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- New
- Research Article
- 10.1007/s13353-025-01028-5
- Nov 8, 2025
- Journal of applied genetics
- Sunandan Swain + 8 more
Buckwheat is an underutilized crop with high nutritional values and antioxidant properties. The study was conducted with an aim to assess the genetic variability of 37 Fagopyrum esculentum Moench. and 67 Fagopyrum tataricum Gaertn. accessions using agro-morphological, biochemical, and microsatellite markers. For yield per plant, accessions, namely, IC24297, IC26591, and IC13413, with superior performances were identified. Based on correlations and regression-based path analysis, the key component traits, namely, number of seeds per plant, 100-seed weight, leaf blade width, seed width, and cyme length, were identified. Among F. esculentum group, EC18771, IC107238, and IC107265 had the highest carbohydrate, protein, and the lowest phytic acid, respectively. Likewise, IC24297, EC18769, and IC26596, with the highest carbohydrate, protein, and lowest phytic acid content, respectively, were identified under the F. tataricum group. By analyzing 65 SSR markers, an average of 2.63 alleles per locus was detected, with an average PIC value of 0.431. The observed heterozygosity for the polymorphic markers varied from 0.019 (Fagopyrum tataricum) to 0.462 (Fagopyrum esculentum), with an average of 0.099, showing the lower level of expected heterozygosity in tartary buckwheat accessions. Based on Nei's genetic distances, the buckwheat accessions were grouped into three clusters. Clusters I and III included the tartary accessions, while Cluster II encompassed both species. The AMOVA, conducted by categorizing the accessions into 25 subpopulations, indicated that 80% of the observed variation was due to differences among individuals, whereas 19% was due to within individuals. Based on additive main effects and multiplicative interaction (AMMI) and multi-trait stability index (MTSI) analyses, accessions, namely, IC13141, IC49667, IC26587, IC107983, and IC107981, have been identified as the best accessions, exhibiting high mean yield and stability across all three environments, and could be utilized in augmenting the buckwheat cultivation.
- New
- Research Article
- 10.1002/smll.202510644
- Nov 7, 2025
- Small (Weinheim an der Bergstrasse, Germany)
- Beibei Yao + 9 more
Titanium dioxide (TiO2) has been extensively investigated in photocatalysis due to its high stability, low toxicity, and biocompatibility. However, its application in hydrogen peroxide (H2O2) production is hindered by the rapid recombination of photogenerated charge carriers and the poor selectivity of the two-electron oxygen reduction reaction (2e- ORR). Here, a CuO/TiO2 photocatalyst is reported, in which CuO nanoparticles are anchored on the TiO2 surface as cocatalysts to provide additional active sites and promote efficient separation of photogenerated electrons and holes. The optimized CuO/TiO2 exhibits a remarkable photocatalytic H2O2 production rate of 19.48mmol g-1 h-1, which is 162 times higher than that of pristine TiO2, with excellent stability sustained over 7 h' continuous irradiation. The apparent quantum yield (AQY) of CuO/TiO2 reaches 7.30% at 365nm. Notably, the CuO/TiO2 demonstrated the promising H2O2 production in pure water (182.31 µmol g-1 h-1). Femtosecond transient absorption spectra (Fs-TAS) reveal that the average lifetime of photogenerated electrons in CuO/TiO2 is 5.8 times longer than in TiO2, confirming the enhanced charge separation and transfer. In situ spectroscopic analyses further demonstrate that CuO/TiO2 facilitates both oxygen reduction and water oxidation pathways. These results highlight CuO/TiO2 as a cost-effective and efficient photocatalyst for sustainable H2O2 production.
- New
- Research Article
- 10.55905/revconv.18n.11-075
- Nov 7, 2025
- CONTRIBUCIONES A LAS CIENCIAS SOCIALES
- Hallan Wagner Alves De Farias + 7 more
The COVID-19 pandemic increased mental-health demand and symptom burden, calling for local evidence to inform care. We aimed to assess the pandemic’s impact on the clinical-epidemiological profile and demand for psychiatric care at the teaching outpatient clinic of Afya Faculdade Porto Nacional, describing demographics, symptoms, and key associations. We conducted an observational, analytical, retrospective study using secondary data from 2021–2023 (n=123). Descriptive analyses were complemented by odds ratios (OR) between symptoms and diagnoses and internal consistency (Cronbach’s alpha) of a symptom score. The sample was predominantly female (55–61%), mostly young adults (18–44 years), and residents of Porto Nacional (~85%). The score showed acceptable reliability, with higher stability in 2022–2023. Depression was associated with anxiety (OR=6.56; p=0.019), suicidal ideation (OR=3.79; p<0.001), and fatigue/low energy (OR=3.24; p=0.004). Anxiety was associated with suicidal ideation (OR=2.97; p=0.004), sleep disturbances (OR=2.15; p=0.046), and fatigue (OR=3.02; p=0.005). Demographic patterns were homogeneous across years, with signs of elevated BMI in 2021–2022. We conclude that anxiety and depression account for the post-pandemic clinical burden, with core symptoms (suicidal ideation, fatigue, sleep problems) guiding screening and integrated care pathways. The symptom score shows promise as a triage tool but requires further validation.
- New
- Research Article
- 10.1021/acsabm.5c01648
- Nov 7, 2025
- ACS applied bio materials
- Ruiying Zhang + 9 more
Flexible and environmentally friendly electrochromic devices (ECDs) show great application potential for active light management, such as smart color-changing windows and color-changing sunglasses. Natural cellulose, as an environmentally friendly, low-cost, and renewable material, has advanced the development of sustainable ECDs, while its hydrophilic nature leads to unstable performance, especially in humid and rainy conditions. Therefore, we presented the sandwich-structured cellulose acetate-cellulose (CA-C)/PEDOT:PSS by layer-by-layer assembly, which displays high water resistance and mechanical stability as well as a fast transmittance response to the external voltage. By applying a forward voltage of 3 V, the transmittance of the prepared electrochromic composite film quickly changes from 83% to 40%; under a backward voltage, it recovers to its initial state within 2 s. Additionally, the cellulose-based composite film also demonstrates stable electrochromic capability after 500 bending cycles or 24 h of working in an outside environment, even under high humidity. The developed CA-C/PEDOT:PSS electrochromic composite film paves the way toward advancing electrochromic materials to be more sustainable and stable in a low-carbon society.
- New
- Research Article
- 10.1002/anie.202519485
- Nov 7, 2025
- Angewandte Chemie (International ed. in English)
- Zuwei Luo + 7 more
Achieving simultaneous high activity, selectivity, and stability in ester hydrogenation remains a persistent challenge, largely due to the competitive adsorption of reactants at active sites. Here, we introduce an inverse NiOx-Ag interface as a general design platform to spatially decouple the activation of H2 and ester, exemplified with dimethyl oxalate (DMO). The catalyst (Ag-Ni/SiO2), synthesized via controlled partial reduction of Ni phyllosilicate followed by Ag deposition, features electron-rich Ag sites and electron-deficient interfacial Ni sites arising from interfacial electron transfer. Comprehensive characterizations reveal abundant NiOx-Ag interfaces with modified coordination and electronic structures. In situ Fourier-transform infrared spectroscopy, temperature programmed desorption/surface reaction, and H2-D2 isotope exchange experiments demonstrate that H2 is preferentially dissociated at Ag sites, while DMO adsorbs and activates on NiOx sites, effectively mitigating competitive adsorption. Theoretical calculations confirm the cooperative nature of the interface, showing low barriers for H2 dissociation and favorable desorption energetics for methyl glycolate (MG), suppressing over-hydrogenation. Accordingly, the Ag-Ni/SiO2 catalyst delivers a turnover frequency of 944.4 h-1 with ∼99% selectivity to MG over 500h of continuous operation, among the highest reported for DMO hydrogenation. This work establishes interfacial inversion engineering as a versatile approach to optimize site complementarity in multi-step catalytic transformations.
- New
- Research Article
- 10.1002/open.202500430
- Nov 7, 2025
- ChemistryOpen
- Martins O Omorogie
This review reports the progress on the utilizationof polymers of intrinsic microporosity (PIMs) for the adsorption of pharmaceuticals (PCs) and organic dyes. PIMs are exceptional porous organic polymers that possess copious contortion sites and rigid fused-ring structures induced by spirocentric molecules (two cyclic rings sharing one tetrahedral carbon). The availability of these contortion sites inhibits bond flexibility, bond rotation, and structural relaxation of PIMs in their solid state. This has led to the intrinsic microporosity, high Brunauer-Emmett-Teller and Barrett-Joyner-Halenda surface areas, pore radii, pore volumes, high permeability, high diffusivity, high selectivity, and high thermal stability. PIMs comprise a cascade of girthy ladder-like building blocks connected to the spirocentre as a result of inflexible backbone stereochemistry. Research progress has shown from a thorough literature survey that the adsorptive properties of PIMs and their functionalized analogs have not been extensively explored for the removal of PCs and organic dyes in contaminated water. To date, there exists scanty literature on the adsorption of PCs in contaminated water. In prospect, research efforts have to be intensified so as to establish vast applications of PIMs for the treatment of water contaminated with PCs and organic dyes.
- New
- Research Article
- 10.1021/acs.langmuir.5c04016
- Nov 7, 2025
- Langmuir : the ACS journal of surfaces and colloids
- Longqi Zhao + 6 more
Developing stretchable transparent electrodes that simultaneously achieve high conductivity, optical transparency, mechanical stretchability, and environmental stability remains a significant challenge. In this study, a fluorosilane-modified sandpaper template was employed to create a nanosilica-enhanced PDMS composite membrane with a wrinkled surface structure, which enhances the mechanical properties and facilitates the ordered assembly of the conductive materials. The high modulus of the nanosilica preserved the micronano structural integrity after demolding without sacrificing membrane flexibility, while the textured surface and relatively hydrophilic nature enable straightforward surface modification. Through spin-coating and thermal treatment, silver nanowires (AgNWs) and poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) were sequentially deposited onto the structured membrane, yielding a dense, well-adhered conductive network. The resulting flexible composite electrode retained optical transparency while exhibiting excellent electrical conductivity, enhanced stretchability, and outstanding environmental stability, underscoring its potential for wearable thermal management and strain sensing applications.
- New
- Research Article
- 10.1038/s41467-025-64813-0
- Nov 7, 2025
- Nature communications
- Mengxiao Liang + 7 more
Mitophagy is crucial for the selective autophagic degradation of damaged mitochondria, helping to maintain both mitochondrial and cellular homeostasis. Here, we report a fluoroalkylated polypyridinium that specifically targets mitochondria and exhibits high activity in mitophagy induction. The polymer effectively restores mitochondrial function and alleviates the inflammatory response in foam cells by activating mitophagy, and displays inherent red fluorescence under physiological conditions, allowing for direct tracing of its biodistribution in cells and in vivo. Besides, the polymer nanoparticle shows high serum stability due to the antifouling properties of fluoroalkyl tags. After intravenous administration, the nanoparticle reduces oxidative stress, promotes mitophagy, and decreases cellular senescence in atherosclerotic plaques, contributing to high therapeutic efficacy. This study presents an innovative and effective strategy for the treatment of atherosclerosis and other mitochondrial dysfunction-related inflammatory conditions.
- New
- Research Article
- 10.1021/acsami.5c14094
- Nov 7, 2025
- ACS applied materials & interfaces
- Sayani Chowdhury + 3 more
The ongoing shift toward energy efficiency and sustainable transportation has intensified the demand for advanced lubrication technologies capable of reducing frictional losses and enhancing mechanical durability. In this context, lubricant additives have emerged as critical components for improving the performance of base oils under extreme operating conditions. Metal-Organic Frameworks (MOFs), with its crystalline porous architecture and tunable physicochemical properties, offer a novel class of additives with significant potential in tribological applications. Their high surface area, structural versatility, and thermal stability enable them to form robust protective films, minimize wear, and provide long-term performance even in demanding environments. MOFs also exhibit low electrical and high thermal conductivity, which makes them especially well-suited for modern lubrication challenges, including those posed by electric vehicle (EV) systems. This review presents an in-depth exploration of MOF-based lubricant additives and their composites, focusing on their tribological behaviors, interaction mechanisms, and potential for achieving superlubricity. It also examines the evolving role of MOFs in addressing lubrication requirements specific to EVs, such as thermal management and material compatibility. By highlighting recent advancements and future prospects, this review underscores the promise of MOF-based materials as next-generation additives for efficient, environmentally friendly lubrication strategies.
- New
- Research Article
- 10.1021/acs.langmuir.5c05050
- Nov 7, 2025
- Langmuir : the ACS journal of surfaces and colloids
- Jun Yu + 8 more
Hydrophilic modification of materials is crucial for optimizing the performance of flexible supercapacitors, which are promising energy-storage devices for flexible and wearable electronics. However, enhancing the wettability of coaxial electrospun membranes to facilitate the uniform growth of active materials and improve electrochemical performance remains a key challenge. Herein, we propose a hydrophilic modification strategy using ethanolamine (MEA) heat treatment, which significantly enhances the wettability of coaxial electrospun CNT/MOF-5/PAN/PVDF (C-MNF) membranes and promotes the uniform in situ growth of Co3O4 nanoneedles. Characterization results reveal that hydrophilic modification improves the penetration and diffusion of Co2+ ions within the substrate, optimizing the nucleation and growth environment for Co3O4 crystals. By integrating multiple mechanisms such as Zn2+/Co2+ ion exchange, Fe3+-induced oxidation, and spontaneous crystal transformation, the material's interface structure and electrochemical performance were synergistically enhanced. The resulting Co3O4@C-MNF composite electrode achieved a mass-specific capacitance of 310 F g-1 at 0.5 A g-1, with good rate performance (250 F g-1 at 10 A g-1) and low interfacial resistance (∼51 Ω). A symmetric supercapacitor device constructed with the modified material exhibited a maximum energy density of 4.94 Wh kg-1, high cycling stability (94.2% capacity retention after 8000 cycles), and stable output in various bending states. These results highlight the potential of the device for flexible, wearable energy storage applications and provide an approach and material system for the design of high-performance flexible supercapacitors.
- New
- Research Article
- 10.1021/acs.inorgchem.5c04429
- Nov 7, 2025
- Inorganic chemistry
- Lulu Kang + 3 more
This study successfully synthesized single-phase MOF-808(Hf) (1) and its postmodified derivatives, Im@MOF-808(Hf) (Im@1) and Tra@MOF-808(Hf) (Tra@1) via sublimation-induced loading of imidazole and 1,2,4-triazole. The guest molecules (Im/Tra) did not disrupt the spn-type three-dimensional porous framework of 1; they only reduced the pore size and specific surface area by occupying the channels, confirming that the postmodification process was controllable and efficient. All three materials exhibited excellent comprehensive properties: high thermal stability (decomposition temperature >455 °C), good water stability, acid-base stability over a wide pH range (1.5-12.5), and strong water vapor adsorption capacity, fully meeting the core stability requirements for proton exchange membrane fuel cells. In terms of proton conduction, all samples showed notable performance, with proton conductivity (σ) increasing significantly with rising temperature and relative humidity (RH). Among them, Im@1 performed best, achieving a σ of 0.127 S·cm-1 at 98% RH/100 °C, 27 times higher than that of pristine 1. Mechanistically, all samples realized efficient proton transport by the Grotthuss mechanism, except Tra@1 at 68% RH, which followed the Vehicle mechanism. In summary, 1 and its postmodified composites hold substantial application potential for proton conduction in PEMFCs.
- New
- Research Article
- 10.1038/s41598-025-25696-9
- Nov 7, 2025
- Scientific reports
- M Chandhana Ishwarya + 10 more
Finger millet productivity is strongly influenced by genotype × environment interaction (GEI), which complicates the identification of high-yielding and stable genotypes. This study evaluated 35 genetically diverse finger millet genotypes across three agro-ecological zones viz., Odisha (E1), Jharkhand (E2), and Bihar (E3) during two rabi seasons (2023-24 and 2024-25). A randomized block design with three replications was implemented and key quantitative traits i.e. grain yield per plant, 1000-grain weight, and number of fingers on the main ear were recorded. AMMI and GGE biplot analyses were applied to assess GEI, stability, and adaptability. Genotype G18 (VR-1176) consistently emerged as the most stable and high-yielding across environments, followed by G13 (VL-Mandia-352), G28 (Bada Mandia), G3 (PR-1639), G25 (Bada Kumnda), G26 (Badatara), G11 (VR-1223), G15 (VR-12-38), G14 (OEB-610), and G33 (FEZN-84). AMMI 1 and AMMI 2 biplots confirmed these findings, highlighting G18 and G15 as superior performers. Among sites, Jharkhand (E2) was identified as the most favourable environment. Additionally, molecular profiling using UGEP markers 46, 66, and 68 revealed polymorphic banding in high-yielding genotypes, which validates phenotypic observations. The integration of phenotypic and molecular analyses provides a robust framework for identifying finger millet genotypes with both high productivity and yield stability, supporting their recommendation for breeding programs and wider cultivation.
- New
- Research Article
- 10.1007/s10856-025-06929-9
- Nov 7, 2025
- Journal of materials science. Materials in medicine
- Swetha Sankameswaran + 3 more
Advances in bone tissue engineering and dental regenerative medicine have made strides in the development of several biomaterials. Optimizing the chemical and physical milieu of scaffold is required to induce osteogenesis for faster bone regeneration. In this study, polymer blend of Polyvinyl Alcohol (PVA) and Polyvinylpyrrolidone (PVP) doped with nHAP-ZnO Np was prepared by a solution casting technique. Structural and physiochemical characterization was performed. In vitro cytotoxicity analysis was performed through tetrazolium-based assay (MTT) assay and the differentiated cells were subjected to alkaline phosphatase assay (ALP) and alizarin red S (ARS) analysis respectively. Scanning Electron microscopic (SEM) analysis showed a rough and uniform matrix arrangement of the PVA-PVP blend. Crystallites properties and functional groups was confirmed by X ray diffractometer (XRD) analysis and Fourier transform infrared spectroscopy (FT-IR) respectively. The optimal water absorption capacity was observed in PVA-PVP-nHAP-ZnO Np scaffold (P3) and also degradation pattern was analysed for PVA-PVP (P1), PVA-PVP-nHAP (P2) and PVA-PVP-nHAP-ZnO Np (P3) scaffolds where P3 scaffold holds high stability compared to P1 and P2 scaffolds. In the thermal stability analysis, PVA-PVP (P1) and PVA-PVP-nHAP-ZnO Np (P3) scaffolds showed an overall stability up to 270 °C. Highly miscible blends of PVA-PVP and 1 wt% nHAP - ZnO Np was observed with semi-crystallinity in Differential Scanning Calorimetry (DSC) analysis. The mechanical property of the PVA-PVP-nHAP-ZnO Np (P3) scaffold has shown an increasing trend in tensile strength analysis. The cytotoxic study of scaffolds showed 84% of cell viability confirming high biocompatibility than compared to plain scaffold. the elevated level of ALP and calcium deposition was observed in loaded scaffold (P3). Thus, PVA-PVP-nHAP-ZnO Np (P3) scaffold supports and induces osteogenesis and can be used as biomaterial in bone regenerative medicine.
- New
- Research Article
- 10.1115/1.4070062
- Nov 6, 2025
- Journal of Tribology
- Le Thi Thuy Trang + 5 more
Abstract Graphene is well known as an excellent solid lubricant and one of the most effective additives. Enhancing the lubricity of polyalphaolefin (PAO) oils with graphene additives significantly increases their potential applications. Due to its diverse effects, graphene additives continue to be the subject of intensive and ongoing research. The aim of this study is to use molecular dynamic simulations to identify conditions under which graphene additives significantly enhance lubricating performance. Various graphene shapes, including square, rectangular, and fishbone, and their different sizes are considered. Friction behavior is analyzed based on additive concentration and tribofilm formation. To evaluate their influence, PAO oils with molecules containing 1, 3, and 7 branches are examined. Additionally, the study investigates the effects of temperature and sliding velocity on lubrication. The findings indicate that graphene's shape and size significantly affect the friction coefficient. Small square-shaped graphene provides the best lubrication, exhibiting both a low friction coefficient and high stability. PAO lubricants with molecules containing a higher number of branches demonstrate greater stability and improved lubrication, observed across additive concentrations ranging from 2 wt% to 10 wt%. Variations in the results stem from interactions between PAO molecules and graphene sheets. When graphene sheets within the tribofilm align along the sliding direction and maintain extensive contact with the slider, tribofilm lubricity is significantly enhanced, leading to a substantial reduction in the friction coefficient. The findings emphasize the crucial role of graphene sheet geometry and PAO molecular structure in lubrication efficiency, revealing the optimal conditions for achieving significant friction reduction across various investigative parameters.
- New
- Research Article
- 10.3389/fdmed.2025.1686600
- Nov 6, 2025
- Frontiers in Dental Medicine
- Saulius Drukteinis + 2 more
Background Dental trauma can jeopardize the long-term success of previous endodontic treatments, especially in teeth affected by orthodontically induced inflammatory root resorption (OIIRR). This case presents the first documented association between secondary trauma-induced acidity and degradation of ProRoot mineral trioxide aggregate (MTA) in such compromised teeth. Case presentation A 20-year-old male with a history of orthodontic treatment and severe apical root resorption sustained a subluxation injury to tooth 22, leading to pulp necrosis and apical pathosis. Initial endodontic management with ProRoot MTA achieved favorable outcomes at 6- and 18-month follow-ups. Two-and-a-half years later, secondary trauma occurred. Over the following 18 months, the tooth developed acute symptoms, a periapical lesion, and radiographic signs of MTA disintegration. Endodontic retreatment with Biodentine resolved the symptoms and achieved complete periapical healing, confirmed at 3, 6, and 18 months, and 4 years post-treatment. Conclusion This case highlights MTA's susceptibility to acidic degradation in compromised conditions and supports Biodentine as a potentially more pH-resistant alternative. Clinicians should be vigilant when treating traumatized, orthodontically compromised teeth and prioritize restorative materials with high stability in hostile environments to minimize treatment failure risk.
- New
- Research Article
- 10.1186/s12866-025-04428-z
- Nov 6, 2025
- BMC microbiology
- Lin Yuan + 7 more
Enterococcus faecium is a Gram-positive bacterium commonly found in the intestines of humans and animals. While certain strains exhibit probiotic properties, others have become significant pathogens due to their high level of antibiotic resistance. Bacteriophages, as natural bacterial predators, have emerged as promising alternatives for controlling bacterial infections, especially antibiotic-resistant strains. In this study, we isolated and characterized a novel bacteriophage, Enterococcus phage XWef1, which targets E. faecium, from waste materials of a feed additive production industry. The phage displayed optimal activity at pH levels between 6 and 8, with high stability at temperatures below 40°C. It exhibited a narrow host range. Genomic analysis revealed 63 open reading frames (ORFs), including genes related to structural proteins, DNA replication, and host lysis. The comparative genomic analysis showed that XWef1 has less than 70% intergenomic similarities with its most similar phages. Thus, we propose that XWef1 is a novel Enterococcus phage belonging to a new genus. The discovery of XWef1 not only enriches our understanding of phage diversity but also offers new perspectives for phage research and development, with promising implications for microbial control and therapeutic applications.
- New
- Research Article
- 10.1021/acschembio.5c00614
- Nov 6, 2025
- ACS chemical biology
- Jianfei Zhang + 7 more
Therapies that stimulate DLX5-driven osteogenesis in bone-marrow-derived mesenchymal stem cells (BMSCs) with bone morphogenetic proteins (BMPs) potently accelerate the healing of delayed union and nonunion fractures, but their superior osteoinductive activity is often offset by severe adverse effects. To provide a safer and more effective alternative, we engineered a circular aptamer-antisense oligonucleotide chimera (CircApt-ASO) to activate DLX5-regulated osteogenesis by silencing STAT5A, a key negative regulator of DLX5. CircApt-ASO utilizes a transferrin receptor 1 (TFR1)-binding aptamer, enabling both specific nanoaffinity targeting of BMSCs and efficient intracellular delivery of the anti-STAT5A ASO. Compared with chemically modified linear aptamer-ASO chimeras, CircApt-ASO chimeras exhibit superior biostability and more robust STAT5A gene silencing but negligible cytotoxicity relative to liposome-based ASO delivery methods. Importantly, we demonstrated that CircApt-ASO drastically activated the expression of DLX5 and its downstream osteogenesis-related genes in dose- and time-dependent manners, leading to markedly enhanced osteogenic differentiation. The high stability, potent osteoinductive activity, and minimal cytotoxicity of CircApt-ASO highlight its strong therapeutic potential for promoting bone regeneration in conditions such as delayed union and nonunion fractures.
- New
- Research Article
- 10.1007/s10238-025-01901-x
- Nov 6, 2025
- Clinical and experimental medicine
- Xinyi Wang + 6 more
This study aimed to explore molecular mechanisms of benzo[a]pyrene (B[a]P) induced eosinophil-associated chronic obstructive pulmonary disease (COPD) via network toxicology and molecular dynamics modeling. Analyze chemical structures using PubChem, integrate STITCH, Swiss Target Prediction and ChEMBL databases to predict potential target molecules; use ADMETlab to assess physicochemical properties and PROTOX to predict toxicity; combine STRING and Cytoscape (based on UniProt data standardization) to screen core disease-related target molecules; conduct Gene Ontology (GO)/Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis, focusing on inflammation and immune regulation pathways; perform molecular docking using AutoDock; visualize key binding sites using PyMOL/Discovery Studio; conduct 100-ns molecular dynamics simulations using Gromacs; and systematically assess the stability and dynamic mechanisms of the B[a]P-target complex based on root-mean-square deviation (RMSD) fluctuations and changes in radius of gyration. This study screened 48 potential targets related to eosinophils in COPD through protein interaction analysis, focusing on five core targets: PTPRC, SRC, AKT1, MYC, and CSF-1R. GO and KEGG analyses revealed their involvement in inflammation- and immune-related biological processes and signaling pathways. Molecular docking and kinetic simulations confirmed stable binding between the targets and B[a]P, with PTPRC exhibiting exceptionally high stability in its interactions. This study elucidated the molecular mechanisms underlying B[a]P-induced eosinophil-related COPD through network toxicology, molecular docking and kinetic modeling. It identified key targets (PTPRC, AKT1, CSF-1R) and elucidated the molecular mechanisms linking environmental pollutants to COPD pathology and the association between environmental pollutants and eosinophil-associated COPD pathology. These findings provide a scientific basis for targeted interventions.
- New
- Research Article
- 10.3389/fphar.2025.1706617
- Nov 6, 2025
- Frontiers in Pharmacology
- Maha Al-Asmakh + 14 more
Introduction Focal segmental glomerulosclerosis (FSGS) is a serious disease that culminates in kidney failure. Today, FSGS is diagnosed histologically as a progressive scarring of the glomeruli due to gradual loss or damage of the podocyte layer, making it one of the main targets of FSGS therapeutic approaches. However, given that podocytes are terminally differentiated, post mitotic epithelial cells with limited proliferative capacity, they are considered one of the most vulnerable components of the glomeruli. Aim and Methods We herein investigated the effect of trehalose, a naturally occurring sugar with low toxicity and high stability, on kidney function using a murine model of adriamycin‐induced nephropathy. Results Based on our data, trehalose administration improved proteinuria in mice with FSGS compared to those without FSGS induction (24 h urine protein of 0.30±0.06 versus 0.55±0.08, p-value&lt;0.05, and urine protein to creatinine ratio of 0.78±0.25 versus 1.56±0.17, p-value&lt;0.05, respectively this is accompanied by reduced fibrosis and podocyte damage. Significant reduction in collagen deposition in glomeruli observed in mice treated with trehalose, P-value&lt;0.01 and significant reduction in glomerular basement membrane thickness, P-value&lt;0.001. Moreover, trehalose intake is associated with higher mature podocyte markers at gene and protein expression levels, Nphs1, Nphs2 and Synpo. These favorable effects seem to be mediated mainly via increased WT-1/EZH2 signaling, which is a key pathway in maintaining normal podocyte function and growth. These effects were also observed in the downstream signaling pathway with lower expression of Mmp-7 and Catenin b1 gene expression (p-value&lt;0.05 and &lt;0.01, respectively). Conclusion Our findings suggest that trehalose could be a promising therapeutic agent for FSGS, nevertheless, more studies are necessary to confirm our findings and evaluate trehalose efficacy in clinical settings.
- New
- Research Article
- 10.1021/acsami.5c16663
- Nov 6, 2025
- ACS applied materials & interfaces
- Hairui Cai + 8 more
Ruthenium, a promising lower-cost, high-activity alternative to iridium for acidic PEMWE oxygen evolution, requires innovative stabilization and bifunctionality enhancement strategies due to its dissolution and nanoparticle instability under OER conditions and inferior HER activity compared to platinum. Herein, a novel strategy for bifunctional acidic water electrolysis catalysts integrates Y-doped Ru nanoparticles onto CNT-decorated carbon cloth (Y-Ru/CNT/CC), yielding high activity and stability. Introducing Y atom shifts the Ru d-band center negatively, reducing excessive adsorption of oxygen-containing intermediates and improving OER stability, while optimizing the hydrogen adsorption free energy (ΔGH*) for enhanced HER activity. Furthermore, the CNT support provides a highly conductive network and abundant anchoring sites, which cooperate with Y-doping to inhibit Ru dissolution migration under acidic conditions. The catalyst exhibited excellent bifunctional activity in 0.5 M H2SO4 (HER: η10 = 27 mV; OER: η10 = 185 mV), which was significantly better than that of commercial Pt/C and RuO2. This study presents a novel approach to designing a cost-effective acidic electrolytic water catalyst, promoting the practical application of PEMWE technology.