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23 pages, 5773 KiB  
Article
Multi-Seasonal Risk Assessment of Hydrogen Leakage, Diffusion, and Explosion in Hydrogen Refueling Station
by Yaling Liu, Yao Zeng, Guanxi Zhao, Huarong Hou, Yangfan Song and Bin Ding
Energies 2025, 18(15), 4172; https://doi.org/10.3390/en18154172 - 6 Aug 2025
Abstract
To reveal the influence mechanisms of seasonal climatic factors (wind speed, wind direction, temperature) and leakage direction on hydrogen dispersion and explosion behavior from single-source leaks at typical risk locations (hydrogen storage tanks, compressors, dispensers) in hydrogen refueling stations (HRSs), this work established [...] Read more.
To reveal the influence mechanisms of seasonal climatic factors (wind speed, wind direction, temperature) and leakage direction on hydrogen dispersion and explosion behavior from single-source leaks at typical risk locations (hydrogen storage tanks, compressors, dispensers) in hydrogen refueling stations (HRSs), this work established a full-scale 1:1 three-dimensional numerical model using the FLACS v22.2 software based on the actual layout of an HRS in Xichang, Sichuan Province. Through systematic simulations of 72 leakage scenarios (3 equipment types × 4 seasons × 6 leakage directions), the coupled effects of climatic conditions, equipment layout, and leakage direction on hydrogen dispersion patterns and explosion risks were quantitatively analyzed. The key findings indicate the following: (1) Downward leaks (−Z direction) from storage tanks tend to form large-area ground-hugging hydrogen clouds, representing the highest explosion risk (overpressure peak: 0.25 barg; flame temperature: >2500 K). Leakage from compressors (±X/−Z directions) readily affects adjacent equipment. Dispenser leaks pose relatively lower risks, but specific directions (−Y direction) coupled with wind fields may drive significant hydrogen dispersion toward station buildings. (2) Southeast/south winds during spring/summer promote outward migration of hydrogen clouds, reducing overall station risk but causing localized accumulation near storage tanks. Conversely, north/northwest winds in autumn/winter intensify hydrogen concentrations in compressor and station building areas. (3) An empirical formula integrating climatic parameters, leakage conditions, and spatial coordinates was proposed to predict hydrogen concentration (error < 20%). This model provides theoretical and data support for optimizing sensor placement, dynamically adjusting ventilation strategies, and enhancing safety design in HRSs. Full article
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8 pages, 2061 KiB  
Article
Flexible Cs3Cu2I5 Nanocrystal Thin-Film Scintillators for Efficient α-Particle Detection
by Yang Li, Xue Du, Silong Zhang, Bo Liu, Naizhe Zhao, Yapeng Zhang and Xiaoping Ouyang
Crystals 2025, 15(8), 716; https://doi.org/10.3390/cryst15080716 - 6 Aug 2025
Abstract
Thin-film detection technology plays a significant role in particle physics, X-ray imaging and radiation monitoring. In this paper, the detection capability of a Cs3Cu2I5 thin-film scintillator toward α particles is investigated. The flexible thin-film scintillator is fabricated by [...] Read more.
Thin-film detection technology plays a significant role in particle physics, X-ray imaging and radiation monitoring. In this paper, the detection capability of a Cs3Cu2I5 thin-film scintillator toward α particles is investigated. The flexible thin-film scintillator is fabricated by a facile and cost-effective in situ strategy, exhibiting excellent scintillation properties. Upon α-particle excitation, the light yield of the Cs3Cu2I5 thin-film is 2400 photons/MeV, which greatly benefits its application for single-particle events detection. Moreover, it shows linear energy response within the range of 4.7–5.5 MeV and moderate decay time of 667 ns. We further explored the cryogenic scintillation performance of Cs3Cu2I5@PMMA film. As the temperature decreases from 300 K to 50 K, its light yield gradually increases to 1.3 fold of its original value, while its decay time remains almost unchanged. This scintillator film also shows excellent low-temperature stability and flexible operational stability. This work demonstrates the great potential of the Cs3Cu2I5@PMMA film for the practical utilization in α-particle detection application. Full article
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19 pages, 13584 KiB  
Article
Enhanced Diffraction and Spectroscopic Insight into Layer-Structured Bi6Fe2Ti3O18 Ceramics
by Zbigniew Pędzich, Agata Lisińska-Czekaj, Dionizy Czekaj, Agnieszka Wojteczko and Barbara Garbarz-Glos
Materials 2025, 18(15), 3690; https://doi.org/10.3390/ma18153690 - 6 Aug 2025
Abstract
Bi6Fe2Ti3O18 (BFTO) ceramics were synthesized via a solid-state reaction route using stoichiometric amounts of Bi2O3, TiO2, and Fe2O3 powders. A thermal analysis of the powder mixture was [...] Read more.
Bi6Fe2Ti3O18 (BFTO) ceramics were synthesized via a solid-state reaction route using stoichiometric amounts of Bi2O3, TiO2, and Fe2O3 powders. A thermal analysis of the powder mixture was conducted to optimize the heat treatment parameters. Energy-dispersive X-ray spectroscopy (EDS) confirmed the conservation of the chemical composition following calcination. Final densification was achieved through hot pressing. The crystal structure of the sintered samples, examined via X-ray diffraction at room temperature, revealed a tetragonal symmetry for BFTO ceramics sintered at 850 °C. Electron backscatter diffraction (EBSD) provided detailed insight into the crystallographic orientation and microstructure. Broadband dielectric spectroscopy (BBDS) was employed to investigate the dielectric response of BFTO ceramics over a frequency range of 10 mHz to 10 MHz and a temperature range of −30 °C to +200 °C. The temperature dependence of the relative permittivity (εr) and dielectric loss tangent (tan δ) were measured within a frequency range of 100 kHz to 900 kHz and a temperature range of 25 °C to 570 °C. The impedance data obtained from the BBDS measurements were validated using the Kramers–Kronig test and modeled using the Kohlrausch–Williams–Watts (KWW) function. The stretching parameter (β) ranged from ~0.72 to 0.82 in the impedance formalism within the temperature range from 200 °C to 20 °C. Full article
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14 pages, 1848 KiB  
Article
RadiomiX for Radiomics Analysis: Automated Approaches to Overcome Challenges in Replicability
by Harel Kotler, Luca Bergamin, Fabio Aiolli, Elena Scagliori, Angela Grassi, Giulia Pasello, Alessandra Ferro, Francesca Caumo and Gisella Gennaro
Diagnostics 2025, 15(15), 1968; https://doi.org/10.3390/diagnostics15151968 - 5 Aug 2025
Abstract
Background/Objectives: To simplify the decision-making process in radiomics by employing RadiomiX, an algorithm designed to automatically identify the best model combination and validate them across multiple environments was developed, thus enhancing the reliability of results. Methods: RadiomiX systematically tests classifier and feature [...] Read more.
Background/Objectives: To simplify the decision-making process in radiomics by employing RadiomiX, an algorithm designed to automatically identify the best model combination and validate them across multiple environments was developed, thus enhancing the reliability of results. Methods: RadiomiX systematically tests classifier and feature selection method combinations known to be suitable for radiomic datasets to determine the best-performing configuration across multiple train–test splits and K-fold cross-validation. The framework was validated on four public retrospective radiomics datasets including lung nodules, metastatic breast cancer, and hepatic encephalopathy using CT, PET/CT, and MRI modalities. Model performance was assessed using the area under the receiver-operating-characteristic curve (AUC) and accuracy metrics. Results: RadiomiX achieved superior performance across four datasets: LLN (AUC = 0.850 and accuracy = 0.785), SLN (AUC = 0.845 and accuracy = 0.754), MBC (AUC = 0.889 and accuracy = 0.833), and CHE (AUC = 0.837 and accuracy = 0.730), significantly outperforming original published models (p < 0.001 for LLN/SLN and p = 0.023 for MBC accuracy). When original published models were re-evaluated using ten-fold cross-validation, their performance decreased substantially: LLN (AUC = 0.783 and accuracy = 0.731), SLN (AUC = 0.748 and accuracy = 0.714), MBC (AUC = 0.764 and accuracy = 0.711), and CHE (AUC = 0.755 and accuracy = 0.677), further highlighting RadiomiX’s methodological advantages. Conclusions: Systematically testing model combinations using RadiomiX has led to significant improvements in performance. This emphasizes the potential of automated ML as a step towards better-performing and more reliable radiomic models. Full article
(This article belongs to the Section Machine Learning and Artificial Intelligence in Diagnostics)
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16 pages, 10495 KiB  
Article
Revisiting Mn4Al11: Growth of Stoichiometric Single Crystals and Their Structural and Magnetic Properties
by Roman A. Khalaniya, Andrei V. Mironov, Alexander N. Samarin, Alexey V. Bogach, Aleksandr N. Kulchu and Andrei V. Shevelkov
Crystals 2025, 15(8), 714; https://doi.org/10.3390/cryst15080714 - 4 Aug 2025
Viewed by 136
Abstract
Stoichiometric single crystals of Mn4Al11 were synthesized from the elements using Sn as a flux. The crystal structure of Mn4Al11 was investigated using single crystal X-ray diffraction and showed a complex triclinic structure with a relatively small [...] Read more.
Stoichiometric single crystals of Mn4Al11 were synthesized from the elements using Sn as a flux. The crystal structure of Mn4Al11 was investigated using single crystal X-ray diffraction and showed a complex triclinic structure with a relatively small unit cell and interpenetrating networks of Mn and Al atoms. While our results generally agree with the previously reported data in the basic structure features such as triclinic symmetry and structure type, the atomic parameters differ significantly, likely due to different synthetic techniques producing off-stoichiometry or doped crystals used in the previous works. Our structural analysis showed that the view of the Mn substructure as isolated zigzag chains is incomplete. Instead, the Mn chains are coupled in corrugated layers by long Mn-Mn bonds. The high quality of the crystals with the stoichiometric composition also enabled us to study magnetic behavior in great detail and reveal previously unobserved magnetic ordering. Our magnetization measurements showed that Mn4Al11 is an antiferromagnet with TN of 65 K. The presence of the maximum above TN also suggests strong local interactions indicative of low-dimensional magnetic behavior, which likely stems from lowered dimensionality of the Mn substructure. Full article
(This article belongs to the Section Crystalline Metals and Alloys)
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14 pages, 6988 KiB  
Article
Effect of Substrate Temperature on the Structural, Morphological, and Infrared Optical Properties of KBr Thin Films
by Teng Xu, Qingyuan Cai, Weibo Duan, Kaixuan Wang, Bojie Jia, Haihan Luo and Dingquan Liu
Materials 2025, 18(15), 3644; https://doi.org/10.3390/ma18153644 - 3 Aug 2025
Viewed by 167
Abstract
Potassium bromide (KBr) thin films were deposited by resistive thermal evaporation at substrate temperatures ranging from 50 °C to 250 °C to systematically elucidate the temperature-dependent evolution of their physical properties. Structural, morphological, and optical characteristics were examined by X-ray diffraction (XRD), scanning [...] Read more.
Potassium bromide (KBr) thin films were deposited by resistive thermal evaporation at substrate temperatures ranging from 50 °C to 250 °C to systematically elucidate the temperature-dependent evolution of their physical properties. Structural, morphological, and optical characteristics were examined by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and Fourier transform infrared spectroscopy (FTIR). The results reveal a complex, non-monotonic response to temperature rather than a simple linear trend. As the substrate temperature increases, growth evolves from a mixed polycrystalline texture to a pronounced (200) preferred orientation. Morphological analysis shows that the film surface is smoothest at 150 °C, while the microstructure becomes densest at 200 °C. These structural variations directly modulate the optical constants: the refractive index attains its highest values in the 150–200 °C window, approaching that of bulk KBr. Cryogenic temperature (6 K) FTIR measurements further demonstrate that suppression of multi-phonon absorption markedly enhances the infrared transmittance of the films. Taken together, the data indicate that 150–200 °C constitutes an optimal process window for fabricating KBr films that combine superior crystallinity, low defect density, and high packing density. This study elucidates the temperature-driven structure–property coupling and offers valuable guidance for optimizing high-performance infrared and cryogenic optical components. Full article
(This article belongs to the Special Issue Obtaining and Characterization of New Materials (5th Edition))
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12 pages, 3794 KiB  
Article
Enhanced Energy Storage Properties of Ba0.96Ca0.04TiO3 Ceramics Through Doping Bi(Li1/3Zr2/3)O3
by Zhiwei Li, Dandan Zhu, Xuqiang Ding, Lingling Cui and Junlong Wang
Coatings 2025, 15(8), 906; https://doi.org/10.3390/coatings15080906 (registering DOI) - 2 Aug 2025
Viewed by 212
Abstract
The (1−x)Ba0.96Ca0.04TiO3−xBi(Li1/3Zr2/3)O3 (x = 0.03–0.15) ceramics were fabricated via the traditional solid reaction method. Characterization results revealed that each component exhibited a pure perovskite structure, and the average grain size significantly diminishes [...] Read more.
The (1−x)Ba0.96Ca0.04TiO3−xBi(Li1/3Zr2/3)O3 (x = 0.03–0.15) ceramics were fabricated via the traditional solid reaction method. Characterization results revealed that each component exhibited a pure perovskite structure, and the average grain size significantly diminishes with increasing x. The (1−x)Ba0.96Ca0.04TiO3−xBi(Li1/3Zr2/3)O3 ceramics exhibited prominent relaxor ferroelectric behavior, whose characteristic narrow hysteresis loops effectively enhanced the energy storage performance of the material. Most importantly, the composition with x = 0.10 demonstrated exceptional energy storage properties at 150 kV/cm, achieving a high recoverable energy storage density (Wrec = 1.91 J/cm3) and excellent energy efficiency (η = 90.87%). Under the equivalent electric field, this composition also displayed a superior pulsed discharge performance, including a high current density (871 A/cm2), a high power density (67.3 MW/cm3), an ultrafast discharge time (t0.9 = 109 ns), and a discharged energy density of 1.47 J/cm3. These results demonstrate that the (1−x)Ba0.96Ca0.04TiO3−xBi(Li1/3Zr2/3)O3 ceramic system establishes a promising design paradigm for the creation and refinement of next-generation dielectrics for pulse power applications. Full article
(This article belongs to the Section Ceramic Coatings and Engineering Technology)
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19 pages, 4152 KiB  
Article
Optimization of Greenhouse Structure Parameters Based on Temperature and Velocity Distribution Characteristics by CFD—A Case Study in South China
by Xinyu Wei, Yizhi Ou, Ziwei Li, Jiaming Guo, Enli Lü, Fengxi Yang, Yanhua Liu and Bin Li
Agriculture 2025, 15(15), 1660; https://doi.org/10.3390/agriculture15151660 - 1 Aug 2025
Viewed by 230
Abstract
Greenhouses are applied to mitigate the deleterious effects of inclement weather, which facilitates the optimal growth and development of the crops. South China has a climate characterized by high temperature and high humidity, and the temperature and relative humidity inside a Venlo greenhouse [...] Read more.
Greenhouses are applied to mitigate the deleterious effects of inclement weather, which facilitates the optimal growth and development of the crops. South China has a climate characterized by high temperature and high humidity, and the temperature and relative humidity inside a Venlo greenhouse are higher than those in the atmosphere. In this paper, the numerical model of the flow distribution of a Venlo greenhouse in South China was established using the CFD method, which mainly applied the DO model, the k-e turbulence model, and the porous medium model. The porous resistance characteristics of tomatoes were obtained through experimental research. The inertial resistances of tomato plants in the x, y, and z directions were 80,000,000, 18,000,000, and 120,000,000, respectively; the viscous resistances of tomato plants in the x, y, and z directions were 0.43, 0.60, and 0.63, respectively. The porosity of tomato plants was 0.996. The average difference between the temperature of the established numerical model and the experimental temperature was less than 0.11 °C, and the average relative error was 2.72%. This research also studied the effects of five management and structure parameters on the velocity and temperature distribution in a greenhouse. The optimal inlet velocity is 1.32 m/s, with the COF of velocity and temperature being 9.23% and 1.18%, respectively. The optimal skylight opening is 1.76 m, with the COF of velocity and temperature being 10.68% and 0.88%, respectively. The optimal side window opening is 0.67 m, with the COF of velocity and temperature being 9.25% and 2.10%, respectively. The optimal side window height is 1.18 m, with the COF of velocity and temperature being 9.50% and 1.33%, respectively. The optimal planting interval is 1.40 m, with the COF of velocity and temperature being 15.29% and 0.20%, respectively. The results provide a reference for the design and management of Venlo greenhouses in South China. Full article
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22 pages, 7421 KiB  
Article
Pristimerin Dampens Acetaminophen-Induced Hepatotoxicity; The Role of NF-κB/iNOS/COX-II/Cytokines, PI3K/AKT, and BAX/BCL-2/Caspase-3 Signaling Pathways
by Mohammed A. Altowijri, Marwa E. Abdelmageed, Randa El-Gamal, Tahani Saeedi and Dina S. El-Agamy
Pharmaceutics 2025, 17(8), 1003; https://doi.org/10.3390/pharmaceutics17081003 - 31 Jul 2025
Viewed by 349
Abstract
Background: Acetaminophen (APAP) is a popular and safe pain reliever. Due to its widespread availability, it is commonly implicated in intentional or unintentional overdoses, which result in severe liver impairment. Pristimerin (Prist) is a natural triterpenoid that has potent antioxidant and anti-inflammatory properties. [...] Read more.
Background: Acetaminophen (APAP) is a popular and safe pain reliever. Due to its widespread availability, it is commonly implicated in intentional or unintentional overdoses, which result in severe liver impairment. Pristimerin (Prist) is a natural triterpenoid that has potent antioxidant and anti-inflammatory properties. Our goal was to explore the protective effects of Prist against APAP-induced acute liver damage. Method: Mice were divided into six groups: control, Prist control, N-acetylcysteine (NAC) + APAP, APAP, and two Prist + APAP groups. Prist (0.4 and 0.8 mg/kg) was given for five days and APAP on day 5. Liver and blood samples were taken 24 h after APAP administration and submitted for different biochemical and molecular assessments. Results: Prist counteracted APAP-induced acute liver damage, as it decreased general liver dysfunction biomarkers, and attenuated APAP-induced histopathological lesions. Prist decreased oxidative stress and enforced hepatic antioxidants. Notably, Prist significantly reduced the genetic and protein expressions of inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-II), p-phosphatidylinositol-3-kinase (p-PI3K), p-protein kinase B (p-AKT), and the inflammatory cytokines: nuclear factor kappa B (NF-κB), tumor necrosis factor-α (TNF-α), and interleukins-(IL-6 and IL-1β) in hepatic tissues. Additionally, the m-RNA and protein levels of the apoptotic Bcl2-associated X protein (BAX) and caspase-3 were lowered and the anti-apoptotic B-cell leukemia/lymphoma 2 (BCL-2) was increased upon Prist administration. Conclusion: Prist ameliorated APAP-induced liver injury in mice via its potent anti-inflammatory/antioxidative and anti-apoptotic activities. These effects were mediated through modulation of NF-κB/iNOS/COX-II/cytokines, PI3K/AKT, and BAX/BCL-2/caspase-3 signaling pathways. Full article
(This article belongs to the Section Drug Targeting and Design)
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21 pages, 5366 KiB  
Article
Multifaceted Analysis of Pr2Fe16.75Ni0.25 Intermetallic Compound: Crystallographic Insights, Critical Phenomena, and Thermomagnetic Behavior near Room Temperature
by Jihed Horcheni, Hamdi Jaballah, Sirine Gharbi, Essebti Dhahri and Lotfi Bessais
Magnetochemistry 2025, 11(8), 65; https://doi.org/10.3390/magnetochemistry11080065 - 31 Jul 2025
Viewed by 98
Abstract
The alloy Pr2Fe16.75Ni0.25 has been examined to investigate its structural properties, critical behavior, and magnetocaloric effects. Rietveld’s refinement of X-ray diffraction patterns has revealed a rhombohedral structure with an R3¯m space group. Pr2Fe [...] Read more.
The alloy Pr2Fe16.75Ni0.25 has been examined to investigate its structural properties, critical behavior, and magnetocaloric effects. Rietveld’s refinement of X-ray diffraction patterns has revealed a rhombohedral structure with an R3¯m space group. Pr2Fe16.9Ni0.25 also demonstrates a direct magnetocaloric effect near room temperature, accompanied by a moderate magnetic entropy change (ΔSMmax = 5.5 J kg−1 K−1 at μ0ΔH=5 T) and a broad working temperature range. Furthermore, the Relative Cooling Power (RCP) is approximately 89% of the widely recognized gadolinium (Gd) for μ0ΔH=2 T. This compound exhibits a commendable magnetocaloric response, on par with or even surpassing that of numerous other intermetallic alloys. Critical behavior was analyzed using thermo-magnetic measurements, employing methods such as the modified Arrott plot, critical isotherm analysis, and Kouvel-Fisher techniques. The obtained critical exponents (β, γ, and δ) exhibit similarities to those of the 3D-Ising model, characterized explicitly by intermediate range interactions. Full article
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22 pages, 9293 KiB  
Article
Thermal Stability of the Ultra-Fine-Grained Structure and Mechanical Properties of AlSi7MgCu0.5 Alloy Processed by Equal Channel Angular Pressing at Room Temperature
by Miloš Matvija, Martin Fujda, Ondrej Milkovič, Marek Vojtko and Katarína Gáborová
Crystals 2025, 15(8), 701; https://doi.org/10.3390/cryst15080701 - 31 Jul 2025
Viewed by 182
Abstract
Understanding the limitations of cold-formed aluminum alloys in practice applications is essential, particularly due to the risk of substructural changes and a reduction in strength when exposed to elevated temperatures. In this study, the thermal stability of the ultra-fine-grained (UFG) structure formed by [...] Read more.
Understanding the limitations of cold-formed aluminum alloys in practice applications is essential, particularly due to the risk of substructural changes and a reduction in strength when exposed to elevated temperatures. In this study, the thermal stability of the ultra-fine-grained (UFG) structure formed by equal channel angular pressing (ECAP) at room temperature and the mechanical properties of the AlSi7MgCu0.5 alloy were investigated. Prior to ECAP, the plasticity of the as-cast alloy was enhanced by a heat treatment consisting of solution annealing, quenching, and artificial aging to achieve an overaged state. Four repetitive passes via ECAP route A resulted in the homogenization of eutectic Si particles within the α-solid solution, the formation of ultra-fine grains and/or subgrains with high dislocation density, and a significant improvement in alloy strength due to strain hardening. The main objective of this work was to assess the microstructural and mechanical stability of the alloy after post-ECAP annealing in the temperature range of 373–573 K. The UFG microstructure was found to be thermally stable up to 523 K, above which notable grain and/or subgrain coarsening occurred as a result of discontinuous recrystallization of the solid solution. Mechanical properties remained stable up to 423 K; above this temperature, a considerable decrease in strength and a simultaneous increase in ductility were observed. Synchrotron radiation X-ray diffraction (XRD) was employed to analyze the phase composition and crystallographic characteristics, while transmission electron microscopy (TEM) was used to investigate substructural evolution. Mechanical properties were evaluated through tensile testing, impact toughness testing, and hardness measurements. Full article
(This article belongs to the Special Issue Celebrating the 10th Anniversary of International Crystallography)
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20 pages, 3925 KiB  
Article
Anchor Biochar from Potato Peels with Magnetite Nanoparticles for Solar Photocatalytic Treatment of Oily Wastewater Effluent
by Manasik M. Nour, Hossam A. Nabwey and Maha A. Tony
Catalysts 2025, 15(8), 731; https://doi.org/10.3390/catal15080731 - 31 Jul 2025
Viewed by 203
Abstract
The current work is established with the object of modifying the source of Fenton system and substituting iron source as a catalyst with magnetite/potato peels composite material (POT400-M) to be an innovative solar photocatalyst. The structural and morphological characteristics of the material are [...] Read more.
The current work is established with the object of modifying the source of Fenton system and substituting iron source as a catalyst with magnetite/potato peels composite material (POT400-M) to be an innovative solar photocatalyst. The structural and morphological characteristics of the material are assessed through X-ray diffraction (XRD) and scanning electron microscopy (SEM). The technique is applied to treat oil spills that pollute seawater. The effectiveness of the operating parameters is studied, and numerical optimization is applied to optimize the most influential parameters on the system, including POT400-M catalyst (47 mg/L) and hydrogen peroxide reagent (372 mg/L) at pH 5.0, to maximize oil removal, reaching 93%. Also, the aqueous solution and wastewater temperature on the oxidation reaction is evaluated and the reaction exhibited an exothermic nature. Kinetic modeling is evaluated, and the reaction is found to follow the second-order kinetic model. Thermodynamic examination of the data exhibits negative enthalpy (ΔH′) values, confirming that the reaction is exothermic, and the system is verified to be able to perform at the minimal activation energy barrier (−51.34 kJ/mol). Full article
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14 pages, 2351 KiB  
Article
Facile SEI Improvement in the Artificial Graphite/LFP Li-Ion System: Via NaPF6 and KPF6 Electrolyte Additives
by Sepehr Rahbariasl and Yverick Rangom
Energies 2025, 18(15), 4058; https://doi.org/10.3390/en18154058 - 31 Jul 2025
Viewed by 346
Abstract
In this work, graphite anodes and lithium iron phosphate (LFP) cathodes are used to examine the effects of sodium hexafluorophosphate (NaPF6) and potassium hexafluorophosphate (KPF6) electrolyte additives on the formation of the solid electrolyte interphase and the performance of [...] Read more.
In this work, graphite anodes and lithium iron phosphate (LFP) cathodes are used to examine the effects of sodium hexafluorophosphate (NaPF6) and potassium hexafluorophosphate (KPF6) electrolyte additives on the formation of the solid electrolyte interphase and the performance of lithium-ion batteries in both half-cell and full-cell designs. The objective is to assess whether these additives may increase cycle performance, decrease irreversible capacity loss, and improve interfacial stability. Compared to the control electrolyte (1.22 M Lithium hexafluorophosphate (LiPF6)), cells with NaPF6 and KPF6 additives produced less SEI products, which decreased irreversible capacity loss and enhanced initial coulombic efficiency. Following the formation of the solid electrolyte interphase, the specific capacity of the control cell was 607 mA·h/g, with 177 mA·h/g irreversible capacity loss. In contrast, irreversible capacity loss was reduced by 38.98% and 37.85% in cells containing KPF6 and NaPF6 additives, respectively. In full cell cycling, a considerable improvement in capacity retention was achieved by adding NaPF6 and KPF6. The electrolyte, including NaPF6, maintained 67.39% greater capacity than the LiPF6 baseline after 20 cycles, whereas the electrolyte with KPF6 demonstrated a 30.43% improvement, indicating the positive impacts of these additions. X-ray photoelectron spectroscopy verified that sodium (Na+) and potassium (K+) ions were present in the SEI of samples containing NaPF6 and KPF6. While K+ did not intercalate in LFP, cyclic voltammetry confirmed that Na+ intercalated into LFP with negligible impact on the energy storage of full cells. These findings demonstrate that NaPF6 and KPF6 are suitable additions for enhancing lithium-ion battery performance in the popular artificial graphite/LFP system. Full article
(This article belongs to the Special Issue Research on Electrolytes Used in Energy Storage Systems)
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16 pages, 3171 KiB  
Article
A Simple and Rapid Synthesis of Spherical Silver Phosphate (Ag3PO4) and Its Antimicrobial Activity in Plant Tissue Culture
by Nongnuch Laohavisuti, Banjong Boonchom, Pesak Rungrojchaipon, Wimonmat Boonmee, Somkiat Seesanong and Sirichet Punthipayanon
Int. J. Mol. Sci. 2025, 26(15), 7371; https://doi.org/10.3390/ijms26157371 - 30 Jul 2025
Viewed by 284
Abstract
A simple and rapid precipitation process was successfully employed to prepare silver phosphate (SP, Ag3PO4). Two different phosphate sources: diammonium hydrogen phosphate ((NH4)2HPO4) and dipotassium hydrogen phosphate (K2HPO4) were [...] Read more.
A simple and rapid precipitation process was successfully employed to prepare silver phosphate (SP, Ag3PO4). Two different phosphate sources: diammonium hydrogen phosphate ((NH4)2HPO4) and dipotassium hydrogen phosphate (K2HPO4) were applied separately as the precursor, obtaining ((NH4)2HPO4) and K2HPO4 derived SP powders, named SP-A or SP-P, respectively. Fourier transform infrared (FTIR) spectra pointed out the vibrational characteristics of P–O and O–P–O interactions, confirming the presence of the PO43– functional group for SP. X-ray diffraction (XRD) patterns revealed that the SP crystallized in a cubic crystal structure. Whereas the field emission scanning electron microscope (FESEM) exposed spherical SP particles. The potentially antibacterial activity of SP-A and SP-P against bacterial Bacillus stratosphericus, yeast Meyerozyma guilliermondii, and fungal Phanerodontia chrysosporium was subsequently investigated. All studied microorganisms were recovered and isolated from the aquatic plant during the tissue culture process. The preliminary result of the antimicrobial test revealed that SP-A has higher antimicrobial activity than SP-P. The superior antimicrobial efficiency of SP-A compared to SP-P may be attributed to its purity and crystallite size, which provide a higher surface area and more active sites. In addition, the presence of potassium-related impurities in SP-P could have negatively affected its antimicrobial performance. These findings suggest that SP holds potential as an antimicrobial agent for maintaining sterility in tissue cultures, particularly in aquatic plant systems. The growth of both B. stratosphericus and M. guilliermondii was suppressed effectively at 30 ppm SP-A, whereas 10 ppm of SP-A can suppress P. chrysosporium development. This present work also highlights the potential of SP at very low concentrations (10–30 ppm) for utilization as an effective antimicrobial agent in tissue culture, compared to a commercial antimicrobial agent, viz., acetic acid, at the same concentration. Full article
(This article belongs to the Special Issue Antimicrobial Materials: Molecular Developments and Applications)
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13 pages, 1186 KiB  
Article
Targeting the Cell Wall Salvage Pathway: Dual-Enzyme Inhibition of AmgK and MurU as a Strategy Against Antibiotic Resistance
by Hwa Young Kim, Seri Jo, Mi-Sun Kim and Dong Hae Shin
Int. J. Mol. Sci. 2025, 26(15), 7368; https://doi.org/10.3390/ijms26157368 - 30 Jul 2025
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Abstract
The rise of multidrug-resistant Pseudomonas aeruginosa underscores the need for novel therapeutic targets beyond conventional peptidoglycan biosynthesis. Some bacterial strains bypass MurA inhibition by fosfomycin via a cell wall salvage pathway. This study targeted P. aeruginosa AmgK (PaAmgK) and MurU ( [...] Read more.
The rise of multidrug-resistant Pseudomonas aeruginosa underscores the need for novel therapeutic targets beyond conventional peptidoglycan biosynthesis. Some bacterial strains bypass MurA inhibition by fosfomycin via a cell wall salvage pathway. This study targeted P. aeruginosa AmgK (PaAmgK) and MurU (PaMurU) to identify inhibitors that could complement fosfomycin therapy. A malachite-green-based dual-enzyme assay enabled efficient activity measurements and high-throughput chemical screening. Screening 232 compounds identified Congo red and CTAB as potent PaMurU inhibitors. A targeted mass spectrometric analysis confirmed the selective inhibition of PaMurU relative to that of PaAmgK. Molecular docking simulations indicate that Congo red preferentially interacts with PaMurU through electrostatic contacts, primarily involving the residues Arg28 and Arg202. The binding of Congo red to PaMurU was corroborated further using SUPR-differential scanning fluorimetry (SUPR-DSF), which revealed ligand-induced thermal destabilization. Ongoing X-ray crystallographic studies, in conjunction with site-directed mutagenesis and enzyme kinetic analyses, aim to elucidate the binding mode at an atomic resolution. Full article
(This article belongs to the Section Molecular Microbiology)
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