WATER RESEARCH
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2026
·
IF 12.8
Xinda Wu,Yicong Ma,Ziyao Liu,Cheng Gu
Perfluorocarboxylic acids (PFCAs) exist as mixtures in aquatic environments. However, routine PFCA monitoring remains instrument-intensive and often reports concentrations rather than mixture toxicity for water risk management. Herein, we developed a machine-learning-assisted fluorescence framework that estimates the perfluorooctanoic acid (PFOA)-equivalent toxicity ( PFOAe ) for aqueous PFCA mixtures. The method used a simple bovine serum albumin/1-anilinonaphthalene-8-sulfonate (BSA/ANS) probe. The machine learning framework was developed by utilizing a stacked ensemble model, including XGBoost and CatBoost base-learners with a Ridge meta-learner to decipher the nonlinear relationships between excitation emission matrices and PFOAe . On the log 10 ( PFOAe ) scale, the model achieved a root mean squared error (RMSE) of 0.286 on a held-out test set, and an RMSE of 0.280 for spiked tap-water samples. Five authentic electroplating wastewater samples further provided a limited real sample feasibility validation. The limit of detection was 0.126 µmol l -1 PFOAe (52.2 µg l -1 as PFOA), enabling rapid screening and prioritization of moderately-to-highly contaminated waters rather than trace-level analysis. Moreover, the reconciliation between chemical fluorescence phenomena and data-driven mechanistic interpretation suggests that the model behavior is consistent with the underlying chemical mechanism. Our method provides a lower complexity and risk-relevant screening tool to prioritize water samples for further confirmatory instrumental analysis and support monitoring-based risk management for PFCA mixtures.
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CHINESE JOURNAL OF CHEMICAL ENGINEERING
·
2026
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IF 3.5
Yuxin Zhu,Jiaxing Li,Lielin Xiang,Liang He,Chao Su,Zhong Li,Mohamed Mamlouk,Mindrov K. Anatolyevich,Tao Wei
Based on the confinement of the ionic liquid (IL) within the HKUST-1 metal–organic framework (MOF), this work successfully developed a novel gel polymer electrolyte (HKU-5), for room-temperature (RT) quasi-solid lithium metal batteries. X-ray diffraction (XRD), scanning electron microscopy (SEM), N 2 adsorption-desorption isotherm analysis and different electrochemical characterizations were carried out. In Li|Li symmetric cells, HKU-5 enables stable lithium plating/stripping for over 800 hours (0.1 mA·cm –2 ) and effectively suppresses lithium dendrite growth. When assembled Li|LiFePO 4 full cells using HKU-5 as the separator, it exhibits excellent cycling stability and interfacial compatibility, retaining a discharge specific capacity of 151.2 mA·h·g –1 for 100 cycles at 0.5 C and RT. This study presents a promising IL@MOF-based strategy for developing next-generation electrolytes toward practical lithium metal batteries. Based on the confinement of the ionic liquid (IL) within the HKUST-1 metal–organic framework (MOF), this work successfully developed a novel gel polymer electrolyte (HKU-5), for room-temperature all-solid-state lithium metal batteries. Download: Download high-res image (253KB) Download: Download full-size image
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Clean Energy
·
2025
·Vol. 9
·期 5
·114-124
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IF 3.7
Zhang Yakun,Li Ruilong,Yong Xiaojing,Guan Chong,Zhang Yi
The effects of different promoters (including Sn, In, Ga, and K) on the activity, ethylene selectivity, and stability of the encapsulated Pt@silicalite-1 for ethane dehydrogenation were investigated. The dual-promoter catalysts, KPtIn@S-1 and KPtSn@S-1, exhibited high ethane initial conversions, high ethylene selectivity at 550°C, and high stability, with almost no deactivation during 30 hours on stream and the deactivation constants as low as 0.0003 and 0.0002 hour−1, respectively. Combining the characterization and performance evaluation results, it could be deduced that the introduction of Sn and In promoters plays an important role in diluting Pt, resulting in the reduced average Pt particle size. Moreover, the Sn introduced in KPtSn@S-1 led to the formation of a Si–O–Sn interaction structure between Sn and S-1 zeolite framework, resulting in the anchoring effects of Sn (II) on Pt sites. In the KPtIn@S-1 sample, the strong interaction between Pt and In also played a role in anchoring Pt species, which greatly reduced the formation of carbon deposition and inhibited the production of graphitic carbon deposits.
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CHEMICAL ENGINEERING JOURNAL
·
2026
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IF 12.5
Liuqing Chen,Xiuhong Meng,Huibo Qin,Xiao Ling,Zebing Bao,Zhiqiang Xie,Xinping Ouyang,Linhai Duan
The coupling of liquefied natural gas and adsorbed natural gas charging (LNG-ANG) can effectively recover boil-off gas, with the key challenge being the development of efficient and stable adsorbents under cryogenic conditions (∼159 K). HKUST-1 is regarded as a promising methane adsorbent due to its abundant microporous structure and high specific surface area. However, its practical application is largely limited by water instability. After exposure to humid air for 10 days, the pristine HKUST-1 lost 68.17% of its specific surface area and 30.77% of its methane uptake capacity. Herein, we successfully prepared a water-stability-enhanced HKUST-1-PVP composite by grafting polyvinylpyrrolidone (PVP) onto the coordinatively unsaturated metal sites of HKUST-1. Among the samples, HKUST-1-P2 maintained a high specific surface area of 1242 m 2 g −1 (a loss of only 3.27%) and essentially unchanged methane uptake capacity even after exposure to humid air for at least 70 days. Furthermore, under LNG-ANG adsorption conditions (159 K, 6 bar), the methane uptake capacity of HKUST-1-P2 reached 234 cm 3 (STP) cm −3 , which is 2.6 times that of HKUST-1. These results indicate that the PVP modification strategy significantly enhances the structural stability of HKUST-1 and further stabilizes its methane adsorption performance. Computational simulations revealed that PVP grafting onto unsaturated Cu sites creates a barrier that blocks water access, thereby effectively enhancing the material's water stability. This work not only provides a simple and effective strategy for constructing water-stable MOF adsorbents but also advances the practical application of HKUST-1 materials in LNG-ANG technology.
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Journal of Environmental Chemical Engineering
·
2026
·Vol. 14
·期 3
·122285
·
IF 7.5
Faruk Omar,Dian Ding,Zhuo Chen,Zhihua Zhao
Selective room-temperature detection of 1-octen-3-ol, a representative fungal volatile organic compound (VOC) associated with food spoilage, remains challenging due to limited adsorption–activation efficiency in conventional sensing materials. Herein, pristine Zeolitic imidazolate framework (ZIF-67) and Rhodium (Rh)-decorated ZIF-67 (Rh@ZIF-67) were developed as chemiresistive sensing materials via a mild solution-based strategy, achieving controlled Rh loadings (0.4–0.6%) while preserving the polyhedral ZIF-67 framework. The crystal structure, surface chemical states, porosity, and morphology were systematically characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Brunauer–Emmett–Teller (BET) surface area analysis, scanning electron microscopy (SEM), and transmission electron microscopy coupled with energy-dispersive X-ray spectroscopy (TEM/EDS), confirming that the ZIF-67 framework was preserved and Rh species were successfully anchored on the porous host. At room temperature (25°C), the optimized 0.5%Rh@ZIF-67 sensor exhibits a stable concentration-dependent response over 5–50 ppm, delivering a response of 2.41 at 50 ppm—approximately 15.1 times higher than pristine ZIF-67 (0.16) with response and recovery times of 90 s and 119 s, respectively. The sensor further demonstrates good selectivity, repeatability, and long-term stability over 25 days. Humidity evaluation (30–90%) Relative Humidity (RH) indicates moderate response attenuation attributed to competitive adsorption of water molecules. The enhanced sensing performance is attributed to synergistic adsorption enrichment from porous ZIF-67 combined with Rh-induced catalytic and electronic sensitization, enabling efficient resistance modulation under ambient conditions. This work provides a promising strategy for low-power, selective monitoring of spoilage-related VOC biomarkers in practical storage environments.
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Advanced Materials Interfaces
·
2026
·
IF 4.5
Chunmin Jia,Yimin Lei,Hong Xu,Xin Meng,Yuxiang Wei,Peixian Li,Xiaohua Ma,Yue Hao,Xiaohui Jia
Programmed death-1 (PD-1) is a key biomarker for monitoring therapeutic response and resistance in non-small cell lung cancer (NSCLC) immunotherapy. Achieving highly sensitive, real-time detection of PD-1 is crucial for early prediction of treatment resistance and disease recurrence. However, current methods such as ELISA suffer from limitations in sensitivity, speed, and cost. To address these challenges, we develop a label-free biosensor based on semiconducting single-walled carbon nanotube field-effect transistors (CNT-FETs). The sensing interface is designed by wrapping s-SWCNTs with poly[9-(1-octylnonyl)-9H-carbazole] (PCz), enabling immobilization of anti-PD-1 antibodies via cation-π interactions. XPS analysis confirms antibody immobilization via reversible binding energy shifts in C 1s and N 1s spectra upon salt treatment, consistent with cation-π interactions, further validated by NaCl and imidazole competition assays. Using this strategy, the sensor achieves a detection limit of 8.39 fg/mL for murine PD-1—three orders of magnitude lower than ELISA, along with good specificity and favorable regeneration capability. In human serum, it shows promising performance, with 12 out of 14 NSCLC patient samples (85.7%) exhibiting good linear correlation. With rapid response, low cost, and simple operation, this platform offers a reliable strategy for point-of-care PD-1 monitoring during NSCLC immunotherapy.
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ACS Catalysis
·
2025
·
IF 13.1
Linlong Zhang,Jingqing Tian,Ruiqiang Liu,Bing Ma,Chen Zhao
Developing synthetic strategies for high-quality metal-zeolite composites is critical for achieving advanced catalytic performances. One major challenge lies in addressing the rate mismatch between rapid metal deposition and slow zeolite crystallization, which leads to the segregation of large metal particles. Herein, we propose a universal strategy via quaternary ammonium alkali–metallic acid (QAMA) pairs for fabricating highly dispersed metal@zeolite materials with nearly 100% metal (Ru, Ir, Pd, Pt, and Zn) utilization. Using tetrapropylammonium hydroxide (TPAOH) as both a structural-directing agent and basic medium, the interaction of TPA+ with acidic metal precursors forms the “QAMA” pairs, which inhibit the precipitation of metal precursors and guide their dispersion into the 10-membered ring channels of MFI topology. Furthermore, the appropriate Si–OH groups on the silicalite-1 (S-1) seeds surface anchor the “QAMA” pairs and thus assist in the subnanometer PtZn particle dispersion. A series of PtZn@S-1 catalysts exhibited outstanding catalytic activity (14.1 molC2H4·gPt–1·h–1 at 24 h–1 weight hourly space velocity (WHSV)) and stability (Kd = 0.0004 h–1) in ethane dehydrogenation (EDH), particularly at relatively low temperature (550 °C) with pure ethane feed.
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ACS Nano
·
2025
·
IF 16
Jie Lv,Faheem Muhammad,Zheng Wang,Chenfeng Qiao,Xiang Gu,Yuan Liu,Weitong Li,Wenli Gong,Zhongyang Lv,Yuxiang Fei,Liqian Peng,Zhihao Lu,Nuo Xu,Chunqing Hu,Hanwen Zhang,Rui Wu,Xingquan Xu,Hui Wei,Ziying Sun,Dongquan Shi
Osteoarthritis (OA) is the most prevalent degenerative joint disorder, characterized by chronic inflammation, cartilage degeneration, and the formation of osteophytes, which leads to serious economic and social challenges. Previous studies have demonstrated that oxidative stress-driven inflammation plays a crucial role in the pathophysiological progression of OA. In this study, we presented defective RuO2 (d-RuO2) as an effective antioxidant for the treatment of OA. Unlike the crystalline RuO2, the amorphous hydrous RuO2 nanospheres (composed of self-assembled ultrasmall RuO2) displayed superior nanozymatic antioxidant activities. In vitro studies demonstrated that d-RuO2 significantly reduced intracellular levels of reactive oxygen species (ROS), and decreased the expression of key inflammatory markers including inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX2), tumor necrosis factor-α (TNF-α), and interleukin-1β (IL-1β), indicating its anti-inflammatory effects. In vivo experiments showed that d-RuO2 effectively relieved pain, improved physical activity, and mitigated synovitis, cartilage degeneration, and bone remodeling induced by destabilization of the medial meniscus (DMM). Furthermore, the mechanistic investigations indicated that d-RuO2 attenuated the progression of OA by suppressing the ROS/NLRP3/Caspase-1 signaling pathway. In conclusion, we presented d-RuO2 as an efficient ROS scavenger, providing a potential therapeutic strategy for OA.
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Journal for ImmunoTherapy of Cancer
·
2025
·Vol. 13
·期 6
·e012144
·
IF 10.6
Shiru Chen,Yuchong Zhao,Mengdie Cao,Wang Peng,Hai Huang,Yilei Yang,Jingwen Liang,Wei Chen,Shuya Bai,Qiaodan Zhou,Jiamei Jiang,Yilin Gu,Ronghua Wang,Bin Cheng
Background Pancreatic ductal adenocarcinoma (PDAC) is characterized by a desmoplastic and immunosuppressive tumor microenvironment (TME), limiting the efficacy of immune checkpoint inhibitors such as anti-programmed cell death 1 (PD-1). Methods This study aimed to evaluate the therapeutic potential of Y126S, a recombinant IgG1/IgG2 hybrid bispecific antibody (BsAb), in reshaping the immunotherapy-resistant TME in PDAC. Orthotopic PDAC and KPC (Kras LSL-G12D/+ ; Trp53 LSL-R172H/+ ; Pdx1-Cre) mouse models were established and treated with Y126S, α-connective tissue growth factor (CTGF), α-PD-1, or a combination of α-CTGF and α-PD-1. TME remodeling, antibody distribution, and therapeutic efficacy were assessed using flow cytometry, immunohistochemical/Masson staining, atomic force microscopy, positron emission tomography (PET) imaging, distribution analysis, and other experimental techniques. Results Here, Y126S was characterized in vitro and its antitumor efficacy was evaluated and validated in orthotopic PDAC mice and KPC mouse models. Notably, Y126S significantly remodeled the TME and demonstrated superior tumor-specific accumulation compared with single α-PD-1 treatment, leading to markedly enhanced antitumor efficacy relative to its parental antibodies or their combination. Mechanistically, Y126S suppressed cancer-associated fibroblasts (CAFs) activation, reduced collagen deposition, and downregulated programmed cell death ligand 1 (PD-L1) expression on CAFs by targeting CTGF and enhanced the anti-PD-1-mediated reinvigoration of cytotoxic CD8 + T cells, thereby establishing a less desmoplastic and potent tumor-killing microenvironment. Conclusions Our findings highlight the potential of Y126S as a promising BsAb-based immunotherapy strategy for PDAC by remodeling the desmoplastic and immunosuppressive TME.
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Frontiers in Nutrition
·
2025
·
IF 5.1
Jia Li,Lijia Li,Tahui Lin,Houtan Huang,Jie Ren,Jengyuan Yao
Background: Food-derived flavonoids are emerging as nutraceutical agents for glycemic control. Dihydromyricetin (DMY), the signature flavanonol of vine tea (Ampelopsis grossedentata), has long been consumed in South China, yet its antidiabetic potential remains underexplored.Methods: We administered DMY (50 and 100 mg/kg/day, 12 days) to streptozotocin-induced type 1 diabetic mice. Fasting glycemia, lipid panels, and HOMA-β were evaluated 4 weeks after DMY administration. Untargeted UPLC-QTOF metabolomics combined with network pharmacology pinpointed pathway hubs, while experiments in INS-1 β-cells using the PI3K inhibitor LY294002 verified the pathway’s involvement.Results: DMY reduced hyperglycemia, corrected dyslipidemia, and preserved islet architecture. Metabolomics indicated a shift toward a normal plasma profile, with the arachidonic acid, linoleic acid, and steroid hormone pathways being the most responsive. Six hub targets (PTGS2, IL6, AKT1, IL1B, BCL2, CASP3) mapped to eicosanoid signaling, apoptosis, and PI3K/AKT axis. Docking and cell assays confirmed direct binding and PI3K/AKT-dependent cytoprotection, evidenced by restored p-AKT, lowered ROS, and reduced caspase-3 cleavage.Conclusion: DMY, a readily accessible food-derived bioactive compound, reprograms lipid-inflammatory metabolism and activates PI3K/AKT to safeguard β-cell viability, highlighting its nutraceutical promise for dietary management of autoimmune diabetes.
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BIOORGANIC CHEMISTRY
·
2026
·
IF 5.1
Xueting Li,Yinghao Huang,Jiansong Zhou,Nanbin Ju,Yunda Li,Shaowei Wang,Haonan Fang,Wenwen Zheng,Ren-shan Ge,Xutong Zhang
Pyridinium quaternary ammonium disinfectants (PYRs) are cationic surfactants widely used as disinfectants, antiseptics, and preservatives since COVID-19 and their potential effects on neurosteroidogenesis remain unknown. This study explored the inhibitions of eleven PYRs (C1-C20) on human and rat 5α-reductase 1 (5α-R1), identifying carbon-chain length dependent inhibition on human enzyme, with a V-shaped pattern, increasing potency from C12 (nadir activity, IC 50 = 97.87 μM) to C16 (peak activity, 5.78 μM) and then decreases to C20 (IC 50 = 75.93 μM). Enzyme kinetics and SPR (Surface Plasmon Resonance) showed similar high binding of PYRs to human 5α-R1 (C16's KD = 5.24 μM, C18's KD = 19.4 μM). Mechanistic analysis revealed that they exerted mixed/noncompetitive inhibition via binding to the NADPH binding pocket. SAR/QSAR modeling highlighted lipophilicity (LogP), molecular weight, carbon chain length and heavy atoms as key determinants of potency. Notably, these chemicals showed stronger inhibition in human 5α-R1 than in rat, underscoring species-specific pharmacodynamics. Molecular docking confirmed interactions with critical residues in NADPH binding site. Despite exhibiting greater microsomal activity compared to C14 PYR, the efficacy of C16 PYR in intact SF126 cells was diminished relative to C14 PYR due to its limited cellular permeability. The findings provide insights into 5α-R1 inhibition and support the identification of these disinfectants as neurosteroid endocrine disrupting actions.
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WORLD JOURNAL OF GASTROENTEROLOGY
·
2026
·Vol. 32
·期 10
·115334
·
IF 7.7
Si-Wei Xia,Huan Liu,Kai-Yao Yang,Yi-Jie Gao,Meng-Ru Zhang,Jing-Wen Zhou,De-Song Kong,Hong-Yan Wu,Feng Zhang,Li Chen
BACKGROUND Reversal of hepatic fibrosis (HF) represents a potential cure for chronic liver pathologies; however, clinically approved agents targeting this process remain scarce. Emerging evidence from traditional Chinese medicine (TCM) suggests that Hedyotis diffusa (HD), a botanical agent related to TCM principles of liver pathogenesis, may exert therapeutic effects against fibrotic liver damage. Despite its historical use, the molecular mechanisms underlying its antifibrotic properties and regulatory pathways require systematic elucidation. AIM To elucidate the efficacy and potential mechanism of HD against HF and to explore potential therapeutic targets. METHODS Liquid chromatograph mass spectrometer revealed six bioactive components of HD injection (HDI) that enter the blood and liver. Network pharmacology using these components predicted related signaling pathways. A HF mouse model was induced by administration of 10% carbon tetrachloride for 8 weeks to validate the efficacy of HDI. Integrated Gene Expression Omnibus (GEO) mining and liver proteomics revealed the antifibrotic mechanism of HD, which was confirmed via target gene interference to elucidate upstream-downstream regulatory relationships. RESULTS Network pharmacology analysis suggests that HDI may ameliorate HF through the modulation of circadian rhythm, urea metabolism, and hypoxia inducible factor-1 (HIF-1) signaling. GEO data mining and hepatic proteomic profiling in a fibrotic mouse model confirmed the close associations between disease progression and dysregulation of these pathways. HDI intervention significantly restored expression of the circadian regulator NR1D1 . Further mechanistic investigations revealed NR1D1 as an upstream regulator of HIF-1 signaling, urea cycle function, and ammonia metabolism. In vitro experiments demonstrated that ammonium chloride-induced ammonia accumulation promoted LX2 cell activation, which is potentially associated with mitochondrial dysfunction. CONCLUSION HD demonstrates unequivocal efficacy in combating HF, potentially by modulating HIF-1 and the urea cycle through its influence on circadian rhythm genes, with NR1D1 as a prominent representative target.
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