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25 pages, 2910 KB  
Review
Effects of Aging on Determinants of Endurance Performance in Women Masters Athletes: A Scoping Review
by Danica Vangsgaard, Misa Noumi, K. Alix Hayden and Patricia K. Doyle-Baker
Healthcare 2026, 14(8), 1080; https://doi.org/10.3390/healthcare14081080 (registering DOI) - 17 Apr 2026
Abstract
Background/Objectives: Masters athletes are adults aged ≥40 who compete in sport, exhibiting superior physical function and healthier aging than their sedentary peers. However, even highly trained masters athletes experience age-related performance declines. Women masters athletes represent a growing yet understudied population who may [...] Read more.
Background/Objectives: Masters athletes are adults aged ≥40 who compete in sport, exhibiting superior physical function and healthier aging than their sedentary peers. However, even highly trained masters athletes experience age-related performance declines. Women masters athletes represent a growing yet understudied population who may face unique physiological challenges. This scoping review synthesizes literature from 1984 to 2024, examining the impact of age and menopause on determinants of endurance performance in women masters athletes. Methods: Following JBI scoping review methodology, six databases were searched (Medline, Embase, Central, CINAHL, SPORTdiscus, Scopus). Studies were evaluated for population characteristics, methodological approaches, and physiological determinants of performance (i.e., aerobic capacity, lactate kinetics, and exercise economy). Results: Twenty-nine studies were included. Most (n = 28) assessed aerobic capacity, reporting declines between 0.36 and 0.84 mL·kg−1·min−1·year−1 (0.5–2.4%·year−1). These reductions were primarily associated with decreased cardiac output followed by changes in body composition. Training volume emerged as a predictor of aerobic capacity, but the effects of menopause were unclear. Findings on lactate kinetics and exercise economy were mixed but preliminary research indicated that lactate threshold relative to VO2max generally increased, peak lactate remained stable and energy cost increased with age. Fitness and health characteristics among women athletes differed from sedentary populations, emphasizing the need for athlete-specific data to support training and health decisions. Conclusions: Aging is associated with decreased aerobic capacity and variable changes in lactate kinetics and exercise economy. While training volume may attenuate performance decrements, the impact of menopause remains uncertain, underscoring the need for longitudinal research to better support this growing segment of the population. Full article
(This article belongs to the Special Issue Benefits of Exercise on Reproductive Health)
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14 pages, 1428 KB  
Article
Biomechanical Phenotyping of Forced Expiration for Precision Pulmonary Rehabilitation: A Machine Learning Approach to Identify Structural and Kinetic Drivers
by Noppharath Sangkarit and Weerasak Tapanya
Adv. Respir. Med. 2026, 94(2), 26; https://doi.org/10.3390/arm94020026 - 17 Apr 2026
Abstract
Background: Standard spirometry fundamentally overlooks the mechanical dynamics of forced expiration. This study derived novel biomechanical parameters to establish functional phenotypes and predict clinical respiratory impairments. Methods: Utilizing 16,596 acceptable spirometry records from NHANES (2007 to 2012), parameters reflecting kinetic power, mass constraint, [...] Read more.
Background: Standard spirometry fundamentally overlooks the mechanical dynamics of forced expiration. This study derived novel biomechanical parameters to establish functional phenotypes and predict clinical respiratory impairments. Methods: Utilizing 16,596 acceptable spirometry records from NHANES (2007 to 2012), parameters reflecting kinetic power, mass constraint, and airway instability were mathematically derived. Principal component analysis, K-means clustering, and a Multilayer Perceptron neural network were sequentially applied. Results: Three distinct biomechanical phenotypes emerged: Load-Constrained (45.4%), Mechanically Efficient (23.5%), and Dynamic Collapse (31.0%). Aging significantly degraded kinetic power, demonstrating a steeper functional decline in males (p < 0.001). The neural network achieved 93.2% testing accuracy in classifying spirometric abnormalities. Crucially, Dynamic Airway Collapse Ratio (100% normalized importance), BMI (89.4%), and kinetic power (86.2%) fundamentally outperformed traditional demographic predictors such as chronological age (20.4%) and biological sex (7.1%). Conclusions: Structural and dynamic kinetic factors drive pulmonary dysfunction far more accurately than conventional demographics. Classifying these mechanical phenotypes facilitates highly targeted precision cardiopulmonary rehabilitation. Full article
(This article belongs to the Special Issue Pulmonary Rehabilitation: Interventions, Protocols, and Outcomes)
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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)
20 pages, 1568 KB  
Article
A Highly Conserved Glycine in a Hotspot for Neurological Disease Mutations in Na+,K+-ATPase Is Critical to Na+ and K+ Occlusion
by Mads S. Toustrup-Jensen, Rikke Holm, Jens Peter Andersen and Bente Vilsen
Biomolecules 2026, 16(4), 601; https://doi.org/10.3390/biom16040601 - 17 Apr 2026
Abstract
Na+,K+-ATPase possesses a highly conserved glycine (G358 in the α3 isoform) that—together with a nearby isoleucine (I363 in α3)—is targeted by mutations causing some of the most severe neurological phenotypes of the clinical spectrum of α3-Na+,K+ [...] Read more.
Na+,K+-ATPase possesses a highly conserved glycine (G358 in the α3 isoform) that—together with a nearby isoleucine (I363 in α3)—is targeted by mutations causing some of the most severe neurological phenotypes of the clinical spectrum of α3-Na+,K+-ATPase mutations. The disease mutations α3-G358V and α3-I363N affect Na+ and K+ transport to an extent incompatible with cell growth. However, alanine replacement of the corresponding glycine G363 in the α1 isoform is compatible with cell growth, allowing the effects on Na+,K+-ATPase function to be addressed using enzymatic assays on plasma membranes isolated from transfected cells. Occlusion of Na+ appears to be defective in mutant G363A, resulting in a reduced rate of phosphorylation from ATP. Furthermore, the mutation displaces the major conformational equilibrium of Na+,K+-ATPase such that the K+-occluded state is destabilized and occluded K+ is released faster, thereby leading to accumulation of a non-productive state without bound Na+ or K+. The critical function of the glycine can be ascribed to a strategic location at the bending point between an α helix and a β strand, where it connects the catalytic ATP hydrolysis site in the cytoplasmic P domain with the ion-binding region in the membrane and coordinates important intramolecular domain movements during the Na+,K+-ATPase transport cycle. Full article
(This article belongs to the Section Cellular Biochemistry)
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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)
19 pages, 2117 KB  
Article
Machine Learning-Based Prediction of Multi-Year Cumulative Atmospheric Corrosion Loss in Low-Alloy Steels with SHAP Analysis
by Saurabh Tiwari, Seong Jun Heo and Nokeun Park
Coatings 2026, 16(4), 488; https://doi.org/10.3390/coatings16040488 - 17 Apr 2026
Abstract
Atmospheric corrosion of carbon and low-alloy steels causes direct economic losses that are estimated at around 3.4% of the global GDP, and its accurate multi-year prediction is essential for protective coating selection, service-life estimation, and infrastructure maintenance scheduling. In this study, machine learning [...] Read more.
Atmospheric corrosion of carbon and low-alloy steels causes direct economic losses that are estimated at around 3.4% of the global GDP, and its accurate multi-year prediction is essential for protective coating selection, service-life estimation, and infrastructure maintenance scheduling. In this study, machine learning (ML) algorithms, including gradient boosting regressor (GBR), eXtreme gradient boosting (XGBoost), random forest (RF), support vector regression (SVR), and ridge regression, were trained on a 600-sample physics-grounded dataset to predict the cumulative atmospheric corrosion loss (µm) of low-alloy steels over 1–10 years of exposure. The dataset was constructed using the exact ISO 9223:2012 dose–response function (DRF) for a first-year corrosion rate and the ISO 9224:2012 power-law multi-year kinetic model (C(t) = C1·t0.5), spanning ISO 9223 corrosivity categories C2–CX across 11 environmental and material input features. All models were evaluated on the original (untransformed) corrosion scale under an 80/20 train/test split and five-fold cross-validation. Gradient boosting achieved the best overall performance with test set R2 = 0.968, CV-R2 = 0.969, RMSE = 10.58 µm, MAE = 5.99 µm, and MAPE = 12.6%. XGBoost was a close second (R2 = 0.958, CV-R2 = 0.960). RF achieved an R2 of 0.944. SHAP (SHapley Additive exPlanations) analysis identified SO2 deposition rate, exposure time, relative humidity, Cl deposition rate, and temperature as the five most influential predictors. The dominance of the SO2 deposition rate (mean |SHAP| = 26.37 µm) and the high second-place ranking of exposure time (13.67 µm) are fully consistent with the ISO 9223:2012 dose–response function and ISO 9224:2012 power-law kinetics, respectively, while among the material features, Cu and Cr contents showed the strongest negative SHAP contributions, confirming their corrosion-inhibiting roles in weathering steels. These results establish a physics-consistent, interpretable ML benchmark exceeding R2 = 0.90 for multi-year cumulative corrosion loss prediction and provide a quantitative tool for alloy screening, coating selection in aggressive atmospheric environments, and service-life planning. Full article
23 pages, 3854 KB  
Perspective
Potential Impact of Fires on Enhanced Rock Weathering: Learning from the Effects of Fires on Soil Properties and Nutrients
by Karam Abu El Haija and Rafael M. Santos
Fire 2026, 9(4), 173; https://doi.org/10.3390/fire9040173 - 17 Apr 2026
Abstract
Enhanced rock weathering (ERW) is a promising carbon dioxide removal strategy that accelerates silicate mineral dissolution to generate alkalinity and sequester carbon in soils and aquatic systems. The frequency and severity of fires are increasing globally, and fire-prone regions such as agricultural lands, [...] Read more.
Enhanced rock weathering (ERW) is a promising carbon dioxide removal strategy that accelerates silicate mineral dissolution to generate alkalinity and sequester carbon in soils and aquatic systems. The frequency and severity of fires are increasing globally, and fire-prone regions such as agricultural lands, forests, and grasslands overlap substantially with potential ERW deployment areas. However, fire–ERW interactions remain unexamined. This perspective synthesizes the literature on fire effects on soil properties to develop a conceptual framework for predicting fire impacts on ERW performance. An assessment of the available literature reveals that the effects of fire on soil pH and inorganic carbon are nonlinear with respect to severity, complicating both dissolution kinetics and carbon verification. Base cation pulses from ash are temporary and subject to rapid export. Fire-induced soil water repellency and erosion may dominate chemical effects in controlling ERW material fate, particularly during the first year post-fire. Pyrogenic carbon and thermally altered minerals create novel soil‒rock interactions with unknown consequences for weathering rates. The authors concluded that fire history must be incorporated as a covariate in ERW deployment planning and monitoring, reporting, and verification design. Full article
23 pages, 1257 KB  
Article
ACE-Inhibitory Peptides from Yanbian Cattle Hemoglobin: Screening, Kinetics, and Molecular Dynamics Simulation
by Shihan Yang, Tingting Gao, Bowen Qin, Chenguang Li, Chunxiang Piao, Mingxun Cui, Hongmei Li, Baide Mu, Juan Wang, Tingyu Li, Qingwei Jiang, Aihui Lv and Guanhao Li
Foods 2026, 15(8), 1414; https://doi.org/10.3390/foods15081414 - 17 Apr 2026
Abstract
The global burden of hypertension continues to rise, highlighting an urgent need for effective therapeutic strategies. Angiotensin-converting enzyme (ACE) is central to blood pressure regulation, but commonly used synthetic ACE inhibitors often have adverse side effects, spurring the search for safer natural alternatives. [...] Read more.
The global burden of hypertension continues to rise, highlighting an urgent need for effective therapeutic strategies. Angiotensin-converting enzyme (ACE) is central to blood pressure regulation, but commonly used synthetic ACE inhibitors often have adverse side effects, spurring the search for safer natural alternatives. The aim of this study was to investigate Yanbian cattle hemoglobin as a novel precursor for ACE inhibitory peptides. The <1 kDa fraction was identified as exhibiting the highest inhibitory activity through the systematic screening of hydrolysates across multiple molecular weight ranges. LC-MS/MS analysis identified 1980 peptides, of which four were selected for further experiments. Solid-phase synthesis confirmed that NFGYDL exhibited the strongest ACE inhibition (IC50 = 54.95 μM). Inhibition kinetics showed FHDYL acted as a mixed-type inhibitor, DLGHF and NFGYDL as competitive inhibitors and GFHLD as a non-competitive inhibitor. Molecular dynamics simulations validated the stable binding of these bovine blood-derived peptides to the ACE complex. HUVEC functional assays demonstrated that four peptides significantly increased angiotensin II-induced nitric oxide production and endothelin-1 levels, suggesting their potential antihypertensive activity. These findings suggested that bovine blood is a promising natural source of ACE-inhibitory peptides and holds potential for application as a functional component in functional foods targeting hypertension management. Full article
(This article belongs to the Section Food Physics and (Bio)Chemistry)
23 pages, 1013 KB  
Review
When Red Blood Cells Meet Carbon Monoxide: Yin and Yang in Medicines and Pharmaceuticals
by Taisei Nagasaki, Victor Tuan Giam Chuang, Masaki Otagiri and Kazuaki Taguchi
Pharmaceuticals 2026, 19(4), 634; https://doi.org/10.3390/ph19040634 - 17 Apr 2026
Abstract
Carbon monoxide (CO) is a poisonous gas because it disrupts functional oxygen transport of red blood cell (RBC) by binding heme of hemoglobin with high affinity. Contrarily, endogenous CO, which is constantly generated in the process of heme degradation by heme oxygenase, functions [...] Read more.
Carbon monoxide (CO) is a poisonous gas because it disrupts functional oxygen transport of red blood cell (RBC) by binding heme of hemoglobin with high affinity. Contrarily, endogenous CO, which is constantly generated in the process of heme degradation by heme oxygenase, functions as a gaseous mediator necessary for maintaining physiological homeostasis. This toxicological (Yin) and physiological (Yang) duality presents a distinctive problem in medical and pharmaceutical applications, prompting the central question of this review: How can strict control over CO’s exposure dynamics, magnitude, kinetics, and tissue context be achieved to enable its safe therapeutic use? Here, we integrate the Yin and Yang of CO through an innovative exposure-engineering framework, leveraging the inherent RBC characteristics to offer a novel conceptualization for therapeutic development. We highlight the role of native RBCs as a biologically grounded platform that can convert hemoglobin binding—classically viewed as the basis of CO toxicity—into a measurable and controllable buffering mechanism. Then, reconciling the Yin and Yang of CO based on RBCs enables medical and pharmaceutical modulation that is attractive for clinical situations, therapeutics and diagnostics. Finally, we discuss key translational challenges—local concentration control, patient-specific risk stratification, manufacturability and critical quality attributes, and regulatory positioning—and outline how quantifiable exposure control can enable the safe clinical development of RBC-based CO therapy. Full article
(This article belongs to the Special Issue Pharmaceutical Blood Products)
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13 pages, 2166 KB  
Article
Evaluating Neutralizing Antibody Titers by Recombinant Feline Calicivirus with Heterologous Capsid Protein VP1
by Yang Wang, Wei Lin, Yue Zhang, Hongling He, Yueming Wang, Saisai Li, Qiuyuan Zhang, Shile Huang, Jun Luo and Xiaofeng Guo
Animals 2026, 16(8), 1237; https://doi.org/10.3390/ani16081237 - 17 Apr 2026
Abstract
Feline calicivirus (FCV) is a major pathogen that threatens feline health worldwide. Its global prevalence, extensive genetic variability, and limited cross-protection among strains present significant challenges for vaccine development. In this study, an infectious clone of the FCV-GDJM202201 strain was constructed using the [...] Read more.
Feline calicivirus (FCV) is a major pathogen that threatens feline health worldwide. Its global prevalence, extensive genetic variability, and limited cross-protection among strains present significant challenges for vaccine development. In this study, an infectious clone of the FCV-GDJM202201 strain was constructed using the eukaryotic expression plasmid pcDNA3.1 under the control of the cytomegalovirus (CMV) promoter. The rescued virus, rGDJM-A4822T, exhibited growth kinetics comparable to those of the parental strain in vitro. Subsequently, two recombinant viruses, rGDJM-VP1JL and rGDJM-VP1SH, were generated by replacing the VP1 gene in the GDJM202201 backbone with those from heterologous FCV strains. Notably, these recombinant viruses exhibited reduced viral titers compared to rGDJM-A4822T. Finally, neutralization assays revealed differential neutralizing antibody titers among the recombinant FCVs, with rGDJM-A4822T inducing higher neutralizing antibody titers and cross-neutralizing activity. Collectively, this study establishes an FCV infectious clone that can be used to rescue recombinant viruses carrying heterologous VP1 proteins and to evaluate neutralizing antibody responses. Full article
(This article belongs to the Section Companion Animals)
30 pages, 1288 KB  
Article
Efficient and Dynamically Consistent Joint Torque Estimation for Wearable Neurotechnology via Knowledge Distillation
by Shu Xu, Zheng Chang, Zenghui Ding, Xianjun Yang, Tao Wang and Dezhang Xu
Bioengineering 2026, 13(4), 474; https://doi.org/10.3390/bioengineering13040474 - 17 Apr 2026
Abstract
Wearable neurotechnology depends critically on continuous movement monitoring to characterize motor impairment and recovery in real-world settings. While joint torque serves as a clinically essential kinetic marker, estimating it directly on-device from inertial signals remains challenging due to stringent computational, memory, and energy [...] Read more.
Wearable neurotechnology depends critically on continuous movement monitoring to characterize motor impairment and recovery in real-world settings. While joint torque serves as a clinically essential kinetic marker, estimating it directly on-device from inertial signals remains challenging due to stringent computational, memory, and energy constraints. Lightweight pipelines typically omit computationally expensive time–frequency processing; however, this omission degrades the observability of dynamics encoded in 1D IMU signals and diminishes the effectiveness of standard knowledge distillation strategies. To enable reliable on-device torque inference, we propose a Physically Guided Dual-Consistency Knowledge Distillation (PDC-KD) framework that explicitly integrates biomechanical priors into the learning process through two collaborative pathways: parameter-manifold alignment and physics-guided compensation. The student network receives guidance through Fisher-information-weighted parameter transfer, ensuring robust knowledge distillation despite significant model capacity mismatch. Furthermore, the framework incorporates a physics-guided regularization term that enforces dynamically consistent torque trajectories via a numerically stable Cholesky-parameterized constraint. Experiments demonstrate that the student model preserves teacher-level predictive accuracy while operating within the stringent resource constraints of edge devices (achieving a 98% parameter reduction, ∼2× faster inference, and ∼1 ms latency). Moreover, the proposed method yields torque estimates with enhanced dynamical consistency, providing an efficient biosignal-processing solution for wearable neurotechnology platforms demanding real-time movement analytics. Full article
(This article belongs to the Special Issue Wearable Devices for Neurotechnology)
22 pages, 996 KB  
Review
Single-Atom Catalysts for Low-Temperature Thermocatalytic Ammonia Synthesis
by Javier Arroyo-Caire, José María Abelleira-Pereira and Juan Carlos Serrano-Ruiz
Molecules 2026, 31(8), 1321; https://doi.org/10.3390/molecules31081321 - 17 Apr 2026
Abstract
Ammonia is indispensable to the fertilizer and chemical industries, yet its manufacture still relies predominantly on the energy-intensive Haber–Bosch process operated at 400–500 °C and 150–250 bar, with a substantial carbon footprint. Single-atom catalysts (SACs) and sub-nanometric clusters have recently emerged as promising [...] Read more.
Ammonia is indispensable to the fertilizer and chemical industries, yet its manufacture still relies predominantly on the energy-intensive Haber–Bosch process operated at 400–500 °C and 150–250 bar, with a substantial carbon footprint. Single-atom catalysts (SACs) and sub-nanometric clusters have recently emerged as promising alternatives for thermocatalytic ammonia synthesis under milder conditions because they maximize metal utilization and enable precise control of the active site environment. This review first summarizes how the transition from conventional Fe and Ru nanoparticles to isolated or few-atom sites fundamentally alters the kinetic landscape, favoring associative N2 activation pathways that lower apparent activation energies and alleviate H2 poisoning. We then discuss Ru-based SACs and SAAs supported on zeolites, carbons, ceria, and MXenes, highlighting how strong metal–support and promoter interactions, tandem single-atom/nanoparticle motifs, and alloying strategies tune N2 and H2 binding to deliver high NH3 productivities at 200–400 °C and ≤30 bar. In parallel, we review emerging non-noble systems based on Fe and Co, including high-loading Fe–N4 sites prepared via MOF-derived post-metal-replacement routes and Co single atoms or Co2 clusters on N-doped carbons, which already rival or surpass Ru benchmarks under similar conditions. Collectively, these studies show that tailoring the number of atom metal sites, coordination, and support polarity around isolated metal sites provides a useful tool to mitigate some aspects of volcano and scaling-relation limitations, indicating that SACs could contribute to low-temperature ammonia synthesis when combined with appropriate process design. Full article
(This article belongs to the Section Materials Chemistry)
21 pages, 1874 KB  
Article
Nanostructured Lipid Carriers Enhance Ciprofloxacin Antibacterial Activity Through Diffusion-Controlled Release and Modulation of Bacterial Growth Kinetics
by Javiera Carrasco-Rojas, Felipe I. Sandoval, Javiera Solas-Soto, Christina M. A. P. Schuh, Lorena Rubio-Quiroz, Carlos F. Lagos, Francisco Arriagada and Andrea C. Ortiz
Pharmaceutics 2026, 18(4), 496; https://doi.org/10.3390/pharmaceutics18040496 - 17 Apr 2026
Abstract
Background: The increasing prevalence of multidrug-resistant bacterial infections highlights the need for drug-delivery strategies that improve antimicrobial exposure and sustain therapeutic activity. In this study, ciprofloxacin-loaded nanostructured lipid carriers (NLC-CIP) were developed and evaluated to better understand how formulation-dependent release behavior influences antibacterial [...] Read more.
Background: The increasing prevalence of multidrug-resistant bacterial infections highlights the need for drug-delivery strategies that improve antimicrobial exposure and sustain therapeutic activity. In this study, ciprofloxacin-loaded nanostructured lipid carriers (NLC-CIP) were developed and evaluated to better understand how formulation-dependent release behavior influences antibacterial performance against Escherichia coli. Methods: NLC-CIP were prepared and characterized in terms of size, polydispersity, encapsulation efficiency, and colloidal stability. In vitro release profiles were evaluated across different pH conditions, followed by kinetic modeling. Stability under refrigerated storage was assessed. Antibacterial performance was determined through IC₅₀ measurements and dynamic growth-kinetic analyses, while cytotoxicity was evaluated in HepG2 cells. Results: Ciprofloxacin incorporation increased hydrodynamic diameter (~116 to 194 nm) while preserving low polydispersity (PdI~0.04), high colloidal stability, and encapsulation efficiency (96%). Release studies showed medium-dependent behavior, with rapid release at pH 1.2, 4.5, and 7.4, and more sustained profile at pH 6.8, consistent with diffusion-controlled kinetics (Weibull model). Refrigerated storage preserved release profiles while slowing early-stage kinetics. NLC-CIP showed improved apparent antibacterial activity, reducing the IC50 from 4.9 to 1.2 ng/mL, and sustained bacterial suppression by decreasing growth rates and prolonging doubling times. Unloaded NLCs showed no antibacterial activity, and cytotoxicity assays confirmed favorable biocompatibility. Conclusion: Overall, these results show that NLC-based encapsulation can modulate ciprofloxacin release and reshape drug exposure over time, thereby improving antibacterial performance under the tested conditions. This study supports integrated release and growth-kinetic analyses as a more informative framework for evaluating lipid-based antibiotic delivery systems. Full article
22 pages, 5113 KB  
Article
Spectroscopic and Thermodynamic Elucidation of COD Adsorption Mechanisms on a Porous Carbon-Based Resin
by Yali Wang, Chenghu Wang, Liqing Fan, Miao Li, Ruilin Feng and Yanke Chen
Molecules 2026, 31(8), 1319; https://doi.org/10.3390/molecules31081319 - 17 Apr 2026
Abstract
Semi-coking wastewater generated during coal pyrolysis contains extremely high concentrations of refractory organic pollutants, resulting in elevated chemical oxygen demand (COD) and posing significant environmental risks, making efficient COD removal a critical challenge for sustainable wastewater treatment in the coal chemical industry. In [...] Read more.
Semi-coking wastewater generated during coal pyrolysis contains extremely high concentrations of refractory organic pollutants, resulting in elevated chemical oxygen demand (COD) and posing significant environmental risks, making efficient COD removal a critical challenge for sustainable wastewater treatment in the coal chemical industry. In this study, a porous carbon-based resin (XDA-1G) was investigated as an adsorbent for COD removal from semi-coking wastewater. The adsorption performance and underlying mechanisms were systematically evaluated through adsorption isotherm, kinetic, and thermodynamic analyses, combined with structural characterization using FTIR, XPS, BET, XRD, and SEM–EDS. The resin exhibited a high COD removal efficiency of up to 91% with a maximum adsorption capacity of 2182 mg g−1. Kinetic analysis followed the pseudo-second-order model, while the Freundlich isotherm best described the equilibrium behavior, indicating heterogeneous adsorption. Thermodynamic parameters confirmed that the adsorption process is spontaneous and endothermic. Spectroscopic and structural analyses revealed that COD removal is mainly governed by synergistic mechanisms including π–π interactions between aromatic pollutants and the carbon framework, hydrogen bonding with oxygen-containing functional groups, and pore filling within the hierarchical porous structure. These findings demonstrate the strong potential of porous carbon-based resins as efficient adsorbents for treating high-strength industrial wastewater. Full article
26 pages, 1602 KB  
Article
Molecular and Pharmacokinetic Rationale for the Use of Chelidonium majus L. in Wound Healing: An In Silico and In Vitro Validation
by Ana Borges, Carlos Seiti H. Shiraishi, Rui M. V. Abreu, María Luisa Martín Calvo, Josiana A. Vaz and Ricardo C. Calhelha
Molecules 2026, 31(8), 1320; https://doi.org/10.3390/molecules31081320 - 17 Apr 2026
Abstract
Wound healing involves the coordinated regulation of inflammation, angiogenesis, and extracellular matrix remodeling, processes modulated by natural bioactives. In this context, Chelidonium majus L. (C. majus), a plant rich in alkaloids and flavonoids, remains mechanistically underexplored. This study, therefore, investigates its [...] Read more.
Wound healing involves the coordinated regulation of inflammation, angiogenesis, and extracellular matrix remodeling, processes modulated by natural bioactives. In this context, Chelidonium majus L. (C. majus), a plant rich in alkaloids and flavonoids, remains mechanistically underexplored. This study, therefore, investigates its metabolites using an integrated computational–experimental approach and evaluates their applicability in sericin-based wound-healing systems. A curated database of 83 C. majus bioactive compounds was analyzed using cheminformatics and molecular docking against key wound-healing targets (iNOS, VEGF, MMP-3, and tyrosinase), followed by ADMET and toxicity prediction (StopTox). Selected plant–sericin formulations were subsequently evaluated for wound-healing activity using an in vitro fibroblast scratch assay. Docking revealed strong binding affinities for several metabolites, particularly protopine, kaempferol-3-rutinoside, cynaroside, hesperidin, quercetin-3-rhamnosylrutinoside, and vitexin, indicating multi-target modulation across inflammatory, proliferative, and remodeling phases of tissue repair. ADMET and toxicity analyses predicted favorable dermal safety and pharmacokinetic profiles for most compounds. Consistently, in vitro assays demonstrated that C. majus–sericin systems had fibroblast migration and wound closure in a concentration- and ratio-dependent manner, with improved healing kinetics observed at 150 µg/mL and for formulations containing higher relative proportions of both components. The experimental outcomes supported the pro-angiogenic and matrix-stabilizing mechanisms predicted in silico. Overall, C. majus metabolites exhibit polypharmacological wound-healing activity, supporting their integration into sericin-based systems as a promising strategy for topical therapies. Full article
(This article belongs to the Topic Progress in Drug Design: Science and Practice)
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