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24 pages, 7160 KB  
Article
Optimization of Antimicrobial Functionalization of Bacterial Cellulose Using Winery By-Products and Carboxymethyl Cellulose as Linker
by Maria Karpeli, Danai Ioanna Koukoumaki, Dimitris Sarris, Konstantinos Gkatzionis, Efstathios Giaouris, Kosmas Ellinas and Eleni Naziri
Sustainability 2026, 18(8), 4040; https://doi.org/10.3390/su18084040 (registering DOI) - 18 Apr 2026
Abstract
The growing need for sustainable strategies to reduce agro-industrial waste has stimulated interest in valorizing winery by-products as sources of high-value bioactive compounds. Wine lees, rich in phenolic compounds with well-documented antimicrobial activity, remain largely underutilized in the development of functional materials. In [...] Read more.
The growing need for sustainable strategies to reduce agro-industrial waste has stimulated interest in valorizing winery by-products as sources of high-value bioactive compounds. Wine lees, rich in phenolic compounds with well-documented antimicrobial activity, remain largely underutilized in the development of functional materials. In most cases, incorporation of bioactive agents relies on physical adsorption, which often results in weak adhesion and limited durability. In this study, phenolic extracts derived from wine lees and grape seed extract were incorporated into bacterial cellulose (BC) to develop bioactive materials with antimicrobial and antioxidant functionality. Two strategies were investigated: (i) direct immersion of BC in phenolic extracts and (ii) incorporation of extracts in BC membranes pre-modified with carboxymethyl cellulose (CMC) to enhance phenolic affinity and retention. The resulting materials were characterized for total phenolic content, antioxidant activity, and antimicrobial performance against bacterial strains (Escherichia coli, Salmonella Typhimurium, and Staphylococcus aureus). CMC-pretreated membranes significantly enhanced phenolic incorporation and antimicrobial performance, achieving a 99.9% reduction in E. coli after 24 h, while S. Typhimurium and S. aureus counts were below the detection limit (LOD < 1.0 log10 CFU/mL). These findings demonstrate the potential of wine lees as a sustainable source of bioactive compounds for the development of antimicrobial cellulose-based materials, supporting circular bioeconomy strategies and their potential application in food packaging. Full article
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32 pages, 1928 KB  
Article
Physiological and Proteomic Analysis of Sorghum Bicolor Seedling Leaves Reveals Molecular Responses to PEG-Induced Drought Stress
by Hongbing Li, Qilong Han, Zhao Yang, Meijing Cheng, Qingbo Ke, Sang-Soo Kwak, Xiping Deng and Suiqi Zhang
Plants 2026, 15(8), 1255; https://doi.org/10.3390/plants15081255 (registering DOI) - 18 Apr 2026
Abstract
Drought stress significantly constrains crop productivity and yield stability. Sorghum (Sorghum bicolor L. Moench), a C4 cereal widely cultivated in arid and semi-arid regions, exhibits high water-use efficiency and remarkable drought tolerance. Understanding both the impacts of drought and the plant’s response [...] Read more.
Drought stress significantly constrains crop productivity and yield stability. Sorghum (Sorghum bicolor L. Moench), a C4 cereal widely cultivated in arid and semi-arid regions, exhibits high water-use efficiency and remarkable drought tolerance. Understanding both the impacts of drought and the plant’s response mechanisms is essential for enhancing drought resilience in this crop. In this study, physiological changes and differential protein accumulation were analyzed in leaves of the sorghum inbred line BT × 623 under 10% PEG-6000-induced drought stress. The physiological adaptation to drought was characterized by improved water retention and mitigation of oxidative damage through the synergistic action of antioxidant enzymes. Using two-dimensional electrophoresis (2-DE) and MALDI-TOF-TOF mass spectrometry, 43 protein spots were successfully identified, corresponding to 38 unique proteins differentially expressed under osmotic stress. These proteins function in diverse biological processes, including protein synthesis, processing, and degradation; photosynthesis; carbohydrate and energy metabolism; transcriptional regulation; stress and defense; lipid and membrane metabolism; and amino acid metabolism. Proteomic profiling revealed that the coordinated modulation of multiple functional groups, such as those involved in photosynthesis, energy metabolism, transcriptional adjustment, ROS scavenging, and protein turnover, underpins sorghum’s osmotic stress adaptation. These findings provide key insights into the drought resistance mechanisms of sorghum at both physiological and proteomic levels. Full article
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30 pages, 1063 KB  
Article
GUM: Gum Understanding Mission—A Serious Game to Improve Periodontitis Literacy Among University Students
by Franklin Parrales-Bravo, Hugo Arias-Flores, Luis Caguana-Alvarez, Miguel Dávila-Medina, Carolina Parrales-Bravo and Leonel Vasquez-Cevallos
Dent. J. 2026, 14(4), 242; https://doi.org/10.3390/dj14040242 (registering DOI) - 18 Apr 2026
Abstract
Background/Objectives: Periodontitis represents a significant global health burden, yet preventive health literacy remains critically low among emerging adults—a developmental stage where lifelong health behaviors crystallize. This study evaluated the effectiveness of the GUM (an acronym of Gum Understanding Mission) game, an interactive gamified [...] Read more.
Background/Objectives: Periodontitis represents a significant global health burden, yet preventive health literacy remains critically low among emerging adults—a developmental stage where lifelong health behaviors crystallize. This study evaluated the effectiveness of the GUM (an acronym of Gum Understanding Mission) game, an interactive gamified digital tool incorporating AI-informed or manual feedback, for improving periodontitis literacy among tenth-semester Software Engineering students at the University of Guayaquil. Methods: In a controlled pre-test/post-test experiment, 50 participants were randomly assigned to either the GUM game intervention or a traditional lecture. Both groups completed identical knowledge assessments immediately before and after their respective 50-min instructional sessions. The GUM game featured adaptive questioning, immediate elaborated feedback, and comprehensive performance analytics, while the control group received instructor-led didactic instruction with a subsequent question-and-answer session. Results: The GUM group improved from a baseline of 21% to 94% correct responses, while the lecture group increased from 22% to 67% (p<0.001). Error reduction was 74% in the GUM group versus 45% in the control group. However, the study’s scope is currently limited to a single, digitally literate cohort, and knowledge retention over time was not assessed. Conclusions: These findings suggest that a self-directed, feedback-driven serious game can substantially outperform traditional methods in fostering periodontitis literacy within this population. Further research is needed across diverse populations with extended follow-up periods to assess knowledge retention and generalizability. Full article
(This article belongs to the Section Dental Education)
12 pages, 402 KB  
Article
Clinical Evaluation of Hydrophilic and Hydrophobic Resin-Based Sealants in Uncooperative Children: A 24-Month Randomized Controlled Trial
by Hussein A. Alharthy, Amani A. Al Tuwirqi, Alaa A. Nadhrin, Ala A. Aljubour, Layla N. Khogeer and Heba M. Elkhodary
Children 2026, 13(4), 565; https://doi.org/10.3390/children13040565 (registering DOI) - 18 Apr 2026
Abstract
Background/Objectives: Dental caries continues to represent a major oral health concern in children, particularly in uncooperative patients, where effective sealant placement is often compromised. This study evaluated the long-term clinical performance of hydrophilic (UltraSeal XT hydro) and hydrophobic (Helioseal-F) resin-based sealants in uncooperative [...] Read more.
Background/Objectives: Dental caries continues to represent a major oral health concern in children, particularly in uncooperative patients, where effective sealant placement is often compromised. This study evaluated the long-term clinical performance of hydrophilic (UltraSeal XT hydro) and hydrophobic (Helioseal-F) resin-based sealants in uncooperative children aged 6–9 years, assessing retention and caries incidence over 24 months. Methods: In a split-mouth, double-blinded randomized controlled trial, 34 children (104 first permanent molars) were enrolled, with 31 participants (98 teeth) completing the study. Sealants were randomly assigned to hydrophilic or hydrophobic group, with assessments at 3, 6, 12, 18, and 24 months. Results: Complete retention declined progressively in both groups, from 59.2% to 2.0% in the hydrophilic group and from 42.9% to 0% in the hydrophobic group at 24 months, with no significant intergroup differences (p = 0.719). Caries-free rates decreased from 81.6% to 49.0% in the hydrophilic group and from 75.5% to 40.8% in the hydrophobic group (p = 0.293). Children with definitely negative behavior showed significantly lower retention at 6 and 12 months (p = 0.006 and p < 0.001) compared to those with negative behavior, although differences were not significant at 24 months. Conclusions: Overall, both sealants demonstrated comparable retention and cariostatic performance, indicating that material properties alone do not determine long-term success. Further research should focus on long-term follow-up and comparative evaluation of hydrophilic sealants in cooperative and uncooperative populations to better understand how patient behavior affects sealant performance. Full article
(This article belongs to the Section Pediatric Dentistry & Oral Medicine)
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16 pages, 4123 KB  
Article
A Polymer Electrolyte with Rigid–Flexible Coupled Architecture for High-Voltage Lithium-Metal Batteries
by Haoru Xie, Zhengyin Yao, Zhen Liu, Ruiyong Chen and Peng Zhang
Polymers 2026, 18(8), 987; https://doi.org/10.3390/polym18080987 (registering DOI) - 18 Apr 2026
Abstract
A polymer electrolyte is developed by integrating a poly(methyl methacrylate) (PMMA)/eutectic electrolyte (EE) phase into a porous polyethylene (PE) scaffold via a solution-casting strategy. In this rigid–flexible coupled architecture, the PMMA matrix serves as a solid host that coordinates with Li+ through [...] Read more.
A polymer electrolyte is developed by integrating a poly(methyl methacrylate) (PMMA)/eutectic electrolyte (EE) phase into a porous polyethylene (PE) scaffold via a solution-casting strategy. In this rigid–flexible coupled architecture, the PMMA matrix serves as a solid host that coordinates with Li+ through its polar carbonyl groups, thereby promoting lithium salt dissociation and establishing a stable ion transport network. The incorporated EE, composed of ethylene carbonate and LiTFSI, effectively reduces the glassy rigidity of PMMA and provides continuous pathways for fast ionic conduction. Meanwhile, the porous PE scaffold reinforces mechanical strength and resists lithium dendrite penetration, enabling a thin electrolyte membrane with excellent flexibility. The resulting electrolyte achieves an ionic conductivity of 1.59 × 10−4 S cm−1 at 30 °C, a lithium-ion transference number of 0.45, and an electrochemical stability window up to 4.75 V. In Li||LiFePO4 cells, it delivers stable cycling at 3 C for 1000 cycles with 76.8% capacity retention and a Coulombic efficiency exceeding 99.9%. The monomer-free design eliminates residual reactive species that commonly compromise interfacial stability, offering a reliable pathway toward high-voltage solid-state lithium-metal batteries. Full article
20 pages, 3344 KB  
Article
Durability Prediction Model for Shear Behavior of GFRP Connectors in Precast Concrete Sandwich Panels
by Weichen Xue, Li Chen, Kai Fu, Qingchen Sun and Yanxin Zhang
Buildings 2026, 16(8), 1602; https://doi.org/10.3390/buildings16081602 (registering DOI) - 18 Apr 2026
Abstract
To achieve the same service life of glass fiber reinforced polymer (GFRP) connectors and precast concrete sandwich panels, ensuring the structural stability and safety of the walls during long-term service, it is necessary to research the durability of GFRP connectors. In accordance with [...] Read more.
To achieve the same service life of glass fiber reinforced polymer (GFRP) connectors and precast concrete sandwich panels, ensuring the structural stability and safety of the walls during long-term service, it is necessary to research the durability of GFRP connectors. In accordance with the ACI 440.3R-12 test method, an accelerated aging study was conducted by immersing 90 GFRP connectors in a simulated concrete pore solution at temperatures of 40 °C, 60 °C, and 80 °C for durations of 3.65, 18, 36.5, 92, and 183 days. This investigation aimed to analyze the effects of temperature and exposure time on the shear strength of the GFRP connectors. Scanning Electron Microscopy (SEM) was employed to analyze the micro-morphology of the specimens before and after exposure. The SEM observations revealed that after 183 days at 40 °C, the fiber-matrix interface remained relatively intact without significant debonding. However, at 60 °C, noticeable degradation occurred, characterized by corrosion of fibers and evident debonding from the surrounding matrix. At 80 °C, the GFRP specimens were severely damaged, precluding the extraction of viable samples for SEM analysis. The results further indicated that the most rapid decline in the shear strength occurred within the initial 3.65 days of exposure, with reductions of 8.62%, 10.12%, and 10.77% at 40 °C, 60 °C, and 80 °C, respectively. The degradation rate subsequently decelerated with prolonged exposure. After 183 days, the residual shear strength retention rates decreased by 21.03% and 26.89% at 40 °C and 60 °C, respectively. This behavior is primarily attributed to a high moisture absorption rate driven by a significant humidity gradient between the surface and the interior, leading to rapid swelling and plasticization of the vinyl ester resin matrix, which consequently reduced the stiffness and strength of the GFRP connectors. Finally, a predictive model for the time-dependent shear strength of GFRP connectors under various temperature conditions was developed based on Fick’s law. Full article
(This article belongs to the Section Building Structures)
32 pages, 19848 KB  
Article
Impacts of Land-Use Change on the Spatiotemporal Dynamics and Driving Mechanisms of Ecosystem Services in Arid and Semi-Arid Regions: A Case Study of Gansu Province, China
by Zhuanghui Duan, Xiyun Wang, Xianglong Tang, Chenyu Lu and Shuangqing Sheng
Land 2026, 15(4), 668; https://doi.org/10.3390/land15040668 (registering DOI) - 18 Apr 2026
Abstract
The spatiotemporal evolution of ecosystem services and the elucidation of their driving mechanisms constitute a central scientific issue in territorial spatial optimization and regional sustainable development. Taking Gansu Province, a core area of the ecological security barrier in northwestern China, as the study [...] Read more.
The spatiotemporal evolution of ecosystem services and the elucidation of their driving mechanisms constitute a central scientific issue in territorial spatial optimization and regional sustainable development. Taking Gansu Province, a core area of the ecological security barrier in northwestern China, as the study area, this study integrates land-use, natural geographic, and socioeconomic data from 2000 to 2020. Using a land-use transfer matrix, the InVEST model, the Geographical Detector, and the PLUS model, we constructed a comprehensive analytical framework that combines historical evolution analysis, spatial differentiation identification, and multi-scenario simulation and prediction. The framework was used to systematically reveal the spatiotemporal dynamics of four core ecosystem services, namely carbon storage (CS), water yield (WY), habitat quality (HQ), and soil retention service (SDR), and to analyze their natural and socioeconomic driving mechanisms, while also simulating land-use change and ecosystem-service responses under the natural development, ecological protection, and urban expansion scenarios in 2030. The results show that, from 2000 to 2020, land use in Gansu Province was dominated by grassland (average proportion: 33.34%) and unused land (average proportion: 41.35%). Urban land expanded from 660.52 km2 to 2227.36 km2, with its share increasing from 0.15% to 0.50%, mainly through the conversion of cropland and grassland. Ecosystem services exhibited marked spatial differentiation: CS increased from east to west; WY showed an increasing pattern from northwest to southeast; HQ was lower in the central and southeastern regions and higher in the western and southern regions; and SDR was dominated by low-value areas in the northwest (average proportion: 84.81%). Driving-mechanism analysis indicated that slope was the core natural factor affecting CS, HQ, and SDR (q = 0.18–0.45), while mean annual precipitation dominated the variation in WY (q = 0.31–0.35). The influence of socioeconomic factors such as GDP increased gradually over time, showing an evolutionary trend from natural dominance to coordinated natural–socioeconomic regulation. Multi-scenario simulation further showed that, under the ecological protection scenario, grassland area increased significantly (+0.60%), the proportions of medium-value CS zones and high-value WY zones increased, and ecosystem services were optimized overall; under the urban expansion scenario, cropland and urban land expanded (+0.87% and +0.23%, respectively), imposing potential pressure on part of the ecosystem-service functions. These findings provide a scientific basis for optimizing territorial spatial planning, strengthening the ecological security barrier, and promoting regional sustainable development in Gansu Province. The methodological framework also offers a broadly applicable reference for ecologically sensitive arid and semi-arid regions in northwestern China. Full article
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17 pages, 14853 KB  
Article
PLGA Nanoparticle-Mediated Sustained Release of Fisetin for Intra-Articular Therapy of Temporomandibular Joint Osteoarthritis
by Ming Zhang, Jun-Ichiro Jo, Yoshiya Hashimoto, Yoshitomo Honda and Aki Nishiura
Int. J. Mol. Sci. 2026, 27(8), 3618; https://doi.org/10.3390/ijms27083618 (registering DOI) - 18 Apr 2026
Abstract
Temporomandibular joint osteoarthritis (TMJOA) is a degenerative maxillofacial disorder marked by progressive cartilage degradation and subchondral bone resorption, severely compromising patients’ quality of life. Intra-articular injection (IA), a standard route for conservative therapy, offers clinical advantages in safety and efficacy; however, outcomes remain [...] Read more.
Temporomandibular joint osteoarthritis (TMJOA) is a degenerative maxillofacial disorder marked by progressive cartilage degradation and subchondral bone resorption, severely compromising patients’ quality of life. Intra-articular injection (IA), a standard route for conservative therapy, offers clinical advantages in safety and efficacy; however, outcomes remain limited due to short drug retention, poor tissue penetration, and variable agent efficacy, necessitating repeated administration. To overcome these limitations, fisetin-loaded poly (lactic-co-glycolic acid) nanoparticles (FST-PNP) were developed as a localized drug delivery system (DDS) for TMJOA treatment. Physicochemical analyses showed FST-PNP had uniform spherical morphology, excellent dispersibility, stability, high encapsulation efficiency, and substantial drug loading capacity. An in vitro study demonstrated more sustained and stable release from FST-PNP than free fisetin. The in vivo IA administration of FST-PNP preserved mandibular condylar osteochondral structures in TMJOA models. Notably, FST-PNP suppressed the expression of metalloproteinase-13 and a disintegrin and metalloproteinase with thrombospondin motifs-5 (ADAMTS5) as catabolic enzymes and downregulated p16 and p21 as senescence markers, indicating synergistic anti-inflammatory and anti-senescent effects. These findings highlight FST-PNP as a DDS integrating controlled-release with multifaceted therapeutic actions, providing a promising strategy for IA therapy of TMJOA. Full article
(This article belongs to the Special Issue Application of Biomaterials in Human Diseases)
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37 pages, 1908 KB  
Review
Molecular and Genetic Determinants of Nephrocalcinosis: Mechanisms, Genotype–Phenotype Correlations, and Precision Medicine
by Setalia Popa, Andrei Cristian Grădinaru, Elena Emanuela Braha, Mihaela Grămescu, Ramona Babici, Cristina Ailenei and Lăcrămioara Ionela Butnariu
Int. J. Mol. Sci. 2026, 27(8), 3616; https://doi.org/10.3390/ijms27083616 (registering DOI) - 18 Apr 2026
Abstract
Nephrocalcinosis, defined as the deposition of calcium salts within the renal parenchyma, represents a radiologic and pathologic endpoint shared by a broad spectrum of metabolic and monogenic disorders. Advances in genomic medicine have identified more than 30 genes involved in tubular transport, mineral [...] Read more.
Nephrocalcinosis, defined as the deposition of calcium salts within the renal parenchyma, represents a radiologic and pathologic endpoint shared by a broad spectrum of metabolic and monogenic disorders. Advances in genomic medicine have identified more than 30 genes involved in tubular transport, mineral and acid–base homeostasis, oxalate metabolism, mitochondrial function, ciliary signaling, and nephron development, reframing nephrocalcinosis as a heterogeneous manifestation of discrete molecular defects rather than a single disease entity. Despite this diversity, these conditions converge on common physicochemical pathways of tubular supersaturation, crystal nucleation, growth, and intrarenal retention. These processes are amplified by the intrinsic vulnerability of the renal medulla—characterized by hyperosmolality, hypoxia, and slow tubular flow—and by epithelial injury, loss of crystallization inhibitors, and impaired ciliary signaling. Distinct genotype–phenotype signatures, including age at onset, biochemical profiles, and extrarenal manifestations, provide important diagnostic clues and help differentiate major monogenic entities. The increasing availability of targeted gene panels, whole-exome sequencing, and whole-genome sequencing has substantially improved diagnostic yield, particularly in pediatric populations. Molecular diagnosis now directly informs therapeutic decision-making and long-term management, enabling a shift toward precision nephrology. This narrative review integrates genetic, mechanistic, and clinical perspectives to illustrate how molecular diagnosis reshapes the evaluation, prognosis, and treatment of nephrocalcinosis. Full article
(This article belongs to the Special Issue Molecular Insights and Novel Therapeutics in Chronic Kidney Disease)
34 pages, 7013 KB  
Article
Removal Performance and Mechanistic Insights into As(V) Transport in Natural Manganese Minerals
by Zhicheng Zhao, Huimei Shan, Song Wei, Zheying Li and Qingsheng Li
Toxics 2026, 14(4), 340; https://doi.org/10.3390/toxics14040340 - 17 Apr 2026
Abstract
Arsenic contamination in polymetallic mining areas is closely linked to surrounding iron-rich manganese minerals. However, conclusive evidence remains limited regarding the retention and migration process of As(V) in naturally manganese-rich manganese ores (especially those with different manganese/iron mass ratios) under dynamic flow conditions. [...] Read more.
Arsenic contamination in polymetallic mining areas is closely linked to surrounding iron-rich manganese minerals. However, conclusive evidence remains limited regarding the retention and migration process of As(V) in naturally manganese-rich manganese ores (especially those with different manganese/iron mass ratios) under dynamic flow conditions. This study investigated As(V) adsorption and transport by four natural manganese minerals (FM1–FM4) through batch/column experiments, characterization, and numerical modeling. Their Mn/Fe mass ratios were 22.7 for FM1, 4.2 for FM2, 3.7 for FM3, and 16.4 for FM4. Batch experiments showed that As(V) adsorption on FM1–FM3 was better described by the Freundlich model, indicating heterogeneous adsorption behavior. Under the tested experimental conditions, the apparent Langmuir qₘ values of these minerals decreased from 0.066 to 0.015 mmol·g−1 with decreasing Mn/Fe ratio. However, As(V) adsorption on FM4, which had the lowest Mn and Fe contents, followed the Langmuir model (qₘ = 0.012 mmol·g−1), suggesting monolayer adsorption. Column experiments demonstrated rapid As(V) retention for all minerals. In the time domain, increasing the flow rate from 0.5 to 2.0 mL·min−1 generally advanced breakthrough and shortened the desorption tail, although the breakthrough behavior expressed in pore-volume coordinates was not strictly monotonic for all minerals. The Two-Site Kinetic Attachment Model (TSKAM) successfully simulated these dynamics (R2 > 0.90, RMSE < 0.05), revealing adsorption controlled by fast and slow kinetic sites, with slow-site contributions diminishing at higher flow rates. Characterization results indicated that adsorbed arsenic on FM1 remained mainly as As(V) and was immobilized primarily through surface complexation involving surface hydroxyl and Fe/Mn–O groups. XRD and SEM-EDS suggested the participation of Fe/Mn-bearing phases, while XPS on FM1 showed pronounced changes in Mn surface species during adsorption. Therefore, As(V) removal by these natural manganese minerals is a coupled physicochemical process influenced by both mineral properties, including Mn/Fe ratio, specific surface area, pore structure, pHPZC, and Mn surface-state changes, and hydrodynamic conditions in the polymetallic mining areas. Full article
(This article belongs to the Section Toxicity Reduction and Environmental Remediation)
19 pages, 1827 KB  
Article
Characteristics and Genetic Mechanisms of Diagenetic Anomalies in Upper Paleozoic Coal-Bearing Strata of the Longdong Area, Ordos Basin
by Wei Yu, Li Gong, Jiao Wang, Feng Wang, Jingchun Tian and Jie Chen
Geosciences 2026, 16(4), 162; https://doi.org/10.3390/geosciences16040162 - 17 Apr 2026
Abstract
Diagenetic anomalies within the Upper Paleozoic coal-bearing strata of the Longdong area, Ordos Basin, represent a complex interplay between thermal maturation and fluid evolution, yet their governing mechanisms remain poorly understood. This study integrates petrographic analysis, X-ray diffraction, vitrinite reflectance (Ro) measurements, and [...] Read more.
Diagenetic anomalies within the Upper Paleozoic coal-bearing strata of the Longdong area, Ordos Basin, represent a complex interplay between thermal maturation and fluid evolution, yet their governing mechanisms remain poorly understood. This study integrates petrographic analysis, X-ray diffraction, vitrinite reflectance (Ro) measurements, and fluid inclusion microthermometry to evaluate the discrepancy between organic thermal maturity and mineralogical diagenetic records. The results indicate that the mudstones achieved high thermal maturity, with mean Ro and Tmax values of 2.3% and 555.1 °C, respectively. However, the associated sandstones exhibit anomalous mineral assemblages, characterized by persistent high levels of illite/smectite (I/S) mixed-layer minerals and authigenic kaolinite, which are inconsistent with the anticipated advanced diagenetic stage. Furthermore, homogenization temperatures (Th) of fluid inclusions are significantly lower than expected, implying a localized suppression of illitization. We propose that this atypical diagenetic trajectory is governed by sluggish fluid–rock interactions in a confined diagenetic environment. Specifically, the dissolution of feldspars during acidic diagenesis provided a localized Al3+ supply, favoring kaolinite precipitation, while the limited availability of reactive feldspar precursors and pore-fluid retention effectively stalled the progression of illitization. These findings demonstrate that reactant availability and reaction kinetics can decouple mineralogical evolution from organic thermal maturation in coal-bearing sequences. This study provides a novel mechanistic framework for interpreting anomalous diagenetic signatures in heterogeneous sedimentary basins, offering significant implications for reservoir quality prediction in deep-seated, thermally mature strata. Full article
(This article belongs to the Section Sedimentology, Stratigraphy and Palaeontology)
28 pages, 3701 KB  
Article
Uncertainty of Temporal and Spatial δ2H Interpolation on Young Water Fraction Estimates Using the StorAge Selection Function in Subtropical Mountain Catchments
by Jui-Ping Chen, Yi-Chin Chen, Jun-Yi Lee, Li-Chi Chiang, Fi-John Chang and Jr-Chuan Huang
Water 2026, 18(8), 958; https://doi.org/10.3390/w18080958 - 17 Apr 2026
Abstract
Water age reflects water sources, storage, and pathways, and regulates the solute retention and dissolution associated with biogeochemical processes, highlighting its hydrological and ecological importance. However, accurate water age estimation in tracer-aided models depends heavily on the quality and spatio-temporal resolution of precipitation [...] Read more.
Water age reflects water sources, storage, and pathways, and regulates the solute retention and dissolution associated with biogeochemical processes, highlighting its hydrological and ecological importance. However, accurate water age estimation in tracer-aided models depends heavily on the quality and spatio-temporal resolution of precipitation isotopic signals. This study investigates how distributed rainfall δ2H signals affect the simulation of young water fraction (Fyw) via the Storage Age Selection (SAS) model in topographically complex subtropical mountain catchments. Eight precipitation δ2H scenarios were generated using two temporal approaches (stepwise and sinewave) and four spatial interpolation methods: (1) raw data, (2) reversed effective recharge elevation method (rERE), (3) linear regression with elevation (ER), and (4) regression-kriging (RK). Later on, the time-variant SAS model was calibrated against observed stream water δ2H collected from the year 2022 to the year 2024. Results show that the SAS model consistently produced similar Fyw estimates for catchments (8%~40%) across all eight scenarios, demonstrating strong robustness to input uncertainty and validating the dominant role of catchment characteristics in regulating water age. The combined stepwise temporal and rERE spatial approach provided better agreement with observed stream δ2H, particularly in the eastern, steeper catchments, yielding superior model efficiency along with better constrained uncertainty. This study highlights the sensitivity of age-tracking models to precipitation isotopic inputs and provides practical guidance for selecting an interpolation strategy in data-limited mountainous environments. Full article
(This article belongs to the Section Hydrology)
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27 pages, 1895 KB  
Article
QbD-Optimized RP-HPLC Method Development for Simultaneous Quantification of Pregabalin and Duloxetine Hydrochloride
by Indu Passi, Ram Kumar, Sushant Salwan, Pooja A. Chawla, Nisha Bansal and Bhupinder Kumar
Biophysica 2026, 6(2), 34; https://doi.org/10.3390/biophysica6020034 - 17 Apr 2026
Abstract
Quality by design (QbD) is a systematic approach focused on achieving consistent, predictable quality based on predefined objectives. Unlike traditional methods, QbD prioritizes risk assessment and management, which significantly enhances the robustness of the analytical method. In this study, we initiated factor screening [...] Read more.
Quality by design (QbD) is a systematic approach focused on achieving consistent, predictable quality based on predefined objectives. Unlike traditional methods, QbD prioritizes risk assessment and management, which significantly enhances the robustness of the analytical method. In this study, we initiated factor screening using a three-factor, two-level design to evaluate three independent variables: flow rate, pH, and mobile phase composition. To further investigate the interaction of these variables, we employed Central Composite Design (CCD). This allows us to apply response surface methodology to the Critical Analytical Attributes (CAAs), specifically retention time, peak area, and symmetry factor, by conforming to the method’s robustness. The combination of pregabalin and duloxetine hydrochloride (HCl) dosage form was determined using a straightforward, exact, specific, and accurate reverse-phase HPLC approach. The results showed retention times of 3.265 min and 4.318 min for duloxetine HCl and pregabalin, respectively. Pregabalin demonstrated linearity from 100 to 200 μg/mL (R2 = 0.998), whilst duloxetine HCl demonstrated linearity between 20 and 120 μg/mL (R2 = 0.997). Lower LOD values of 0.925 µg/mL and 0.853 μg/mL and LOQ values of 2.809 μg/mL and 2.587 μg/mL of pregabalin and duloxetine HCl, respectively, suggest good sensitivity for the technique. The drug content of the commercial formulation may thus be determined using the recommended method. This technique can be used for standard quality control studies to simultaneously estimate pregabalin and duloxetine HCl. The novelty of the present studies lies in the development of a robust RP-HPLC method for simultaneous estimation of pregabalin and duloxetine HCl using a systematic AQbD approach, enhancing robustness, reproducibility, and reliability, making it highly suitable for routine quality control and regulatory applications. Full article
16 pages, 5208 KB  
Article
Deep Learning-Based and Python-Driven Construction and Application of a Mass Spectrometry Data Analysis Workflow: Taking Glucosinolates as an Example
by Shangshen Yang, Siyu Jia, Peiyu Jia, Wenyu Xie and Xiaoming Wang
Metabolites 2026, 16(4), 274; https://doi.org/10.3390/metabo16040274 - 17 Apr 2026
Abstract
Background: Radish seeds are our model on glucosinolates (GSLs), which is a class of secondary metabolites in medicinal plants of the Brassicaceae family. Multilayer perceptron (MLP) network is highly effective in the study of complex plants. This study came up with a smart [...] Read more.
Background: Radish seeds are our model on glucosinolates (GSLs), which is a class of secondary metabolites in medicinal plants of the Brassicaceae family. Multilayer perceptron (MLP) network is highly effective in the study of complex plants. This study came up with a smart plan through the Python language. Methods: First, we used the MLP network to pick out GSL precursor ions, running them through a deep learning filter. Next, we set up an automated screening system and looked at how standard chemicals break down. To speed things up, we created a scoring system that flagged promising compounds. After that, we built a tracer molecular network, basically connecting compounds according to how the plant makes them, which helped us label everything accurately. Finally, we brought in a math-based tool that pieces together different chemical parts to predict new GSL structures. Results: With this workflow, we annotated 195 glucosinolate-related compounds in radish seeds. That includes 86 regular GSLs, 34 malonyl products, 40 sinapoyl compounds, and 35 diglycosides. Among them, eight compounds were confirmed by comparison with authentic standards (retention time and MS/MS data), whereas the remaining compounds were tentatively annotated based on accurate mass measurements, diagnostic fragment ions, Tracer Molecular Nnetworking, and literature/database matching. In addition, 36 compounds were considered putatively novel derivatives pending further structural confirmation. Conclusions: This new approach reduces the time spent on determining chemicals in complicated samples. This can be done with other vegetables and medicinal herbs by researchers. It assists us in knowing the chemistry of plants in a deeper manner. Full article
(This article belongs to the Special Issue LC-MS/MS Analysis for Plant Secondary Metabolites, 2nd Edition)
20 pages, 1524 KB  
Article
Early Detection and Long-Term Monitoring as a Strategy for African Swine Fever Outbreak Control and A Comparative Study on the Reproductive Performance of Convalescent and Naïve Sows in a Commercial Farm in Thailand
by Thanut Wathirunwong, Jatesada Jiwakanon, Klaus Depner and Sarthorn Porntrakulpipat
Animals 2026, 16(8), 1235; https://doi.org/10.3390/ani16081235 - 17 Apr 2026
Abstract
African swine fever (ASF), caused by African swine fever virus (ASFV), is a highly destructive transboundary disease in domestic pigs. The circulating virus in this study belonged to ASFV genotype II, commonly associated with high virulence. In endemic regions such as Thailand, limited [...] Read more.
African swine fever (ASF), caused by African swine fever virus (ASFV), is a highly destructive transboundary disease in domestic pigs. The circulating virus in this study belonged to ASFV genotype II, commonly associated with high virulence. In endemic regions such as Thailand, limited vaccine availability and shortages of naïve breeding stock necessitate reliance on early detection, surveillance, and the retention of convalescent sows, thereby raising concerns regarding viral persistence and reproductive performance. This study evaluated the long-term reproductive performance of convalescent sows compared with naïve cohorts under co-habitation conditions, while assessing the efficacy of passive surveillance and strict biosecurity in preventing viral transmission from both internal and external sources. Convalescent sows showed reproductive performance comparable to naïve cohorts across two parities. Long-term co-habitation with naïve sentinel pigs was not associated with detectable viral transmission, although low-level viral persistence or intermittent shedding cannot be excluded. From a disease control perspective, the transition from delayed detection to enhanced passive surveillance facilitated early clinical recognition and targeted removal (“tooth extraction”) of infected animals, effectively limiting intra-herd transmission without full depopulation. Importantly, irrespective of the uncertain carrier status, strict biosecurity and rapid response protocols appeared effective in mitigating both external introduction and within-farm transmission of ASFV. These findings suggest that, under appropriate management and biosecurity conditions, convalescent sows may be reintegrated into production systems with caution. Full article
(This article belongs to the Section Pigs)
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