Based Grouting Materials
by Yuxuan Wang, Shengjie Han, Fan Wang, Lei Hu, Jiao Liao, Shijie Zhu, Yangyang Li and Jiehao Wu
Polymers 2026, 18(17), 2039; https://doi.org/10.3390/polym18172039 (registering DOI) - 22 Aug 2026
Abstract
Cement-based grouting materials with a high water-to-cement ratio are susceptible to connected pore development, chloride ingress, and mechanical degradation in chloride-bearing groundwater and marine environments. To improve resistance to NaCl attack, this study compared an unmodified cement-based grouting material (NC) with a polyacrylate-emulsion-modified [...] Read more.
Cement-based grouting materials with a high water-to-cement ratio are susceptible to connected pore development, chloride ingress, and mechanical degradation in chloride-bearing groundwater and marine environments. To improve resistance to NaCl attack, this study compared an unmodified cement-based grouting material (NC) with a polyacrylate-emulsion-modified material (PA). Mechanical properties, surface wettability, pore structure, phase assemblage, thermal behavior, functional groups, and microstructure were investigated under different NaCl concentrations (0%, 5%, 10%, and 15%) and immersion durations (28 and 90 d). This study systematically evaluates the coupled evolution of mechanical strength retention, surface wettability, pore structure, chloride-bearing phases, and microstructure in a bulk PA-emulsion-modified high-water-to-cement-ratio grouting material under graded NaCl exposure. The results showed pronounced concentration- and time-dependent effects. Low NaCl concentrations were associated with continued hydration and reaction-product filling, whereas higher concentrations and prolonged exposure led to pore coarsening and strength loss. PA modification improved the mechanical stability of the material in NaCl environments. After 90 d of immersion in 15% NaCl, the compressive and flexural strengths of the PA group were 23.60% and 22.53% higher than those of the NC group, respectively, while the corresponding strength-retention ratios were higher by 9.06 and 10.40 percentage points. Contact-angle and MIP results showed that PA reduced surface wettability and mercury-accessible porosity. After 15% NaCl exposure, the contact angle of the PA group remained 72.5°, compared with 40.1° for the NC group, while the porosity decreased from 38.11% in the NC group to 30.98% in the PA group. XRD, TG-DTG, and FTIR analyses indicated the formation and evolution of Friedel’s salt or other chloride-bearing AFm phases after NaCl exposure. Combined with SEM observations, the results indicate that PA mitigates NaCl-induced deterioration through reduced surface wettability, refined pore structure, regulated chloride-bearing product distribution, and improved matrix integrity. Overall, the findings establish a coupled surface–pore–phase–microstructure framework for understanding the enhanced NaCl resistance of PA-modified cement-based grouting materials. Full article
(This article belongs to the Special Issue Application of Polymers in Cementitious Materials, 2nd Edition)
22 pages, 664 KB  
Article
Influence of Methoxy Substitution Pattern on Cascade Biotransformation of 4′-Hydroxychalcones by Entomopathogenic Fungi
by Paweł Chlipała, Julia Bienia, Tomasz Tronina, Jerzy Ł. Wiśniewski and Tomasz Janeczko
Int. J. Mol. Sci. 2026, 27(16), 7463; https://doi.org/10.3390/ijms27167463 - 20 Aug 2026
Viewed by 133
Abstract
4′-Hydroxymethoxychalcones represent structurally diverse chalcone derivatives that are attractive substrates for microbial functionalization; however, the impact of methoxy substitution position on their cascade biotransformation by fungi remains poorly understood. In this study, three regioisomeric 4′-hydroxymethoxychalcones, featuring ortho-, meta-, or para-methoxy [...] Read more.
4′-Hydroxymethoxychalcones represent structurally diverse chalcone derivatives that are attractive substrates for microbial functionalization; however, the impact of methoxy substitution position on their cascade biotransformation by fungi remains poorly understood. In this study, three regioisomeric 4′-hydroxymethoxychalcones, featuring ortho-, meta-, or para-methoxy groups on ring B, were transformed using eight entomopathogenic fungal strains belonging to the genera Beauveria, Isaria, and Metarhizium. Metabolic profiles were monitored over a 10-day period using ultra-high-performance liquid chromatography coupled with diode-array detection (UHPLC-DAD), and the structures of the major products were elucidated primarily by one- and two-dimensional nuclear magnetic resonance (NMR) spectroscopy and further supported by high-resolution electrospray ionization quadrupole time-of-flight mass spectrometry (HR-ESI-QTOF-MS). The investigated microorganisms catalyzed multistep transformations encompassing the reduction of the α,β-unsaturated carbonyl system, methylglucosylation, O-demethylation, and the formation of secondary polar metabolites. Although ene-reduction constituted the predominant initial reaction for all substrates, the relative distribution of subsequent metabolites varied depending on both the fungal strain and, to a lesser extent, the position of the methoxy group. The ortho-methoxy derivative exhibited the highest propensity for O-demethylation; the meta-substituted substrate generated the most heterogeneous secondary metabolite profiles, whereas the para-methoxy analogue showed the most consistent accumulation of methylglucosylated dihydrochalcones. These findings indicate that methoxy substitution position does not alter the common core biotransformation pathway, but can modulate the relative efficiency of individual steps and the extent of secondary metabolism. Full article
(This article belongs to the Special Issue Dietary Polyphenols and Human Health)
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20 pages, 3460 KB  
Article
Neural-Network-Assisted FCC Kinetic Modeling for Enhanced Parameter Estimation Using the CREC Riser Simulator
by Jansen Gabriel Acosta-López, Nicolas Torres Brauer and Hugo de Lasa
Catalysts 2026, 16(8), 740; https://doi.org/10.3390/catal16080740 - 20 Aug 2026
Viewed by 69
Abstract
This study presents an integrated framework for developing kinetic models of vacuum gas oil (VGO) catalytic cracking under sparse experimental data conditions. Experiments were performed in the CREC Riser Simulator at different C/O (catalyst/VGO) weight ratios. The CREC Riser Simulator is a bench-scale [...] Read more.
This study presents an integrated framework for developing kinetic models of vacuum gas oil (VGO) catalytic cracking under sparse experimental data conditions. Experiments were performed in the CREC Riser Simulator at different C/O (catalyst/VGO) weight ratios. The CREC Riser Simulator is a bench-scale mini-fluidized reactor capable of reproducing the short contact times and operating conditions of industrial fluid catalytic cracking (FCC) risers. Product distributions were characterized by using a five-lump scheme consisting of unconverted VGO, light cycle oil (LCO), gasoline, light gases, and coke. To address the limitations associated with sparse datasets, a feedforward neural network (FNN) was used to reconstruct continuous reaction trajectories from discrete experimental measurements. These synthetic trajectories enabled the estimation of kinetic parameters for a phenomenological five-lump reaction network that incorporates catalyst deactivation. The resulting kinetic model established was subsequently implemented in a 1D heterogeneous model of a large-scale industrial FCC riser, providing reliable predictions of VGO conversion, product selectivity, and axial temperature profiles. Full article
(This article belongs to the Special Issue Fluidizable Catalysts for Novel Chemical Processes, 2nd Edition)
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37 pages, 780 KB  
Article
Optimal Chemotherapy Scheduling for Chronic Lymphocytic Leukemia Under Immune and Allergy Constraints
by Rawan Abdullah, Andrei Halanay and Lara Abou Orm
Entropy 2026, 28(8), 921; https://doi.org/10.3390/e28080921 - 17 Aug 2026
Viewed by 124
Abstract
We study an optimal control framework for chemotherapy administration in patients with chronic lymphocytic leukemia (CLL) while accounting for immune regulation and treatment-induced allergic reactions. The analysis is based on a previously developed nonlinear delay differential equation model describing the interactions between leukemic [...] Read more.
We study an optimal control framework for chemotherapy administration in patients with chronic lymphocytic leukemia (CLL) while accounting for immune regulation and treatment-induced allergic reactions. The analysis is based on a previously developed nonlinear delay differential equation model describing the interactions between leukemic cells, immune populations, antigen-presenting cells, and cytokine dynamics, with three distinct biological delays. The chemotherapy infusion rate is introduced as a time-dependent control variable and optimized to reduce leukemic burden, shift the helper T-cell balance toward a Th1-dominant configuration associated with lower hypersensitivity risk, and preserve immune competence. Existence of an optimal control is established for arbitrary delays and horizon, without the commensurability hypothesis required by reductions in delay systems to higher-dimensional delay-free ones; the argument uses only that the control enters the dynamics affinely and the running cost concavely. Necessary optimality conditions are derived via Pontryagin’s Maximum Principle for systems with delays, and the resulting eleven-dimensional adjoint system, which carries advanced arguments generated by the three delays, is written out explicitly. A contraction estimate for the associated sweep operator yields both uniqueness of the optimal control on a short horizon and geometric convergence of the numerical scheme. The optimality system is solved by a forward–backward sweep adapted to the delayed setting, with documented convergence and grid independence and sensitivity analysis over kinetic parameters, delays, initial conditions and objective weights. The optimized schedule is compared not only with the untreated case and a low constant dose, but also with a constant infusion delivering the same cumulative exposure, so that the reported benefit is attributable to the temporal distribution of the dose rather than to its total amount. At equal exposure, the optimal schedule reaches each therapeutic milestone earlier—Th1 dominance 0.9 days sooner and a 90% leukemic reduction 1.6 days sooner—and attains a terminal leukemic burden lower by a factor of 2.25; a constant infusion of the same total dose reaches a comparable configuration later. The benefit of adaptive scheduling in this model is therefore principally one of rate of response at fixed drug exposure. We emphasize that the absolute Th2 population is not reduced by treatment; the reduction in hypersensitivity risk arises from the resulting Th1-dominant relative balance rather than from direct Th2 suppression. To characterize the therapeutic outcome in information-theoretic terms, we describe the two competing goals as distributional balances: an allergy axis, given by the Th1/Th2/Treg distribution, and a leukemia axis, given by the immune/leukemic distribution, each measured by its Shannon entropy and its Kullback–Leibler divergence to a healthy reference profile. These quantities are used in two roles. As diagnostics, they are evaluated along the computed trajectories, and the ordering of dosing strategies is shown to be robust across twenty alternative reference profiles. As an objective, the combined divergence is then taken as the running cost of a second optimal control problem; because it depends on the leukemic population only through a normalized fraction, it prescribes a markedly gentler schedule that administers 37% of the drug and still achieves a 93% leukemic reduction, against 98% for the population-based formulation. These results suggest that adaptive, immune-aware chemotherapy scheduling may accelerate disease control at fixed drug exposure, and that information-theoretic objectives offer a scale-free alternative formulation of the therapeutic goal. Full article
(This article belongs to the Special Issue Information Theory in Control Systems, 3rd Edition)
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22 pages, 3836 KB  
Article
Degradation Characteristics of Decommissioned Wind Turbine Blade Composites in Subcritical and Supercritical Fluids
by Yu Ru, Yuzhe Li, Nan Li, Jingchun Huang, Yifan Bao and Yu Qiao
Materials 2026, 19(16), 3428; https://doi.org/10.3390/ma19163428 - 13 Aug 2026
Viewed by 231
Abstract
This study investigates the degradation behavior of decommissioned wind turbine blade composites in organic fluid systems, with particular focus on the subcritical acetic acid route. Supercritical acetone and supercritical n-butanol were used as screening media, while retired-blade glass fiber-reinforced polymer (GFRP) composites and [...] Read more.
This study investigates the degradation behavior of decommissioned wind turbine blade composites in organic fluid systems, with particular focus on the subcritical acetic acid route. Supercritical acetone and supercritical n-butanol were used as screening media, while retired-blade glass fiber-reinforced polymer (GFRP) composites and laboratory-prepared glass fiber/epoxy composites were used to compare resin removal and fiber recovery behavior. The screening results showed that supercritical acetone and supercritical n-butanol caused partial matrix degradation but left visible organic residues on recovered fibers, whereas subcritical acetic acid produced cleaner fiber surfaces under lower-pressure conditions. The effects of temperature and reaction time were then analyzed in the subcritical acetic acid system. At 280 °C for 60 min, the epoxy resin degradation rate reached 99.81%, and the recovered glass fibers retained 96.49% of their tensile strength. Gas chromatography–mass spectrometry (GC–MS) analysis indicated that the liquid products mainly contained phenols, esters, and other oxygenated organics, with bisphenol A derivatives as representative components. These products suggest a coupled degradation process involving epoxy network swelling, bond cleavage, fragment release, and secondary acetylation in acetic acid. The boiling-point difference between acetic acid and the main degradation products, together with the product distribution obtained after recovered-acid addition, indicates the potential of acetic acid reuse. These findings support subcritical acetic acid as a promising medium for resin removal and glass-fiber recovery from decommissioned wind turbine blade composites. Full article
(This article belongs to the Section Advanced Composites)
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18 pages, 9081 KB  
Article
Reactive Collision Dynamics and Effective Cross-Sections in a Reduced-Dimensional Model Potential
by Sanja Tošić, Vladimir A. Srećković and Veljko Vujčić
Atoms 2026, 14(8), 68; https://doi.org/10.3390/atoms14080068 - 11 Aug 2026
Viewed by 118
Abstract
We investigate reactive collision dynamics and effective interaction cross-sections using classical trajectory simulations on a reduced-dimensional reactive potential-energy surface containing reactant and product wells separated by an intermediate barrier region. The simulations are performed over a range of collision velocities for which direct [...] Read more.
We investigate reactive collision dynamics and effective interaction cross-sections using classical trajectory simulations on a reduced-dimensional reactive potential-energy surface containing reactant and product wells separated by an intermediate barrier region. The simulations are performed over a range of collision velocities for which direct scattering, transient trapping, and reactive trajectories coexist within the same interaction landscape. Trajectories are propagated using a velocity-Verlet integration scheme, while reaction probabilities are analyzed as functions of the impact parameter and initial projectile velocity. The calculated probability distributions exhibit strongly localized reactive windows in phase space separated by extended nonreactive regions, indicating pronounced sensitivity of the dynamics to both collision geometry and initial conditions. Probability maps in the (vx,b) plane reveal a fragmented phase-space structure and highly nonuniform accessibility of the interaction region across the investigated parameter range. The simulations further show substantial variations in the relative importance of reactive, trapped, and back-scattering trajectories with increasing collision velocity, together with non-monotonic behavior of the effective reactive cross-sections. Despite the intentionally reduced dimensionality of the model, the trajectory ensembles reproduce several characteristic features of complex reactive scattering dynamics, including transient trapping, competing dynamical pathways, and broad residence-time distributions. The present results demonstrate that reduced-dimensional classical trajectory approaches can already capture important phase-space mechanisms governing dynamical accessibility and channel competition in reactive molecular collisions. Full article
(This article belongs to the Special Issue Electron-Impact Ionization: Fragmentation and Cross-Section)
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27 pages, 5620 KB  
Article
Eco-Friendly Synthesis of Silver Nanoparticles Using Punica granatum (Pomegranate) Peel Extract Under Chemical-Free and Ambient Conditions: Characterization and Antibacterial Activity
by Chalisa Moonlek, Ekachai Wimolmala, Patcharaporn Siwayaprahm, Yaimai Chaginate, Paiboon Reungpatthanaphong, Chanis Rattanapongs, Tatsuhiro Takahashi and Kiadtisak Saenboonruang
Int. J. Mol. Sci. 2026, 27(16), 7133; https://doi.org/10.3390/ijms27167133 - 9 Aug 2026
Viewed by 260
Abstract
In this work, a simple chemical- and thermal-free procedure was developed for the green synthesis of AgNPs using pomegranate (Punica granatum) peel extract as both reducing and stabilizing agents under ambient conditions. The pomegranate extract exhibited a high total phenolic content [...] Read more.
In this work, a simple chemical- and thermal-free procedure was developed for the green synthesis of AgNPs using pomegranate (Punica granatum) peel extract as both reducing and stabilizing agents under ambient conditions. The pomegranate extract exhibited a high total phenolic content of 126.37 ± 5.29 mg GAE/g DW, indicating the abundance of bioactive phytochemicals capable of promoting nanoparticle formation. The synthesis parameters were optimized by varying reaction time and extract concentration, with the optimum conditions identified as 18 mg/mL extract concentration and 48 h reaction time based on UV–Vis analyses. The synthesized AgNPs at the optimized condition exhibited a characteristic surface plasmon resonance band at 430–440 nm and were predominantly quasi-spherical with an average particle size of 36.9 ± 14.2 nm determined by TEM. Dynamic light scattering (DLS) analysis yielded an intensity-weighted average hydrodynamic diameter of 72.5 ± 2.4 nm, while the number-weighted distribution confirmed that the suspension was predominantly composed of smaller nanoparticles that were consistent with the TEM observations. The synthesized AgNPs also exhibited a zeta potential of −33.5 ± 0.6 mV, indicating good colloidal stability. XRD and EDX analyses confirmed the formation of crystalline metallic AgNPs, while FTIR results suggested the involvement of phytochemicals in nanoparticle stabilization. The AgNPs also showed concentration-dependent antibacterial activity against E. coli and S. aureus, with MIC (MBC) values of 18.75 (37.5) and 9.375 (150) µg/mL, respectively. In addition, the cytotoxicity assessment using L929 fibroblasts yielded an IC50 value of 86 µg/mL, with a selectivity index of 4.59 and 9.17 against E. coli and S. aureus, respectively, indicating an excellent degree of preferential toxicity toward bacterial cells. Full article
(This article belongs to the Special Issue Recent Research on Noble Metal Nanoparticles)
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17 pages, 302 KB  
Article
Evaluating the Role of MIA3 Variant rs17465637 in Coronary Artery Disease: A Comprehensive Case–Control Analysis
by Neda M. Bogari, Samar N. Ekram, Amr A. Amin, Mashhour S. Alotaibi, Naif A. Almalki, Samar A. Amer, Rami Obaid and Reem M. Allam
Diagnostics 2026, 16(16), 2489; https://doi.org/10.3390/diagnostics16162489 - 7 Aug 2026
Viewed by 263
Abstract
Objectives: Coronary artery disease (CAD) remains a leading cause of morbidity and mortality worldwide, yet population-specific evidence regarding the contribution of MIA3 genetic variation in Middle Eastern populations remains limited. This study investigated the association of the MIA3 rs17465637 polymorphism with CAD susceptibility [...] Read more.
Objectives: Coronary artery disease (CAD) remains a leading cause of morbidity and mortality worldwide, yet population-specific evidence regarding the contribution of MIA3 genetic variation in Middle Eastern populations remains limited. This study investigated the association of the MIA3 rs17465637 polymorphism with CAD susceptibility and its relationship with lipid-related phenotypes in a Saudi population. Methods: A case–control study was conducted between June 2020 and August 2022, including 200 patients with angiographically confirmed CAD and 200 age- and sex-matched healthy Saudi controls. Genotyping of rs17465637 was performed using a TaqMan real-time polymerase chain reaction assay. Genotype distributions were evaluated using chi-square analysis under multiple inheritance models. Multivariable logistic regression was subsequently performed to estimate adjusted odds ratios after controlling age, BMI, smoking, physical inactivity, systolic BP, diastolic BP, blood glucose, triglycerides, total cholesterol, LDL-C, and HDL-C. Associations between rs17465637 genotypes and serum lipid parameters were also examined. Results: Genotype frequencies of rs17465637 differed modestly between cases and controls; however, unadjusted comparisons under codominant, dominant, recessive, and allelic inheritance models did not reach statistical significance, and none remained significant after Bonferroni correction. In contrast, multivariable logistic regression demonstrated an independent association between the rs17465637 C allele and CAD after adjustment for conventional cardiovascular risk factors. In genotype–phenotype analyses, carriers of the C allele exhibited higher association with low-density lipoprotein cholesterol concentrations and less favorable lipid profiles than AA homozygotes, supporting a relationship between the variant and lipid metabolism. These findings are consistent with a potential contribution of rs17465637 to CAD susceptibility through lipid-related pathways. Conclusions: Although unadjusted genotype comparisons were not statistically significant after correction for multiple testing, multivariable analysis provides evidence supporting an independent association between the MIA3 rs17465637 variant and CAD susceptibility in this Saudi cohort. The observed associations with adverse lipid profiles further provide evidence linking this specific locus to the molecular mechanisms underlying cardiovascular disease. Replication in larger, multi-center studies incorporating genome-wide ancestry-informative markers and functional investigations is warranted to further minimize the possibility of residual population stratification, confirming these findings and clarifying the biological mechanisms underlying this association. Full article
(This article belongs to the Section Pathology and Molecular Diagnostics)
47 pages, 7658 KB  
Article
On Reduced Observer-Bank Synthesis and Edge Implementation for Residual Chlorine Concentration Soft Sensors in Water Distribution Networks
by Nikolaos D. Kouvakas, Fotis N. Koumboulis, Antonios N. Menexis, Dimitrios G. Fragkoulis and Maria P. Tzamtzi
Water 2026, 18(15), 1924; https://doi.org/10.3390/w18151924 - 6 Aug 2026
Viewed by 271
Abstract
In the present paper, a reduced observer-bank synthesis and edge-oriented implementation framework for a model-based residual chlorine concentration soft sensor in water distribution networks is presented. For a benchmark network described through nonlinear hydraulic and chlorine transport–reaction dynamics, local discrete-time linear approximants are [...] Read more.
In the present paper, a reduced observer-bank synthesis and edge-oriented implementation framework for a model-based residual chlorine concentration soft sensor in water distribution networks is presented. For a benchmark network described through nonlinear hydraulic and chlorine transport–reaction dynamics, local discrete-time linear approximants are derived around admissible operating points. Based on these approximants, a finite bank of full-order Luenberger-type observers is designed for the estimation of nonmeasurable chlorine concentration variables. The observer parameters are selected through a metaheuristic multicriterion tuning procedure that combines discrete-time pole-placement requirements with estimation-performance objectives. A central contribution of the paper is an observer-bank construction algorithm that eliminates redundant target operating areas. The algorithm adaptively covers the normalized input domain by generating each observer operating area after nonlinear steady-state computation, local linearization, observer tuning, and validation for each operating point. The resulting observer bank is combined with a switching supervisor based on target-area overlap and measurable-output convergence. The resulting scheme is implemented in a Node-RED edge runtime, where multiple observers execute in parallel and the supervisor/switching mechanism selects the active observer that provides the appropriate estimate. Deterministic telemetry generated by a MATLAB R2025b simulation of the water distribution network is fed to the Node-RED instance, enabling repeatable evaluation of acquisition, estimation, switching, single-stream telemetry arbitration, and runtime adaptation. Computational and edge runtime experiments demonstrate the feasibility of deploying the proposed switching-observer soft sensor for real-time chlorine monitoring in water distribution networks. Full article
(This article belongs to the Special Issue Sustainable Management of Water Distribution Networks)
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20 pages, 15928 KB  
Article
Microfluidic Chip for High-Throughput Microstructure Detection of Precursor Particles
by Fenglin Han, Jing Wang, Jinlong Wu, Jing Yang, Hu He and Zhi Chen
Micromachines 2026, 17(8), 932; https://doi.org/10.3390/mi17080932 - 4 Aug 2026
Viewed by 300
Abstract
The microstructure of ternary precursors significantly influences the electrochemical performance of ternary cathode materials and, consequently, the overall performance of lithium-ion batteries. In industrial production utilizing traditional co-precipitation methods, Scanning Electron Microscopy (SEM) is typically employed for particle detection. However, this approach is [...] Read more.
The microstructure of ternary precursors significantly influences the electrochemical performance of ternary cathode materials and, consequently, the overall performance of lithium-ion batteries. In industrial production utilizing traditional co-precipitation methods, Scanning Electron Microscopy (SEM) is typically employed for particle detection. However, this approach is limited by offline sampling lag, poor representativeness, cumbersome sample preparation, and low efficiency, failing to achieve real-time quality feedback on production lines. To enable high-throughput particle detection, this study proposes a multi-layer PDMS chip designed for three-dimensional (3D) hydrodynamic focusing. The sheath fluid compressed the sample flow in horizontal and vertical directions, respectively, to form a flat ribbon flow passing through the detection area. High-fidelity raw images are captured for automated particle microstructure analysis. Firstly, a chemical pretreatment protocol was optimized to ensure stable precursor solution transport. Secondly, a three-layer composite microchannel featuring a sequential horizontal and vertical sheath-flow compression mechanism was designed, with its geometry optimized via Computational Fluid Dynamics (CFD) simulations. Subsequently, experimental optimizations of flow rate ratios were performed using sodium fluorescein, followed by validation with ternary precursor solutions. The results indicate that the microchannel achieves flattened monolayer focusing of randomly distributed precursor particles, compressing the sample stream height to approximately 15.44 μm, thereby maintaining the particle stream within the microscope’s depth of field and analyzing particle microstructure efficiently based on a microscopic image. Moreover, it is confirmed that the focused stream dimensions are primarily governed by the flow rate ratio, allowing for a flexible increase in detection throughput by adjusting the total flow rate. Different from static offline particle analyzers, this platform captures dynamic particle morphology under continuous flow, providing real-time data to guide co-precipitation reaction adjustment. Full article
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47 pages, 3392 KB  
Review
Enzyme-Directed Architecture–Property Design of Starch-Based Bioplastics: Mechanisms, Performance Trade-Offs, and Scalability Constraints
by Maria Eduarda Costa, Ana M. Sarinho, Janaina M. Lima, Rogério E. Andrade, Leonardo Batista, Renata Duarte Almeida, Carlos Schnorr, Matheus Augusto Pasqualli and Hugo M. Lisboa
Macromol 2026, 6(3), 57; https://doi.org/10.3390/macromol6030057 - 4 Aug 2026
Viewed by 322
Abstract
Starch-based bioplastics are renewable and biodegradable, but their wider use is constrained by moisture sorption, humidity-dependent aging, insufficient tensile performance, and weak water- and oxygen barrier stability. This review critically synthesizes the peer-reviewed literature from 2020 to 2026 on enzymatically engineered starch for [...] Read more.
Starch-based bioplastics are renewable and biodegradable, but their wider use is constrained by moisture sorption, humidity-dependent aging, insufficient tensile performance, and weak water- and oxygen barrier stability. This review critically synthesizes the peer-reviewed literature from 2020 to 2026 on enzymatically engineered starch for film, packaging, and thermoplastic applications using an architecture–property framework that links enzyme specificity, chain-length distribution, crystallinity, processing route, and material response. Controlled α-1,4 hydrolysis mainly improves processability by lowering molecular weight, viscosity, and gelatinization resistance. However, excessive hydrolysis can increase water uptake, solubility, and loss of cohesive strength. Debranching by pullulanase or isoamylase increases amylose-like linear chains and can promote B-type crystallinity or V-type starch–lipid complexes, with reported gains in tensile strength, contact angle, and water vapor barrier when the chain lengths and recrystallization conditions are controlled. Branching enzymes and transglycosylases increase branch density or redistribute glucan chains, suppressing retrogradation and improving flexibility, water retention, and aging resistance, but often with trade-offs in strength, crystallinity, and barrier performance. Lipase- and laccase-catalyzed functionalization expands starch functionality by increasing hydrophobicity, compatibility with hydrophobic phases, antioxidant activity, and active-packaging potential. The evidence indicates that enzymatic modification should not be generalized as uniformly improving starch bioplastics; performance gains are conditional on the starch source, amylose content, enzyme dosage, reaction severity, plasticizer composition, processing method, film conditioning, and storage humidity. Industrial implementation remains limited by enzyme cost and reuse, high-solids mass transfer, reaction time, enzyme stability under heat and shear, and reproducibility across botanical sources. Overall, enzymatic molecular editing is most promising when mechanistic architecture control is coupled with standardized structure–property reporting and scalable processing, such as immobilized-enzyme reactors, high-solids systems, and reactive extrusion. Full article
(This article belongs to the Special Issue Advances in Starch and Lignocellulosic-Based Materials)
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12 pages, 3886 KB  
Article
Experimental and Numerical Study on the Pyrolysis Pathways of C7H3F13O in Simulated Battery Immersion System
by Ming Hu, Xuewen Geng, Xingjian Kang, Yang Guo and Biao Zhou
Appl. Sci. 2026, 16(15), 7731; https://doi.org/10.3390/app16157731 - 4 Aug 2026
Viewed by 191
Abstract
This study investigates the high-temperature pyrolysis pathways and product distribution of the battery immersion coolant HFE-7300 (C7H3F13O) within a simulated thermal runaway environment. Using a tube furnace system combined with GC-MS analysis across a temperature range of [...] Read more.
This study investigates the high-temperature pyrolysis pathways and product distribution of the battery immersion coolant HFE-7300 (C7H3F13O) within a simulated thermal runaway environment. Using a tube furnace system combined with GC-MS analysis across a temperature range of 300–800 °C (residence time of 3 s), the thermal stability and cracking evolution were evaluated. Experimentally, HFE-7300 exhibits low initial decomposition at 400 °C with a pyrolysis rate of 5.84%, which rapidly scales up to 48.72% at 500 °C, and reaches a near-complete degradation of 98.46% at 800 °C. Qualitative product characterization identified C2H4, C2F4, C3F6 C4F8, and C5H3F9O as the primary species evolved. To map the micro-scale degradation trajectories, a reaction network comprising 12 elementary pathways was constructed via density functional theory (DFT) calculations at the B3LYP/6-311+G(d,p) level. Using the TST method, we calculated the reaction rate constants for the main decomposition pathways. Analysis reveals that the C4–C5 bond scission pathway (R6) serves as the predominant initial decomposition channel, yielding C5H3F9O and CF2=CF2 as the definitive primary products. These findings provide baseline thermodynamic data and critical safety insights for the engineering design of immersion-cooled battery thermal management systems. Full article
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15 pages, 2753 KB  
Article
Sequence-Controlled Synthesis of Heteroaryl-Substituted Decahydroacridine-1,8-diones: Comparative Evaluation of Preformed Enaminone and Multicomponent Routes
by Gökhan Özokan
Molecules 2026, 31(15), 2680; https://doi.org/10.3390/molecules31152680 - 31 Jul 2026
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Abstract
Six 9-thienyl-10-aryl-substituted 3,3,6,6-tetramethyl-decahydroacridine-1,8-diones (5af) were prepared by two acid-mediated routes that used the same solvent, temperature, and reaction time. In the sequential route, preformed 5,5-dimethyl-3-(arylamino)cyclohex-2-enones were reacted with a heteroaryl aldehyde and dimedone; in the corresponding one-pot route, the [...] Read more.
Six 9-thienyl-10-aryl-substituted 3,3,6,6-tetramethyl-decahydroacridine-1,8-diones (5af) were prepared by two acid-mediated routes that used the same solvent, temperature, and reaction time. In the sequential route, preformed 5,5-dimethyl-3-(arylamino)cyclohex-2-enones were reacted with a heteroaryl aldehyde and dimedone; in the corresponding one-pot route, the arylamine, heteroaryl aldehyde, and two equivalents of dimedone were combined directly. The isolated yields of the product-forming second stage were 71–75%, corresponding to calculated overall two-step yields of 58.2–68.6% after accounting for the isolated enaminone-preparation yields. These overall yields remained higher than those of the one-pot procedure (40–47%), although the sequential protocol required an additional reaction, isolation, catalyst charge, and solvent-intensive operation. Structural assignments were based on the available IR, 1H NMR, 13C NMR, and EI-MS data. Tetrahydroacridinone by-products 6ac were isolated in 13–15% yields and showed diagnostic spectral changes relative to 5af, including loss of the C-9 methine resonance and appearance of a strongly deshielded aromatic proton at 9.17–9.21 ppm. Within the limitations of an operational preparative comparison, the product distribution is consistent with a sequence-control interpretation in which preformation of the β-enaminone favors the 1:1:2 aldehyde/amine/dimedone product, whereas simultaneous component activation permits competing Knoevenagel, xanthene-forming, and aromatization pathways. This study provides a practical synthesis of thienyl-substituted decahydroacridine-1,8-diones and a mechanistically cautious explanation for the reduced selectivity of the one-pot process. Full article
(This article belongs to the Special Issue Synthesis and Derivatization of Heterocyclic Compounds)
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16 pages, 4116 KB  
Article
Influence of Particle Size Distribution of Coal Gangue on Performance of Prepared Ceramsite
by Hao Guan, Baoqiang Zhao, Ruidong Guo, Yu Li, Lifeng Sun, Lingdong Zeng and Chaohui Wei
Materials 2026, 19(15), 3212; https://doi.org/10.3390/ma19153212 - 28 Jul 2026
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Abstract
The large-scale accumulation of coal gangue has caused serious environmental problems, and converting it into ceramsite is an important pathway for resource utilization. Grinding is a key step in the preparation of coal gangue ceramsite, but the effect of particle size distribution on [...] Read more.
The large-scale accumulation of coal gangue has caused serious environmental problems, and converting it into ceramsite is an important pathway for resource utilization. Grinding is a key step in the preparation of coal gangue ceramsite, but the effect of particle size distribution on heat release and ceramsite performance remains unclear. In this study, coal gangue with a calorific value of 699.77 kcal/kg was ground for 1, 2, 3, and 4 h, respectively, followed by pelletizing and sintering. The different ground powders and sintering ceramsites were investigated using particle size analysis, TG-DSC, and XRD, as well as pore structure and strength tests. The results show that for the Datong coal gangue raw material, grinding parameters and sintering regime adopted in this work, the powder milled for 2 h presents a left-shifted particle size distribution curve with a narrow main peak, particle refinement and a concentrated particle size profile (D50 = 8.498 μm, D90 = 23.941 μm). Combined with TG-DSC, XRD, and pore property test results, the 2 h ground powder delivers the most concentrated heat release during low-temperature combustion. This concentrated heat release is inferred to promote high-temperature mineral phase reconstruction and liquid phase formation, thereby generating a dense ceramsite structure featuring low apparent porosity, high closed porosity and excellent mechanical performance (water absorption: 2.99 ± 0.44%; compressive strength: 15.12 ± 0.43 MPa). When the grinding time is extended to 3 h, the particle size distribution broadens, and both the particle size distribution curve and the DSC curve show shoulder peaks, indicating dispersed heat release. Extending grinding time from 3 h to 4 h appears to induce fine-particle agglomeration with heat release becoming more dispersed and decreasing reaction degree, leading to an uneven temperature distribution and deteriorated ceramsite performance. Full article
(This article belongs to the Special Issue Advances in Materials Processing (4th Edition))
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