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Search Results (1,297)

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Keywords = polar carbonate

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17 pages, 2437 KiB  
Article
Salvianolic Acid B Attenuates Liver Fibrosis via Suppression of Glycolysis-Dependent m1 Macrophage Polarization
by Hao Song, Ze-Wei Li, Wei Xu, Yang Tan, Ming Kuang, Gang Pei and Zhi-Qi Wang
Curr. Issues Mol. Biol. 2025, 47(8), 598; https://doi.org/10.3390/cimb47080598 (registering DOI) - 29 Jul 2025
Viewed by 341
Abstract
Liver fibrosis, a critical pathological feature of chronic liver injury, is closely associated with macrophage-mediated inflammatory responses and metabolic reprogramming. Blocking the fibrosis process will be beneficial to the treatment and recovery of the disease. Liver macrophages are a remarkably heterogeneous population of [...] Read more.
Liver fibrosis, a critical pathological feature of chronic liver injury, is closely associated with macrophage-mediated inflammatory responses and metabolic reprogramming. Blocking the fibrosis process will be beneficial to the treatment and recovery of the disease. Liver macrophages are a remarkably heterogeneous population of immune cells that play multiple functions in homeostasis and are central to liver fibrosis. Glycolysis-mediated macrophage metabolic reprogramming leads to an increase in the proportion of M1 macrophages and the release of pro-inflammatory cytokines. The present study aimed to investigate the therapeutic effect and mechanism of acid B (SAL B) against carbon tetrachloride (CCl4)-induced liver fibrosis. Here, we demonstrate that SAL B reduced the production of inflammatory factors in CCl4-induced liver fibrosis. Mechanistically, SAL B increased the expression of migration inhibitor 1 (MIG1) by inhibiting DNMT1-mediated methylation of the MIG1 promoter. Subsequently, MIG1 reduced the transcription of lactate dehydrogenase A (LDHA) and hexokinase 2 (HK2) which blocked glycolysis-mediated macrophage M1 polarization. In summary, our results suggested that SAL B is a promising intervention for ameliorating liver fibrosis. Full article
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25 pages, 9676 KiB  
Article
A Comparative Analysis of SAR and Optical Remote Sensing for Sparse Forest Structure Parameters: A Simulation Study
by Zhihui Mao, Lei Deng, Xinyi Liu and Yueyang Wang
Forests 2025, 16(8), 1244; https://doi.org/10.3390/f16081244 - 29 Jul 2025
Viewed by 199
Abstract
Forest structure parameters are critical for understanding and managing forest ecosystems, yet sparse forests have received limited attention in previous studies. To address this research gap, this study systematically evaluates and compares the sensitivity of active Synthetic Aperture Radar (SAR) and passive optical [...] Read more.
Forest structure parameters are critical for understanding and managing forest ecosystems, yet sparse forests have received limited attention in previous studies. To address this research gap, this study systematically evaluates and compares the sensitivity of active Synthetic Aperture Radar (SAR) and passive optical remote sensing to key forest structure parameters in sparse forests, including Diameter at Breast Height (DBH), Tree Height (H), Crown Width (CW), and Leaf Area Index (LAI). Using the novel computer-graphics-based radiosity model applicable to porous individual thin objects, named Radiosity Applicable to Porous Individual Objects (RAPID), we simulated 38 distinct sparse forest scenarios to generate both SAR backscatter coefficients and optical reflectance across various wavelengths, polarization modes, and incidence/observation angles. Sensitivity was assessed using the coefficient of variation (CV). The results reveal that C-band SAR in HH polarization mode demonstrates the highest sensitivity to DBH (CV = −6.73%), H (CV = −52.68%), and LAI (CV = −63.39%), while optical data in the red band show the strongest response to CW (CV = 18.83%) variations. The study further identifies optimal acquisition configurations, with SAR data achieving maximum sensitivity at smaller incidence angles and optical reflectance performing best at forward observation angles. This study addresses a critical gap by presenting the first systematic comparison of the sensitivity of multi-band SAR and VIS/NIR data to key forest structural parameters across sparsity gradients, thereby clarifying their applicability for monitoring young and middle-aged sparse forests with high carbon sequestration potential. Full article
(This article belongs to the Section Forest Inventory, Modeling and Remote Sensing)
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20 pages, 11218 KiB  
Article
Solvatochromic and Computational Study of Three Benzo-[f]-Quinolinium Methylids with Photoinduced Charge Transfer
by Mihaela Iuliana Avadanei, Ovidiu Gabriel Avadanei and Dana Ortansa Dorohoi
Molecules 2025, 30(15), 3162; https://doi.org/10.3390/molecules30153162 - 29 Jul 2025
Viewed by 135
Abstract
The solvatochromic properties of 48 solvents of three benzo-[f]-quinolinium methylids (BfQs) were analyzed within the theories of the variational model and Abe’s model of the liquid. The electro-optical properties of BfQs in the first excited state were determined based on the charge transfer [...] Read more.
The solvatochromic properties of 48 solvents of three benzo-[f]-quinolinium methylids (BfQs) were analyzed within the theories of the variational model and Abe’s model of the liquid. The electro-optical properties of BfQs in the first excited state were determined based on the charge transfer process that occurs from the ylid carbon to the nitrogen atom. The dipole moments and the polarizabilities in the first excited state were calculated according to the two models. The quantum chemical calculations helped in understanding the relationship between the molecular structure and absorption properties of the ground state. It is concluded that several key parameters modulate the strength of the charge transfer and they work in synergy, and the most important are as follows: (i) isomerism around the single polar bond, and (ii) the properties of the solvent. The link between geometrical conformation and the zwitterionic character make the studied BfQs very sensitive chromophores for sensors and optical switching devices. Full article
(This article belongs to the Special Issue Feature Papers in Applied Chemistry: 4th Edition)
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13 pages, 4956 KiB  
Article
The Influence of Crystal Anisotropy in Femtosecond Laser Processing of Single-Crystal Diamond
by Guolong Wang, Ji Wang, Kaijie Cheng, Kun Yang, Bojie Xu, Wenbo Wang and Wenwu Zhang
Nanomaterials 2025, 15(15), 1160; https://doi.org/10.3390/nano15151160 - 28 Jul 2025
Viewed by 261
Abstract
The single-crystal diamond (SCD), owing to its extreme physical and chemical properties, serves as an ideal substrate for quantum sensing and high-frequency devices. However, crystal anisotropy imposes significant challenges on fabricating high-quality micro-nano structures, directly impacting device performance. This work investigates the effects [...] Read more.
The single-crystal diamond (SCD), owing to its extreme physical and chemical properties, serves as an ideal substrate for quantum sensing and high-frequency devices. However, crystal anisotropy imposes significant challenges on fabricating high-quality micro-nano structures, directly impacting device performance. This work investigates the effects of femtosecond laser processing on the SCD under two distinct crystallographic orientations via single-pulse ablation. The results reveal that ablation craters along the <100> orientation exhibit an elliptical shape with the major axis parallel to the laser polarization, whereas those along the <110> orientation form near-circular craters with the major axis at a 45° angle to the polarization. The single-pulse ablation threshold of the SCD along <110> is 9.56 J/cm2, representing a 7.8% decrease compared to 10.32 J/cm2 for <100>. The graphitization threshold shows a more pronounced reduction, dropping from 4.79 J/cm2 to 3.31 J/cm2 (31% decrease), accompanied by enhanced sp2 carbon order evidenced by the significantly intensified G-band in the Raman spectra. In addition, a phase transition layer of amorphous carbon at the nanoscale in the surface layer (thickness of ~40 nm) and a narrow lattice spacing of 0.36 nm are observed under TEM, corresponding to the interlayer (002) plane of graphite. These observations are attributed to the orientation-dependent energy deposition efficiency. Based on these findings, an optimized crystallographic orientation selection strategy for femtosecond laser processing is proposed to improve the quality of functional micro-nano structures in the SCD. Full article
(This article belongs to the Special Issue Trends and Prospects in Laser Nanofabrication)
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22 pages, 4578 KiB  
Article
Isolation of Humic Substances Using Waste Wood Ash Extracts: Multiparametric Optimization via Box–Behnken Design and Chemical Characterization of Products
by Dominik Nieweś
Molecules 2025, 30(15), 3067; https://doi.org/10.3390/molecules30153067 - 22 Jul 2025
Viewed by 184
Abstract
This study evaluated birch and oak ash extracts as alternative extractants for isolating humic substances (HSs) from peat and lignite. The effects of ultrasound intensity, extraction time, and temperature were optimized using a Box–Behnken design and validated statistically. The highest HSs yields were [...] Read more.
This study evaluated birch and oak ash extracts as alternative extractants for isolating humic substances (HSs) from peat and lignite. The effects of ultrasound intensity, extraction time, and temperature were optimized using a Box–Behnken design and validated statistically. The highest HSs yields were obtained from peat with oak ash extract (pH 13.18), compared to birch ash extract (pH 12.09). Optimal process parameters varied by variant, falling within 309–391 mW∙cm−2, 116–142 min, and 67–79 °C. HSs extracted under optimal conditions were fractionated into humic acids (HAs) and fulvic acids (FAs), and then analyzed by elemental analysis, Fourier Transform Infrared Spectroscopy (FTIR), and Cross-Polarization Magic Angle Spinning Carbon-13 Nuclear Magnetic Resonance Spectroscopy (CP/MAS 13C NMR). The main differences in HSs quality were influenced by raw material and fraction type. However, the use of birch ash extract consistently resulted in a higher proportion of carboxylic structures across all fractions. Overall, wood ash extract, especially from oak, offers a sustainable and effective alternative to conventional extractants, particularly for HSs isolation from lignite. Notably, HSs yield from lignite with oak ash extract (29.13%) was only slightly lower than that achieved with 0.5 M NaOH (31.02%), highlighting its practical potential in environmentally friendly extraction technologies. Full article
(This article belongs to the Section Green Chemistry)
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14 pages, 3055 KiB  
Article
High-Performance Thin Film Composite Nanofiltration (NF) Membrane Constructed on Modified Polyvinylidene Fluoride (PVDF) Substrate
by Junliang Dong, Qianzhi Sun, Xiaolin Feng and Ruijun Zhang
Membranes 2025, 15(7), 216; https://doi.org/10.3390/membranes15070216 - 20 Jul 2025
Viewed by 339
Abstract
The inherent hydrophobic nature of PVDF material renders it challenging to establish a stable aqueous hydration layer, thereby limiting its suitability as a substrate for the preparation of nanofiltration (NF) membranes. In this study, we developed a novel modification approach that effectively enhances [...] Read more.
The inherent hydrophobic nature of PVDF material renders it challenging to establish a stable aqueous hydration layer, thereby limiting its suitability as a substrate for the preparation of nanofiltration (NF) membranes. In this study, we developed a novel modification approach that effectively enhances the hydrophilicity of PVDF substrates through the incorporation of sulfonic acid-doped polyaniline (SPANI) and hyperbranched polyester (HPE) into the PVDF casting solution, followed by cross-linking with trimesoyl chloride (TMC). The introduction of SPANI and HPE, which contain reactive polar amino and hydroxyl groups, improved the hydrophilicity of the substrate, while the subsequent cross-linking with TMC effectively anchored these components within the substrate through the covalent linking between TMC and the reactive sites. Additionally, the hydrolysis of TMC yielded non-reactive carboxyl groups, which further enhanced the hydrophilicity of the substrate. As a result, the modified PVDF substrate exhibited improved hydrophilicity, facilitating the construction of an intact polyamide layer. In addition, the fabricated TFC NF membrane demonstrated excellent performance in the advanced treatment of tap water, achieving a total dissolved solid removal rate of 57.9% and a total organic carbon removal rate of 85.3%. This work provides a facile and effective route to modify PVDF substrates for NF membrane fabrication. Full article
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28 pages, 4382 KiB  
Article
Chlorella vulgaris-Derived Biochars for Metribuzin Removal: Influence of Thermal Processing Pathways on Sorption Properties
by Margita Ščasná, Alexandra Kucmanová, Maroš Sirotiak, Lenka Blinová, Maroš Soldán, Jan Hajzler, Libor Ďuriška and Marián Palcut
Materials 2025, 18(14), 3374; https://doi.org/10.3390/ma18143374 - 18 Jul 2025
Viewed by 305
Abstract
Carbonaceous sorbents were prepared from Chlorella vulgaris via hydrothermal carbonization (200 °C and 250 °C) and slow pyrolysis (300–500 °C) to assess their effectiveness in removing the herbicide metribuzin from water. The biomass was cultivated under controlled laboratory conditions, allowing for consistent feedstock [...] Read more.
Carbonaceous sorbents were prepared from Chlorella vulgaris via hydrothermal carbonization (200 °C and 250 °C) and slow pyrolysis (300–500 °C) to assess their effectiveness in removing the herbicide metribuzin from water. The biomass was cultivated under controlled laboratory conditions, allowing for consistent feedstock quality and traceability throughout processing. Using a single microalgal feedstock for both thermal methods enabled a direct comparison of hydrochar and pyrochar properties and performance, eliminating variability associated with different feedstocks and allowing for a clearer assessment of the influence of thermal conversion pathways. While previous studies have examined algae-derived biochars for heavy metal adsorption, comprehensive comparisons targeting organic micropollutants, such as metribuzin, remain scarce. Moreover, few works have combined kinetic and isotherm modeling to evaluate the underlying adsorption mechanisms of both hydrochars and pyrochars produced from the same algal biomass. Therefore, the materials investigated in the present work were characterized using a combination of standard physicochemical and structural techniques (FTIR, SEM, BET, pH, ash content, and TOC). The kinetics of sorption were also studied. The results show better agreement with the pseudo-second-order model, consistent with chemisorption, except for the hydrochar produced at 250 °C, where physisorption provided a more accurate fit. Freundlich isotherms better described the equilibrium data, indicating heterogeneous adsorption. The hydrochar obtained at 200 °C reached the highest adsorption capacity, attributed to its intact cell structure and abundance of surface functional groups. The pyrochar produced at 500 °C exhibited the highest surface area (44.3 m2/g) but a lower affinity for metribuzin due to the loss of polar functionalities during pyrolysis. This study presents a novel use of Chlorella vulgaris-derived carbon materials for metribuzin removal without chemical activation, which offers practical benefits, including simplified production, lower costs, and reduced chemical waste. The findings contribute to expanding the applicability of algae-based sorbents in water treatments, particularly where low-cost, energy-efficient materials are needed. This approach also supports the integration of carbon sequestration and wastewater remediation within a circular resource framework. Full article
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19 pages, 1065 KiB  
Review
Recovery of Nutrients from the Aqueous Phase of Hydrothermal Liquefaction—A Review
by Barbara Camila Bogarin Cantero, Yalin Li, Prasanta Kalita, Yuanhui Zhang and Paul Davidson
Water 2025, 17(14), 2099; https://doi.org/10.3390/w17142099 - 14 Jul 2025
Viewed by 543
Abstract
Hydrothermal liquefaction (HTL) is a thermochemical conversion process that converts wet biomass into biocrude oil, a gas phase, a solid phase, and an aqueous phase (HTL-AP). An obstacle to the development and scaling of HTL is the volume of HTL-AP produced during the [...] Read more.
Hydrothermal liquefaction (HTL) is a thermochemical conversion process that converts wet biomass into biocrude oil, a gas phase, a solid phase, and an aqueous phase (HTL-AP). An obstacle to the development and scaling of HTL is the volume of HTL-AP produced during the process, which has high concentrations of nitrogen and carbon and cannot be disposed of in the environment without treatment. The HTL-AP is enriched with organic compounds, particularly light polar organics and nitrogenous compounds, which are inhibitory to microbial treatment in wastewater treatment plants. For this reason, the valorization of the HTL-AP is significant for the circular economy of HTL. This review synthesizes published findings on different types of treatment of the HTL-AP for the recovery of valuable nutrients and the removal of toxic compounds. This work outlines the trade-offs of the treatments to serve as a guide for future research to address these weaknesses and improve the valorization of the HTL-AP. Furthermore, this work uniquely focuses on HTL-AP treatment for recovering plant-available nitrogen, targeting its potential use as a fertilizer. The literature highlights the importance of increasing nitrogen bioavailability in HTL-AP through two-step treatments and by selecting HTL-AP derived from protein-rich feedstocks, which offer higher initial nitrogen content. According to the current state of research, further work is needed to optimize chemical and biological treatments for nutrient recovery from HTL-AP, particularly regarding treatment scale and duration. Additionally, economic analyses across different treatment types are currently lacking, but are essential to evaluate their feasibility and practicality. Full article
(This article belongs to the Special Issue Emerging Technologies for Nutrient Recovery and Wastewater Treatment)
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24 pages, 831 KiB  
Article
Spatiotemporal Evolution and Driving Factors of Coupling Coordination Among China’s Digital Economy, Carbon Emissions Efficiency, and High-Quality Economic Development
by Fusheng Li and Fuyi Ci
Sustainability 2025, 17(14), 6410; https://doi.org/10.3390/su17146410 - 13 Jul 2025
Viewed by 357
Abstract
Grounded in coupling theory, this study investigates the interplay among three key elements of economic growth, namely the digital economy, carbon emissions efficiency, and high-quality economic development. Drawing on data from 30 Chinese provinces from 2000 to 2023, we employ exploratory spatiotemporal data [...] Read more.
Grounded in coupling theory, this study investigates the interplay among three key elements of economic growth, namely the digital economy, carbon emissions efficiency, and high-quality economic development. Drawing on data from 30 Chinese provinces from 2000 to 2023, we employ exploratory spatiotemporal data analysis and the GeoDetector model to examine the spatial–temporal evolution and underlying driving forces of coupling coordination. This research enriches the theoretical framework of multi-system synergistic development in a green transition context and offers empirical insights and policy recommendations for fostering regional coordination and sustainable development. The results reveal that (1) both the digital economy and high-quality economic development show a steady upward trend, while carbon emissions efficiency has a “U-shaped” curve pattern; (2) at the national level, the degree of coupling coordination has evolved over time from “mild disorder” to “on the verge of disorder” to “barely coordinated,” while at the regional level, this pattern of coupling coordination shifts over time from “Eastern–Northeastern–Central–Western” to “Eastern–Central–Northeastern–Western”; (3) although spatial polarization in coupling coordination has improved, disparities fluctuate in a “decline–rise” pattern, with interregional differences being the main source of that variation; (4) the degree of coupling coordination has a positive spatial correlation, but with a declining trend with fluctuations; and (5) improvements in the level of economic development, human capital, industrial structure, green technological innovation, and market development capacity all contribute positively to coupling coordination. Among them, green technological innovation and market development capacity are the most influential drivers, and the interactions among all driving factors further enhance their collective impact. Full article
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15 pages, 2630 KiB  
Article
Mechanistic Insights into Full Solid-Waste Activators for Enhancing the Performance of Blast Furnace Slag–Fly Ash Cementitious Composites
by Huiying Zhang, Yongchun Li, Dingbang Wei, Xu Wu and Yapeng Wang
Materials 2025, 18(14), 3275; https://doi.org/10.3390/ma18143275 - 11 Jul 2025
Viewed by 332
Abstract
To address the practical limitations of conventional alkaline activators (e.g., handling hazards, cost) and promote the resource utilization of industrial solid wastes, this study developed a novel all-solid-waste activator system comprising soda residue (SR) and carbide slag (CS). The synergistic effects of SR-CS [...] Read more.
To address the practical limitations of conventional alkaline activators (e.g., handling hazards, cost) and promote the resource utilization of industrial solid wastes, this study developed a novel all-solid-waste activator system comprising soda residue (SR) and carbide slag (CS). The synergistic effects of SR-CS activators on the hydration behavior of blast furnace slag (GGBS)–fly ash (FA) cementitious composites were systematically investigated. Mechanical performance, phase evolution, and microstructural development were analyzed through compressive strength tests, XRD, FTIR, TG-DTG, and SEM-EDS. Results demonstrate that in the SR-CS activator system, which combines with desulfuriation gypsum as sulfate activator, increasing CS content elevates the normal consistency water demand due to the high-polarity, low-solubility Ca(OH)2 in CS. The SR-CS activator accelerates the early hydration process of cementitious materials, shortening the paste setting time while achieving compressive strengths of 17 MPa at 7 days and 32.4 MPa at 28 days, respectively. Higher fly ash content reduced strength owing to increased unreacted particles and prolonged setting. Conversely, desulfurization gypsum exhibited a sulfate activation effect, with compressive strength peaking at 34.2 MPa with 4 wt% gypsum. Chloride immobilization by C-S-H gel was confirmed, effectively mitigating environmental risks associated with SR. This work establishes a sustainable pathway for developing low-carbon cementitious materials using multi-source solid wastes. Full article
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21 pages, 4090 KiB  
Article
Linear Actuation of Dielectrophoretic Formed Multi-Walled Carbon Nanotube Fiber with Carbide-Derived Carbon in Polar Aprotic and Polar Protic Solvents
by Chau B. Tran, Quoc Bao Le and Rudolf Kiefer
Materials 2025, 18(14), 3254; https://doi.org/10.3390/ma18143254 - 10 Jul 2025
Viewed by 312
Abstract
Carbon nanotube (CNT) fiber research focuses on developing functional fabrics with dual or multifunctional capabilities. This study investigates CNT fibers fabricated via dielectrophoresis (DEP) with the incorporation of 10 wt.% carbide-derived carbon (CDC), referred to as CNTCDC fibers. The linear actuation behavior of [...] Read more.
Carbon nanotube (CNT) fiber research focuses on developing functional fabrics with dual or multifunctional capabilities. This study investigates CNT fibers fabricated via dielectrophoresis (DEP) with the incorporation of 10 wt.% carbide-derived carbon (CDC), referred to as CNTCDC fibers. The linear actuation behavior of the CNT and the CNTCDC fibers is compared using identical electrolyte concentrations in both a polar aprotic solvent (propylene carbonate, PC) and a polar protic solvent (aqueous solution, aq). Electromechanical deformation (EMD) is studied through cyclic voltammetry and chronoamperometry. The CNTCDC fiber outperformed the pristine CNT fiber, exhibiting primary expansion during discharge in PC (stress: 1.64 kPa, strain: 0.1%) and during charge in water (stress: 1.32 kPa, strain: 0.047%). By contrast, the pristine CNT fibers showed mixed actuation responses in both solvents, resulting in diminished net stress and strain. Chronopotentiometric measurements indicated that the CNTCDC fibers achieved their highest specific capacitance in aqueous media, reaching 223 ± 17 F g−1 at ±0.8 A g−1, with a capacity retention of 94.2% at ±32 A g−1. Fundamental characterization techniques, including scanning electron microcopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and Raman spectroscopy, are employed to analyze fiber morphology and composition. The dual functionality of CNTCDC fibers, as both actuators and energy storage elements, is demonstrated. Full article
(This article belongs to the Special Issue Electronic, Optical, and Structural Properties of Carbon Nanotubes)
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13 pages, 4310 KiB  
Technical Note
Framework for Mapping Sublimation Features on Mars’ South Polar Cap Using Object-Based Image Analysis
by Racine D. Cleveland, Vincent F. Chevrier and Jason A. Tullis
Remote Sens. 2025, 17(14), 2372; https://doi.org/10.3390/rs17142372 - 10 Jul 2025
Viewed by 911
Abstract
Mars’ south polar cap hosts dynamic landforms known as Swiss cheese features (SCFs), which form through the sublimation of carbon dioxide (CO2) ice driven by the planet’s extreme seasonal and diurnal solar insolation cycles. These shallow, rounded depressions—first identified by Mars [...] Read more.
Mars’ south polar cap hosts dynamic landforms known as Swiss cheese features (SCFs), which form through the sublimation of carbon dioxide (CO2) ice driven by the planet’s extreme seasonal and diurnal solar insolation cycles. These shallow, rounded depressions—first identified by Mars Global Surveyor in 1999 and later monitored by the Mars Reconnaissance Orbiter (MRO)—have been observed to increase in size over time. However, large-scale analysis of SCF formation and growth has been limited by the slow and labor-intensive nature of manual mapping techniques. This study applies object-based image analysis (OBIA) to automate the detection and measurement of SCFs using High-Resolution Imaging Science Experiment (HiRISE) images spanning five Martian years. Results show that SCFs exhibit a near-linear increase in area, suggesting that summer sublimation consistently outpaces winter CO2 deposition. Validation against manual digitization shows discrepancies of less than 1%, confirming the reliability of the OBIA method. Regression-based extrapolation of growth trends indicates that the current generation of SCFs likely began forming between Martian years 7 and 16, approximately corresponding to Earth years 1976 to 1998. These findings provide a quantitative assessment of SCF evolution and contribute to our understanding of recent climate-driven surface changes on Mars. HiRISE images were processed using the eCognition software to detect, classify, and measure SCFs, demonstrating that OBIA is a scalable and effective tool for analyzing dynamic planetary landforms. Full article
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27 pages, 4704 KiB  
Article
Chemical Composition and Corrosion—Contributions to a Sustainable Use of Geothermal Water
by Ioana Maior, Gabriela Elena Badea, Oana Delia Stănășel, Mioara Sebeșan, Anca Cojocaru, Anda Ioana Graţiela Petrehele, Petru Creț and Cristian Felix Blidar
Energies 2025, 18(14), 3634; https://doi.org/10.3390/en18143634 - 9 Jul 2025
Viewed by 327
Abstract
The utilization of geothermal resources as renewable energy is a subject of interest for the regions that possess these resources. The exploitation of geothermal energy must consider local geological conditions and an integrated approach, which should include practical studies on the chemistry of [...] Read more.
The utilization of geothermal resources as renewable energy is a subject of interest for the regions that possess these resources. The exploitation of geothermal energy must consider local geological conditions and an integrated approach, which should include practical studies on the chemistry of geothermal waters and their effect on thermal installations. Geothermal waters from Bihor County, Romania, have a variable composition, depending on the crossed geological layers, but also on pressure and temperature. Obviously, water transport and heat transfer are involved in all applications of geothermal waters. This article aims to characterize certain geothermal waters from the point of view of composition and corrosion if used as a thermal agent. Atomic absorption spectroscopy (AAS) and UV–Vis spectroscopy were employed to analyze water specimens. Chemical composition includes calcite (CaCO3), chalcedony (SiO2), goethite (FeO(OH)), and magnetite (Fe3O4), which confirms the corrosion and scale potential of these waters. Corrosion resistance of mild carbon steel, commonly used as pipe material, was studied by the gravimetric method and through electrochemical methodologies, including chronoamperometry, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization method, and open circuit potential measurement (OCP). Statistical analysis shows that the medium corrosion rate of S235 steel, expressed as penetration rate, is between 0.136 mm/year to 0.615 mm/year. The OCP, EIS, and chronoamperometry experiments explain corrosion resistance through the formation of a passive layer on the surface of the metal. This study proposes an innovative methodology and a systematic algorithm for analyzing chemical processes and corrosion phenomena in geothermal installations, emphasizing the necessity of individualized assessments for each aquifer to optimize operational parameters and ensure sustainable resource utilization. Full article
(This article belongs to the Special Issue The Status and Development Trend of Geothermal Resources)
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12 pages, 3441 KiB  
Article
Mechanical Strength and Hydration Characteristic of Multiple Common Waste-Blended Cement-Based Materials Cured by Electric-Induced Heating Curing Under Severely Cold Environments
by Lei Zhang, Ruisen Li, Sheng Li, Han Wang and Qiang Fu
Materials 2025, 18(14), 3220; https://doi.org/10.3390/ma18143220 - 8 Jul 2025
Viewed by 295
Abstract
To address the challenges of concrete construction in polar regions, this study investigates the feasibility of fabricating cement-based materials under severely low temperatures using electric-induced heating curing methods. Cement mortars incorporating fly ash (FA-CM), ground granulated blast furnace slag (GGBS-CM), and metakaolin (MK-CM) [...] Read more.
To address the challenges of concrete construction in polar regions, this study investigates the feasibility of fabricating cement-based materials under severely low temperatures using electric-induced heating curing methods. Cement mortars incorporating fly ash (FA-CM), ground granulated blast furnace slag (GGBS-CM), and metakaolin (MK-CM) were cured at environmental temperatures of −20 °C, −40 °C, and −60 °C. The optimal carbon fiber (CF) contents were determined using the initial electric resistivity to ensure a consistent electric-induced heating curing process. The thermal profiles during curing were monitored, and mechanical strength development was systematically evaluated. Hydration characteristics were elucidated through thermogravimetric analysis (TG), X-ray diffraction (XRD), and Fourier-transform infrared spectroscopy (FTIR) to identify phase compositions and reaction products. Results demonstrate that electric-induced heating effectively mitigates the adverse effect caused by the ultra-low temperature constraints, with distinct differences in the strength performance and hydration kinetics among supplementary cementitious materials. MK-CM exhibited superior early strength development with strength increasing rates above 10% compared to the Ref. specimen, which was attributed to the accelerated pozzolanic reactions. Microstructural analyses further verified the macroscopic strength test results that showed that electric-induced heating curing can effectively promote the performance development even under severely cold environments with a higher hydration degree and refined micro-pore structure. This work proposes a viable strategy for polar construction applications. Full article
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25 pages, 1312 KiB  
Article
The Role of Exchange Energy in Modeling Core-Electron Binding Energies of Strongly Polar Bonds
by Feng Wang and Delano P. Chong
Molecules 2025, 30(13), 2887; https://doi.org/10.3390/molecules30132887 - 7 Jul 2025
Viewed by 354
Abstract
Accurate determination of carbon core-electron binding energies (C1s CEBEs) is crucial for X-ray photoelectron spectroscopy (XPS) assignments and predictive computational modeling. This study evaluates density functional theory (DFT)-based methods for calculating C1s core-electron binding energies (CEBEs), comparing three functionals—PW86x-PW91c (DFTpw), mPW1PW, and PBE50—across [...] Read more.
Accurate determination of carbon core-electron binding energies (C1s CEBEs) is crucial for X-ray photoelectron spectroscopy (XPS) assignments and predictive computational modeling. This study evaluates density functional theory (DFT)-based methods for calculating C1s core-electron binding energies (CEBEs), comparing three functionals—PW86x-PW91c (DFTpw), mPW1PW, and PBE50—across 68 C1s cases in small hydrocarbons and halogenated molecules (alkyl halides), using the delta self-consistent field ΔSCF (or ΔDFT) method developed by one of the authors over the past decade. The PW86x-PW91c functional achieves a root mean square deviation (RMSD) of 0.1735 eV, with improved accuracy for polar C-X bonds (X=O, F) using mPW1PW and PBE50, reducing the average absolute deviation (AAD) to ~0.132 eV. The study emphasizes the role of Hartree–Fock (HF) exchange in refining CEBE predictions and highlights the synergy between theoretical and experimental approaches. These insights lay the groundwork for machine learning (ML)-driven spectral analysis, advancing materials characterization, and catalysis through more reliable automated XPS assignments. Full article
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