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Search Results (2,201)

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Keywords = t13C16O2

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16 pages, 2366 KiB  
Article
ZnO-Assisted Synthesis of Rouaite (Cu2(OH)3NO3) Long Hexagonal Multilayered Nanoplates Towards Catalytic Wet Peroxide Oxidation Application
by Guang Yao Zhou, Jun Guo and Ji Hong Wu
Crystals 2025, 15(8), 710; https://doi.org/10.3390/cryst15080710 (registering DOI) - 2 Aug 2025
Abstract
Rouaite (Cu2(OH)3NO3) long hexagonal multilayered nanoplates with high purity and high crystallinity were prepared from acidic reaction solution (pH = 4.4–4.8) with the assistance of ZnO. The ZnO-assisted strategy is remarkably different from the conventional synthetic protocol [...] Read more.
Rouaite (Cu2(OH)3NO3) long hexagonal multilayered nanoplates with high purity and high crystallinity were prepared from acidic reaction solution (pH = 4.4–4.8) with the assistance of ZnO. The ZnO-assisted strategy is remarkably different from the conventional synthetic protocol that was regularly carried out in alkaline solution (pH > 11). The rouaite multilayer nanoplates displayed exceptionally high catalytic activity in the catalytic wet peroxide oxidation (CWPO) of Congo red (CR). The catalytic efficiency for CR decolorization achieved an impressive 96.3% in 50 min under near-neutral (pH = 6.76) and ambient conditions (T = 20 °C, p = 1 atm), without increasing the temperature and/or decreasing the pH value to acidic region (pH = 2–3) as is commonly employed in CWPO process for improved degradation efficiency. Full article
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0 pages, 2035 KiB  
Article
A Stable Metal Chalcogenide Cluster-Based Framework Decorated with Transition Metal Complexes for an Efficient Electrocatalytic O2 Reduction Reaction
by Xiang Wang, Juan Li and Tao Wu
Nanomaterials 2025, 15(15), 1186; https://doi.org/10.3390/nano15151186 (registering DOI) - 1 Aug 2025
Abstract
Highly efficient and stable non-Pt-based electrocatalysts for oxygen reduction reactions (ORRs) are highly desirable in energy conversion and storage systems. Herein, we report a hydrothermally synthesized metal chalcogenide cluster-based framework (NCF-3-Mn), which is decorated with transition metal complexes ([Mn(TEPA)]2+, TEPA = [...] Read more.
Highly efficient and stable non-Pt-based electrocatalysts for oxygen reduction reactions (ORRs) are highly desirable in energy conversion and storage systems. Herein, we report a hydrothermally synthesized metal chalcogenide cluster-based framework (NCF-3-Mn), which is decorated with transition metal complexes ([Mn(TEPA)]2+, TEPA = tetraethylenepentamine), for an electrocatalytic O2 reduction reaction (ORR). Benefitting from the abundant Mn-S bonds and Mn-N-C structures in NCF-3-Mn, it was found that NCF-3-Mn displayed a high onset potential (0.90 V) and an efficient four-electron transfer reaction pathway, which are much better than those of its analogue framework (T2-GaSbS). Moreover, NCF-3-Mn also exhibited a considerable long-term stability and methanol resistance toward ORRs. This work will present new opportunities for exploring the utilization of chalcogenide frameworks as novel non-Pt electrocatalysts for ORRs. Full article
(This article belongs to the Collection Micro/Nanoscale Open Framework Materials (OFMs))
0 pages, 3586 KiB  
Article
Enhanced NiFe2O4 Catalyst Performance and Stability in Anion Exchange Membrane Water Electrolysis: Influence of Iron Content and Membrane Selection
by Khaja Wahab Ahmed, Aidan Dobson, Saeed Habibpour and Michael Fowler
Molecules 2025, 30(15), 3228; https://doi.org/10.3390/molecules30153228 (registering DOI) - 1 Aug 2025
Abstract
Anion exchange membrane (AEM) water electrolysis is a potentially inexpensive and efficient source of hydrogen production as it uses effective low-cost catalysts. The catalytic activity and performance of nickel iron oxide (NiFeOx) catalysts for hydrogen production in AEM water electrolyzers were [...] Read more.
Anion exchange membrane (AEM) water electrolysis is a potentially inexpensive and efficient source of hydrogen production as it uses effective low-cost catalysts. The catalytic activity and performance of nickel iron oxide (NiFeOx) catalysts for hydrogen production in AEM water electrolyzers were investigated. The NiFeOx catalysts were synthesized with various iron content weight percentages, and at the stoichiometric ratio for nickel ferrite (NiFe2O4). The catalytic activity of NiFeOx catalyst was evaluated by linear sweep voltammetry (LSV) and chronoamperometry for the oxygen evolution reaction (OER). NiFe2O4 showed the highest activity for the OER in a three-electrode system, with 320 mA cm−2 at 2 V in 1 M KOH solution. NiFe2O4 displayed strong stability over a 600 h period at 50 mA cm−2 in a three-electrode setup, with a degradation rate of 15 μV/h. In single-cell electrolysis using a X-37 T membrane, at 2.2 V in 1 M KOH, the NiFe2O4 catalyst had the highest activity of 1100 mA cm−2 at 45 °C, which increased with the temperature to 1503 mA cm−2 at 55 °C. The performance of various membranes was examined, and the highest performance of the tested membranes was determined to be that of the Fumatech FAA-3-50 and FAS-50 membranes, implying that membrane performance is strongly correlated with membrane conductivity. The obtained Nyquist plots and equivalent circuit analysis were used to determine cell resistances. It was found that ohmic resistance decreases with an increase in temperature from 45 °C to 55 °C, implying the positive effect of temperature on AEM electrolysis. The FAA-3-50 and FAS-50 membranes were determined to have lower activation and ohmic resistances, indicative of higher conductivity and faster membrane charge transfer. NiFe2O4 in an AEM water electrolyzer displayed strong stability, with a voltage degradation rate of 0.833 mV/h over the 12 h durability test. Full article
(This article belongs to the Special Issue Water Electrolysis)
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15 pages, 3707 KiB  
Article
Saussurea involucrata CML6 Enhances Freezing Tolerance by Activating Antioxidant Defense and the CBF-COR Pathway in Plants
by Mengjuan Hou, Hui Kong, Jin Li, Wenwen Xia and Jianbo Zhu
Plants 2025, 14(15), 2360; https://doi.org/10.3390/plants14152360 - 1 Aug 2025
Abstract
Low-temperature stress severely limits plant growth and reduces agricultural productivity. Calmodulin-like (CML) proteins are crucial calcium sensors in plant cold responses. Transcriptome analysis of cold-stressed Saussurea involucrata identified seven differentially expressed CML genes. qRT-PCR confirmed that SiCML6 was strongly induced at 4 °C [...] Read more.
Low-temperature stress severely limits plant growth and reduces agricultural productivity. Calmodulin-like (CML) proteins are crucial calcium sensors in plant cold responses. Transcriptome analysis of cold-stressed Saussurea involucrata identified seven differentially expressed CML genes. qRT-PCR confirmed that SiCML6 was strongly induced at 4 °C and −2 °C. Bioinformatics analysis showed that SiCML6 encodes a transmembrane protein containing an EF-hand domain. This protein carries a signal peptide and shows the closest phylogenetic relationship to Helianthus annuus CML3. Its promoter contains ABA, methyl jasmonate (MeJA), and cold-response elements. Arabidopsis plants overexpressing SiCML6 showed significantly higher survival rates at −2 °C than wild-type plants. Under freezing stress, SiCML6-overexpressing lines exhibited reduced malondialdehyde content, relative electrolyte leakage, and ROS accumulation (H2O2 and O2), along with increased proline, soluble sugars, soluble proteins, and total antioxidant capacity (T-AOC). SiCML6 elevated the expression of cold-responsive genes CBF3 and COR15a under normal conditions and further upregulated CBF1/2/3 and COR15a at 4 °C. Thus, low temperatures induced SiCML6 expression, which was potentially regulated by ABA/MeJA. SiCML6 enhances freezing tolerance by mitigating oxidative damage through boosted T-AOC and osmoprotectant accumulation while activating the CBF-COR signaling pathway. This gene is a novel target for improving crop cold resistance. Full article
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15 pages, 5148 KiB  
Article
Effect of Kr15+ Ion Irradiation on the Structure and Properties of PSZ Ceramics
by Madi Abilev, Almira Zhilkashinova, Leszek Łatka, Alexandr Pavlov, Igor Karpov, Leonid Fedorov and Sergey Gert
Ceramics 2025, 8(3), 95; https://doi.org/10.3390/ceramics8030095 (registering DOI) - 31 Jul 2025
Viewed by 39
Abstract
This article deals with the effect of Kr15+ ion irradiation on the structure and properties of partially stabilized zirconium dioxide (ZrO2 + 3 mol. % Y2O3) ceramics. Ion irradiation is used to simulate radiation damage typical of [...] Read more.
This article deals with the effect of Kr15+ ion irradiation on the structure and properties of partially stabilized zirconium dioxide (ZrO2 + 3 mol. % Y2O3) ceramics. Ion irradiation is used to simulate radiation damage typical of operating conditions in nuclear reactors and space technology. It is shown that with an increase in the irradiation fluence, point defects are formed, dislocations accumulate, and the crystal lattice parameters change. At high fluences (>1013 ions/cm2), a phase transition of the monoclinic (m-ZrO2) phase to the tetragonal (t-ZrO2) and cubic (c-ZrO2) modifications is observed, which is accompanied by a decrease in the crystallite size and an increase in internal stresses. Changes in the mechanical properties of the material were also observed: at moderate irradiation fluences, strengthening is observed due to the formation of dislocation structures, whereas at high fluences (>1014 ions/cm2), a decrease in strength and a potential amorphization of the structure begins. The change in the phase composition was confirmed by X-ray phase analysis and Raman spectroscopy. The results obtained allow a deeper understanding of the mechanisms of radiation-induced phase transformations in stabilized ZrO2 and can be used in the development of ceramic materials with increased radiation resistance. Full article
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33 pages, 403 KiB  
Article
Some Further Insight into the Sturm–Liouville Theory
by Salvatore De Gregorio, Lamberto Lamberti and Paolo De Gregorio
Mathematics 2025, 13(15), 2405; https://doi.org/10.3390/math13152405 - 26 Jul 2025
Viewed by 111
Abstract
Some classical texts on the Sturm–Liouville equation (p(x)y)q(x)y+λρ(x)y=0 are revised to highlight further properties of its solutions. Often, in the [...] Read more.
Some classical texts on the Sturm–Liouville equation (p(x)y)q(x)y+λρ(x)y=0 are revised to highlight further properties of its solutions. Often, in the treatment of the ensuing integral equations, ρ=const is assumed (and, further, ρ=1). Instead, here we preserve ρ(x) and make a simple change only of the independent variable that reduces the Sturm–Liouville equation to yq(x)y+λρ(x)y=0. We show that many results are identical with those with λρq=const. This is true in particular for the mean value of the oscillations and for the analog of the Riemann–Lebesgue Theorem. From a mechanical point of view, what is now the total energy is not a constant of the motion, and nevertheless, the equipartition of the energy is still verified and, at least approximately, it does so also for a class of complex λ. We provide here many detailed properties of the solutions of the above equation, with ρ=ρ(x). The conclusion, as we may easily infer, is that, for large enough λ, locally, the solutions are trigonometric functions. We give the proof for the closure of the set of solutions through the Phragmén–Lindelöf Theorem, and show the separate dependence of the solutions from the real and imaginary components of λ. The particular case of q(x)=αρ(x) is also considered. A direct proof of the uniform convergence of the Fourier series is given, with a statement identical to the classical theorem. Finally, the proof of J. von Neumann of the completeness of the Laguerre and Hermite polynomials in non-compact sets is revisited, without referring to generating functions and to the Weierstrass Theorem for compact sets. The possibility of the existence of a general integral transform is then investigated. Full article
30 pages, 435 KiB  
Article
Dombi Aggregation of Trapezoidal Neutrosophic Number for Charging Station Decision-Making
by Mohammed Alqahtani
Symmetry 2025, 17(8), 1195; https://doi.org/10.3390/sym17081195 - 26 Jul 2025
Viewed by 162
Abstract
In engineering and decision sciences, trapezoidal-valued neutrosophic fuzzy numbers (TzVNFNs) have become effective tools for managing imprecision and uncertainty in multi-attribute group decision-making (MAGDM) problems. This work introduces accumulation operators based on the Dombi t-norm [...] Read more.
In engineering and decision sciences, trapezoidal-valued neutrosophic fuzzy numbers (TzVNFNs) have become effective tools for managing imprecision and uncertainty in multi-attribute group decision-making (MAGDM) problems. This work introduces accumulation operators based on the Dombi t-norm (DTn) and Dombi t-conorm (DTcn) specifically designed for TzVNFNs. These operators enhance the flexibility, consistency, and fairness of the aggregation process. To demonstrate their practical applicability, we propose three novel geometric aggregation operator’s namely, the trapezoidal-valued neutrosophic fuzzy Dombi weighted geometric (TzVNFDWG), the trapezoidal-valued neutrosophic fuzzy Dombi ordered weighted geometric (TzVNFDOWG), and the trapezoidal-valued neutrosophic fuzzy Dombi hybrid Geometric (TzVNFDHG) operators. These are incorporated into a systematic MAGDM framework to support the selection of optimal locations for charging stations. Comparative analysis with current decision-making methodologies highlights the efficacy and benefits of the suggested method. The suggested method provides a flexible and mathematically based choice framework designed for uncertain condition. Full article
(This article belongs to the Section Mathematics)
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13 pages, 1394 KiB  
Article
Cucurbitacin E Suppresses Adipogenesis and Lipid Accumulation in 3T3-L1 Adipocytes Without Cytotoxicity
by Tien-Chou Soong, Kuan-Ting Lee, Yi-Chiang Hsu and Tai-Hsin Tsai
Biomedicines 2025, 13(8), 1826; https://doi.org/10.3390/biomedicines13081826 - 25 Jul 2025
Viewed by 258
Abstract
Background: Cucurbitacin E (CuE), a natural tetracyclic triterpenoid compound extracted from the melon stems of Cucurbitaceae plants, has been reported to exhibit anti-inflammatory and anti-cancer properties, along with the ability to enhance cellular immunity. However, its role and molecular mechanism in regulating [...] Read more.
Background: Cucurbitacin E (CuE), a natural tetracyclic triterpenoid compound extracted from the melon stems of Cucurbitaceae plants, has been reported to exhibit anti-inflammatory and anti-cancer properties, along with the ability to enhance cellular immunity. However, its role and molecular mechanism in regulating lipid metabolism and adipogenesis remain unclear. This study aims to investigate the potential anti-adipogenic and anti-obesity effects of CuE in 3T3-L1 adipocytes. Materials and Methods: 3T3-L1 preadipocytes were cultured and induced to differentiate using a standard adipogenic cocktail containing dexamethasone, 3-isobutyl-1-methylxanthine (IBMX), and insulin (DMI). CuE was administered during the differentiation process at various concentrations. Lipid accumulation was assessed using Oil Red O staining, and cell viability was evaluated via the MTT assay. To determine whether CuE induced apoptosis or necrosis, flow cytometry was performed using annexin V/PI staining. Additional molecular analyses, such as Western blotting and RT-PCR, were used to examine the expression of key adipogenic markers. Results: Treatment with CuE significantly reduced lipid droplet formation in DMI-induced 3T3-L1 adipocytes in a dose-dependent manner, as shown by decreased Oil Red O staining. Importantly, CuE did not induce apoptosis or necrosis in 3T3-L1 cells at effective concentrations, indicating its safety toward normal adipocytes. Moreover, CuE treatment downregulated the expression of adipogenic markers such as PPARγ and C/EBPα at both mRNA and protein levels. Discussion: Our findings suggest that CuE exerts a non-cytotoxic inhibitory effect on adipocyte differentiation and lipid accumulation. This anti-adipogenic effect is likely mediated through the suppression of key transcription factors involved in adipogenesis. The absence of cytotoxicity supports the potential application of CuE as a safe bioactive compound for obesity management. Further investigation is warranted to elucidate the upstream signaling pathways and in vivo efficacy of CuE. Conclusions: Cucurbitacin E effectively inhibits adipogenesis in 3T3-L1 adipocytes without inducing cytotoxic effects, making it a promising candidate for the development of functional foods or therapeutic agents aimed at preventing or treating obesity. This study provides new insights into the molecular basis of CuE’s anti-obesity action and highlights its potential as a natural lipogenesis inhibitor. Full article
(This article belongs to the Section Cell Biology and Pathology)
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18 pages, 2562 KiB  
Article
Enhancing the Solubility and Oral Bioavailability of Trimethoprim Through PEG-PLGA Nanoparticles: A Comprehensive Evaluation of In Vitro and In Vivo Performance
by Yaxin Zhou, Guonian Dai, Jing Xu, Weibing Xu, Bing Li, Shulin Chen and Jiyu Zhang
Pharmaceutics 2025, 17(8), 957; https://doi.org/10.3390/pharmaceutics17080957 - 24 Jul 2025
Viewed by 246
Abstract
Background/Objectives: Trimethoprim (TMP), a sulfonamide antibacterial synergist, is widely used in antimicrobial therapy owing to its broad-spectrum activity and clinical efficacy in treating respiratory, urinary tract, and gastrointestinal infections. However, its application is limited due to poor aqueous solubility, a short elimination half-life [...] Read more.
Background/Objectives: Trimethoprim (TMP), a sulfonamide antibacterial synergist, is widely used in antimicrobial therapy owing to its broad-spectrum activity and clinical efficacy in treating respiratory, urinary tract, and gastrointestinal infections. However, its application is limited due to poor aqueous solubility, a short elimination half-life (t1/2), and low bioavailability. In this study, we proposed TMP loaded by PEG-PLGA polymer nanoparticles (NPs) to increase its efficacy. Methods: We synthesized and thoroughly characterized PEG-PLGA NPs loaded with TMP using an oil-in-water (O/W) emulsion solvent evaporation method, denoted as PEG-PLGA/TMP NPs. Drug loading capacity (LC) and encapsulation efficiency (EE) were quantified by ultra-performance liquid chromatography (UPLC). Comprehensive investigations were conducted on the stability of PEG-PLGA/TMP NPs, in vitro drug release profiles, and in vivo pharmacokinetics. Results: The optimized PEG-PLGA/TMP NPs displayed a high LC of 34.0 ± 1.6%, a particle size of 245 ± 40 nm, a polydispersity index (PDI) of 0.103 ± 0.019, a zeta potential of −23.8 ± 1.2 mV, and an EE of 88.2 ± 4.3%. The NPs remained stable at 4 °C for 30 days and under acidic conditions. In vitro release showed sustained biphasic kinetics and enhanced cumulative release, 86% at pH 6.8, aligning with first-order models. Pharmacokinetics in rats revealed a 2.82-fold bioavailability increase, prolonged half-life 2.47 ± 0.19 h versus 0.72 ± 0.08 h for free TMP, and extended MRT 3.10 ± 0.11 h versus 1.27 ± 0.11 h. Conclusions: PEG-PLGA NPs enhanced the solubility and oral bioavailability of TMP via high drug loading, stability, and sustained-release kinetics, validated by robust in vitro-in vivo correlation, offering a promising alternative for clinical antimicrobial therapy. Full article
(This article belongs to the Section Physical Pharmacy and Formulation)
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16 pages, 2308 KiB  
Article
Reconstructing of Satellite-Derived CO2 Using Multiple Environmental Variables—A Case Study in the Provinces of Huai River Basin, China
by Yuxin Zhu, Ying Zhang, Linping Zhu and Jinzong Zhang
Atmosphere 2025, 16(8), 903; https://doi.org/10.3390/atmos16080903 - 24 Jul 2025
Viewed by 185
Abstract
The introduction of the ”dual carbon” target has increased the need for products that can accurately measure carbon dioxide levels, reflecting the rising demand. Due to challenges in achieving the required spatiotemporal resolution, accuracy, and spatial continuity with current carbon dioxide concentration products, [...] Read more.
The introduction of the ”dual carbon” target has increased the need for products that can accurately measure carbon dioxide levels, reflecting the rising demand. Due to challenges in achieving the required spatiotemporal resolution, accuracy, and spatial continuity with current carbon dioxide concentration products, it is essential to explore methods for obtaining carbon dioxide concentration products with completeness in space and time. Based on the 2018 OCO-2 carbon dioxide products and environmental variables such as vegetation coverage (FVC, LAI), net primary productivity (NPP), relative humidity (RH), evapotranspiration (ET), temperature (T) and wind (U, V), this study constructed a multiple regression model to obtain the spatial continuous carbon dioxide concentration products in the provinces of Huai River Basin. Using indicators such as correlation coefficient, root mean square error (RMSE), local variance, and percentage of valid pixels, the performance of model was validated. The validation results are shown as follows: (1) Among the selected environmental variables, the primary factors affecting the spatiotemporal distribution of carbon dioxide concentration are ET, LAI, FVC, NPP, T, U, and RH. (2) Compared with the OCO-2 carbon dioxide products, the percentage of valid pixels of the reconstructed carbon dioxide concentration data increased from less than 1% to over 90%. (3) The local variance in reconstructed data was significantly larger than that of original OCO-2 CO2 products. (4) The average monthly RMSE is 2.69. Therefore, according to the model developed in this study, we can obtain a carbon dioxide concentration dataset that is spatially complete, meets precision requirements, and is rich in local detail information, which can better reflect the spatial pattern of carbon dioxide concentration and can be used to examine the carbon cycle between the terrestrial environment, biosphere, and atmosphere. Full article
(This article belongs to the Section Air Quality)
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20 pages, 2635 KiB  
Article
Regulation of CH4 and N2O Emissions by Biochar Application in a Salt-Affected Sorghum Farmland
by Yibo Zhao, Wei Yang, Zhongyi Qu, Liping Wang, Yixuan Yang and Yusheng Hao
Agriculture 2025, 15(15), 1592; https://doi.org/10.3390/agriculture15151592 - 24 Jul 2025
Viewed by 216
Abstract
The ameliorative mechanism of biochar in reducing soil greenhouse gas emissions in arid saline farmland remains unclear. A two-year field study in sorghum farmland in China’s Hetao Irrigation District was conducted to assess the influence of corn straw-derived biochar on GHG emissions and [...] Read more.
The ameliorative mechanism of biochar in reducing soil greenhouse gas emissions in arid saline farmland remains unclear. A two-year field study in sorghum farmland in China’s Hetao Irrigation District was conducted to assess the influence of corn straw-derived biochar on GHG emissions and explore the role of soil physicochemical properties in regulating GHG fluxes. Four different biochar application rates were tested: 0 (CK), 15 (C15), 30 (C30), and 45 t hm−2 (C45). Compared to CK, C15 reduced CH4 emissions by 15.2% and seasonal CH4 flux by 77.0%. The N2O flux followed CK > C45 > C30 > C15 from 2021 to 2022. C15 and C30 significantly decreased GWP, mitigating GHG emission intensity. Biochar application enhanced sorghum grain yield. Soil temperature was the primary determinant of CH4 flux (total effect = 0.92). In the second year, biochar’s influence on CH4 emissions increased by 0.76. Multivariate SEM identified soil moisture (total effect = −0.72) and soil temperature (total effect = −0.70) as primary negative regulators of N2O fluxes. C40 lead to salt accumulation, which increases CH4 emissions but inhibits N2O emissions. Averaged over two years, GWP under C15 and C30 decreased by 76.5–106.7% and 5.3–56.1%, respectively, compared to CK. Overall, the application of biochar at a rate of 15 t hm−2 significantly reduced CH4 and N2O emissions and increased sorghum yield. Full article
(This article belongs to the Section Agricultural Soils)
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16 pages, 2103 KiB  
Article
Pilot-Scale Fenton-like System for Wastewater Treatment Using Iron Mud Carbon Catalyst
by Lia Wang, Lan Liang, Jinglei Xu, Yanshan Wang, Beibei Yan, Guanyi Chen, Ning Li and Li’an Hou
Appl. Sci. 2025, 15(15), 8210; https://doi.org/10.3390/app15158210 - 23 Jul 2025
Viewed by 190
Abstract
Fenton oxidation can contribute to meeting effluent standards for COD in actual wastewater treatment plant effluents. However, Fenton oxidation is prone to produce iron sludge waste. The application of heterogeneous Fenton-like systems based on Fenton iron mud carbon in wastewater treatment plants is [...] Read more.
Fenton oxidation can contribute to meeting effluent standards for COD in actual wastewater treatment plant effluents. However, Fenton oxidation is prone to produce iron sludge waste. The application of heterogeneous Fenton-like systems based on Fenton iron mud carbon in wastewater treatment plants is essential for Fenton iron mud reduction and recycling. In this study, a Fenton iron mud carbon catalyst/Ferrate salts/H2O2 (FSC/Fe(VI)/H2O2) system was developed to remove chemical oxygen demand (COD) from secondary effluents at the pilot scale. The results showed that the FSC/Fe(VI)/H2O2 system exhibited excellent COD removal performance with a removal rate of 57% under slightly neutral conditions in laboratory experiments. In addition, the effluent COD was stabilized below 40 mg·L−1 for 65 days at the pilot scale. Fe(IV) and 1O2 were confirmed to be the main active species in the degradation process through electron paramagnetic resonance (EPR) and quenching experiments. C=O, O-C=O, N sites and Fe0 were responsible for the generation of Fe(IV) and 1O2 in the FSC/Fe(VI)/H2O2 system. Furthermore, the cost per ton of water treated by the pilot-scale FSC/Fe(VI)/H2O2 system was calculated to be only 0.6209 USD/t, further confirming the application potential of the FSC/Fe(VI)/H2O2 system. This study promotes the engineering application of heterogeneous Fenton-like systems for water treatment. Full article
(This article belongs to the Section Green Sustainable Science and Technology)
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22 pages, 8682 KiB  
Article
Predicting EGFRL858R/T790M/C797S Inhibitory Effect of Osimertinib Derivatives by Mixed Kernel SVM Enhanced with CLPSO
by Shaokang Li, Wenzhe Dong and Aili Qu
Pharmaceuticals 2025, 18(8), 1092; https://doi.org/10.3390/ph18081092 - 23 Jul 2025
Viewed by 205
Abstract
Background/Objectives: The resistance mutations EGFRL858R/T790M/C797S in epidermal growth factor receptor (EGFR) are key factors in the reduced efficacy of Osimertinib. Predicting the inhibitory effects of Osimertinib derivatives against these mutations is crucial for the development of more effective inhibitors. This study aims [...] Read more.
Background/Objectives: The resistance mutations EGFRL858R/T790M/C797S in epidermal growth factor receptor (EGFR) are key factors in the reduced efficacy of Osimertinib. Predicting the inhibitory effects of Osimertinib derivatives against these mutations is crucial for the development of more effective inhibitors. This study aims to predict the inhibitory effects of Osimertinib derivatives against EGFRL858R/T790M/C797S mutations. Methods: Six models were established using heuristic method (HM), random forest (RF), gene expression programming (GEP), gradient boosting decision tree (GBDT), polynomial kernel function support vector machine (SVM), and mixed kernel function SVM (MIX-SVM). The descriptors for these models were selected by the heuristic method or XGBoost. Comprehensive learning particle swarm optimizer was adopted to optimize hyperparameters. Additionally, the internal and external validation were performed by leave-one-out cross-validation (QLOO2), 5-fold cross validation (Q5fold2) and concordance correlation coefficient (CCC), QF12, and QF22. The properties of novel EGFR inhibitors were explored through molecular docking analysis. Results: The model established by MIX-SVM whose kernel function is a convex combination of three regular kernel functions is best: R2 and RMSE for training set and test set are 0.9445, 0.1659 and 0.9490, 0.1814, respectively; QLOO2, Q5fold2, CCC, QF12, and QF22 are 0.9107, 0.8621, 0.9835, 0.9689, and 0.9680. Based on these results, the IC50 values of 162 newly designed compounds were predicted using the HM model, and the top four candidates with the most favorable physicochemical properties were subsequently validated through PEA. Conclusions: The MIX-SVM method will provide useful guidance for the design and screening of novel EGFRL858R/T790M/C797S inhibitors. Full article
(This article belongs to the Special Issue QSAR and Chemoinformatics in Drug Design and Discovery)
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20 pages, 7386 KiB  
Article
Exploring Synthesis Methods of CdS/TiO2 Photocatalysts for Enhanced Hydrogen Production Under Visible Light
by Jesús Herrera-Ramos, Socorro Oros-Ruíz, Angela G. Romero-Villegas, J. Edgar Carrera-Crespo, Raúl Pérez-Hernández, Jaime S. Valente and Francisco Tzompantzi
Catalysts 2025, 15(8), 699; https://doi.org/10.3390/catal15080699 - 22 Jul 2025
Viewed by 402
Abstract
TiO2 was synthesized via the sol–gel method and employed as a support material for the deposition of CdS nanofibers using two novel techniques: impregnation and photodeposition. XRD characterization shows that crystallite size decreases when CdS is incorporated into TiO2. UV-Vis [...] Read more.
TiO2 was synthesized via the sol–gel method and employed as a support material for the deposition of CdS nanofibers using two novel techniques: impregnation and photodeposition. XRD characterization shows that crystallite size decreases when CdS is incorporated into TiO2. UV-Vis spectroscopy showed that the bandgap of the CdS/TiO2 heterostructured nanocomposites decreases compared to the raw TiO2 support, making them very appropriate for photocatalytic applications in the visible region. The photocatalysts were tested for hydrogen production in methanol–water solutions under visible light conditions. It was observed that the TiC20 photocatalyst prepared by the impregnation method improved the photocatalytic activity compared with photodeposition technique (TiC20FD), achieving a maximum hydrogen production of 570.5 µmol H2 gcat1 h−1, while the latter attained 383.4 µmol H2 gcat1 h−1. Full article
(This article belongs to the Special Issue Advances in Photocatalytic Degradation)
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15 pages, 3416 KiB  
Article
The Study of Tribological Characteristics of YSZ/NiCrAlY Coatings and Their Resistance to CMAS at High Temperatures
by Dastan Buitkenov, Zhuldyz Sagdoldina, Aiym Nabioldina and Cezary Drenda
Appl. Sci. 2025, 15(14), 8109; https://doi.org/10.3390/app15148109 - 21 Jul 2025
Viewed by 272
Abstract
This paper presents the results of a comprehensive study of the structure, phase composition, thermal corrosion, and tribological properties of multilayer gradient coatings based on YSZ/NiCrAlY obtained using detonation spraying. X-ray phase analysis showed that the coatings consist entirely of metastable tetragonal zirconium [...] Read more.
This paper presents the results of a comprehensive study of the structure, phase composition, thermal corrosion, and tribological properties of multilayer gradient coatings based on YSZ/NiCrAlY obtained using detonation spraying. X-ray phase analysis showed that the coatings consist entirely of metastable tetragonal zirconium dioxide (t’-ZrO2) phase stabilized by high temperature and rapid cooling during spraying. SEM analysis confirmed the multilayer gradient phase distribution and high density of the structure. Wear resistance, optical profilometry, wear quantification, and coefficient of friction measurements were used to evaluate the operational stability. The results confirm that the structural parameters of the coating, such as porosity and phase gradient, play a key role in improving its resistance to thermal corrosion and CMAS melt, which makes such coatings promising for use in high-temperature applications. It is shown that a dense and thick coating effectively prevents the penetration of aggressive media, providing a high barrier effect and minimal structural damage. Tribological tests in the temperature range from 21 °C to 650 °C revealed that the best characteristics are observed at 550 °C: minimum coefficient of friction (0.63) and high stability in the stage of stable wear. At room temperature and at 650 °C, there is an increase in wear due to the absence or destabilization of the protective layer. Full article
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