Search Results (154)

Proton exchange membrane water electrolyzers (PEMWEs) are a promising technology for green hydrogen production. However, the adoption of PEMWE-based hydrogen production systems remains limited due to several challenges, including high material costs, limited performance and durability, and difficulties in scaling the technology. Computational modeling serves as a powerful tool to address these challenges by optimizing system design, improving material performance, and reducing overall costs, thereby accelerating the commercial rollout of PEMWE technology. Despite this, conventional models often oversimplify key components, such as porous transport and catalyst layers, by assuming constant porosity and neglecting the spatial heterogeneity found in real electrodes. This simplification can significantly impact the accuracy of performance predictions and the overall efficiency of electrolyzers. This study develops a mathematical framework for modeling variable porosity distributions—including constant, linearly graded, and stepwise profiles—and derives analytical expressions for permeability, effective diffusivity, and electrical conductivity. These functions are integrated into a three-dimensional multi-domain COMSOL simulation to assess their impact on electrochemical performance and transport behavior. The results reveal that although porosity variations have minimal effect on polarization at low voltages, they significantly influence internal pressure, species distribution, and gas evacuation at higher loads. A notable finding is that reversing stepwise porosity—placing high porosity near the membrane rather than the channel—can alleviate oxygen accumulation and improve current density. A multi-factor comparison highlights this reversed configuration as the most favorable among the tested strategies. The proposed modeling approach effectively connects porous media theory and system-level electrochemical analysis, offering a flexible platform for the future design of porous electrodes in PEMWE and other energy conversion systems. Full article

This study investigates the effects of anode and cathode inlet flow rates (ṁ) on the power performance of bipolar plates in a polymer electrolyte membrane fuel cell (PEMFC). The primary objective is to derive optimal flow rate conditions by comparatively analyzing concentration loss in the I−V curve and crossover phenomena at the anode, thereby establishing flow rates that prevent reactant depletion and water flooding. A single-cell computational model was constructed by assembling a commercial bipolar plate with a gas diffusion layer (GDL), catalyst layer (CL), and proton exchange membrane (PEM). The model simulates current density generated by electrochemical oxidation-reduction reactions. Hydrogen and oxygen were supplied at a 1:3 ratio under five proportional flow rate conditions: hydrogen (${\dot{m}}_{H_2}$ = 0.76–3.77 LPM) and oxygen (${\dot{m}}_{O_2}$ = 2.39–11.94 LPM). The Butler–Volmer equation was employed to model voltage drop due to overpotential, while numerical simulations incorporated contact resistivity, surface permeability, and porous media properties. Simulation results demonstrated a 24.40% increase in current density when raising ${\dot{m}}_{H_2}$ from 2.26 to 3.02 LPM and ${\dot{m}}_{O_2}$ from 7.17 to 9.56 LPM. Further increases to ${\dot{m}}_{H_2}$ = 3.77 LPM and ${\dot{m}}_{O_2}$ = 11.94 LPM yielded a 10.20% improvement, indicating that performance enhancements diminish beyond a critical threshold. Conversely, lower flow rates (${\dot{m}}_{H_2}$ = 0.76 and 1.5 LPM, ${\dot{m}}_{O_2}$ = 2.39 and 4.67 LPM) induced hydrogen-depleted regions, triggering crossover phenomena that exacerbated anode contamination and localized flooding. Full article

The proton exchange membrane electrolyzer (PEMWE) has been regarded as a promising technology for converting surplus intermittent renewable energy into green hydrogen through electrochemical water splitting. However, the multiphase mass and charge transport processes with countercurrent flow within the PEMWE create complex structure–property relationships that are difficult to optimize. The interdependent effects of multiple structural parameters on the coupled heat transfer, mass transfer, and charge transfer processes further obscure performance optimization mechanisms. To decouple these phenomena and elucidate the underlying mechanisms, a multiphase one-dimensional mathematical model was developed and experimentally validated. Based on the model, the mass transfer, charge conduction, and heat transfer processes inside the PEMWE have been systematically investigated, with a particular focus on the performance-related parameters of the porous transport layer (PTL). The results reveal that PTL thickness and porosity exhibit opposite effects on activation and ohmic overpotential at an elevated current density. Furthermore, a sharp performance decline occurs when PTL gas permeability falls below the critical threshold. These findings provide quantitative guidelines for multiphysics-informed component optimization in high-performance PEMWEs. Full article

Industrial wastewater poses a significant environmental challenge due to its harmful effects. The development of sustainable membrane processes for water treatment and the environmentally friendly production of polymer membranes is one of the major challenges of our time. An alternative approach is to prepare polyelectrolyte complex (PEC) membranes using the aqueous phase separation (APS) method without the use of toxic solvents. In this work, PEC nanofiltration membranes of poly(sodium-p-styrenesulfonate) (PSS)/polyethylenimine (PEI) modified with carbon nanoparticles (graphene oxide, polyhydroxylated fullerene (HF), multi-walled carbon nanotubes) were developed for enhanced water treatment from anionic food dyes and heavy metal ions. The effect of varying the PSS/PEI monomer ratio, carbon nanoparticles, the content of the optimal HF modifier, and the cross-linking agent on the membrane properties was studied in detail. The changes in the structure and physicochemical properties of the PEC-based membranes were investigated using spectroscopic, microscopic, thermogravimetric analysis methods, and contact angle measurements. The PSS and PEI interactions during PEC formation and the effect of PEI protonation on membrane properties were investigated using computational methods. The optimal cross-linked PEC/HF(1%) (1:1.75 PSS/PEI) membrane had more than 2 times higher permeability compared to the pristine PEC membrane, with dye and heavy metal ion rejection of 99.99 and >97%, respectively. Full article

Background: KRAS-G12D mutations drive 20–50% of pancreatic/biliary cancers yet remain challenging to target due to GTP-pocket conservation and high cellular GTP levels. While allosteric inhibitors targeting the SWII pocket (e.g., MRTX1133) show promise, limited chemical diversity and paradoxical cellular/enzymatic activity relationships necessitate the exploration of novel scaffolds. This study aims to develop KRAS-G12D inhibitors and PROTACs to offer a selection of new chemical entities through systematic structure–activity optimization and evaluate their therapeutic potential through PROTAC derivatization. Methods: Eleven compounds featuring heterocyclic cores (pyrimidine/pyrido[4,3-d]pyrimidine/5,6,7,8-tetrahydroprodo[3,4-d]pyrimidine) were designed via structure-based drug design. Antiproliferative activity against KRAS-G12D (Panc1), KRAS-G13D (HCT116) and wild-type (A549) cells was assessed using the CCK-8 assay. KRAS-G12D enzymatic inhibition was measured using a GTPase activity assay. Molecular docking simulations (Sybyl 2.0; PDB:7RPZ) elucidated binding modes. Two PROTACs were synthesized from lead compounds by conjugating E3 ligase linkers. All the novel inhibitors and PROTACs were characterized by means of NMR or HRMS. Results: Compound 10c demonstrated selective anti-proliferation in Panc1 cells (IC₅₀ = 1.40 μM) with 4.9-fold greater selectivity over wild-type cells, despite weak enzymatic inhibition (IC₅₀ > 10 μM). Docking revealed critical hydrogen bonds between its protonated 3,8-diazabicyclo[3.2.1]octane moiety and Asp12/Gly60. The enzymatic inhibitor 10k showed potent KRAS-G12D inhibition (IC₅₀ = 0.009 μM) through homopiperazine-mediated interactions with Glu92/His95. Derived PROTACs 26a/b exhibited reduced potency (IC₅₀ = 3–5 μM vs. parental 10k: 2.22 μM), potentially due to impaired membrane permeability. Conclusions: Eleven novel KRAS-G12D inhibitors with a seven-membered ring pharmacophore were synthesized. Compound 10c showed strong anti-proliferative activity, while 10k exhibited potent enzymatic inhibition. Two PROTACs were designed but showed no clear advantage over 10k. This study provides valuable insights for KRAS-targeted drug development. Full article

Based on the COMSOL simulation software (v.6.1), this paper systematically investigates the influence law of runner length on the velocity and pressure distribution of cathode and anode gas runners in proton exchange membrane fuel cells (PEMFCs), and experimentally verifies the measurement effect of thin-film thermocouples on the operating temperature of PEMFCs. The simulation results show that the maximum pressure of the cathode and anode increases nonlinearly with the increase in the runner length, while the velocity distribution remains stable; the shortening of the runners significantly reduces the friction loss along the flow path and optimizes the matching of the permeability of the porous medium. In addition, the NiCr/NiSi thin-film thermocouple prepared by magnetron sputtering exhibits high accuracy (Seebeck coefficient of 41.56 μV/°C) in static calibration and successfully captures the dynamic response characteristics of temperature in PEMFC operation. This study provides a theoretical basis and experimental support for the optimization of fuel cell flow channel design and temperature monitoring technology. Full article

Helicobacter pylori is a Gram-negative bacterium from the Epsilonproteobacteria class, associated with various gastric diseases, including gastric cancer. It infects both adults and children, with a high prevalence in developing countries due to poor health conditions. The International Agency for Research on Cancer has classified H. pylori as a class I carcinogen, linked not only to gastric cancer but also to neurological disorders. Current treatment involves proton pump inhibitors combined with antibiotics for 10 to 14 days, but patient non-compliance can lead to increased antibiotic resistance. This review examines studies from the past decade that explore flavonoids as potential future treatments for H. pylori. Flavonoids like kaempferol, rutin, quercetin, myricetin, catechin, epicatechin, eupatilin, chrysin, apigenin, and hesperetin have been shown to regulate the expression of key H. pylori genes, alter cell membrane permeability, and affect proton efflux. These biomolecules, found in various plants, have demonstrated the potential to inhibit H. pylori, even in resistant strains. Gene expression and molecular docking studies reveal how these flavonoids interact with the membrane, bacterial genes, and proteins, affecting host cell transcription, translation, and bacterial adherence. While promising, clinical trials are needed to better understand their mechanisms and efficacy. Full article

The efficiency of an electrolyzer is significantly influenced by mass, heat, and charge transport within its porous transport layer (PTL). The infeasibility of measuring them in-situ makes it challenging to study their influence experimentally, leading to the adoption of various modeling approaches. This study applies pore network (PN) modeling to investigate mass transport properties and capillary invasion behavior in three commercial titanium felt PTLs commonly used in proton exchange membrane water electrolyzers (PEMWEs). One PTL has a graded structure. Reconstructed PNs were derived from microcomputed X-ray tomography (µ-CT) data, allowing for a detailed analysis of pore size distributions, absolute and relative permeabilities, capillary pressure curves, and residual liquid saturations. The results from the PN approach are compared to literature correlations. The absolute permeability of all PTLs is between 1.1 × 10⁻¹⁰ m² and 1.5 × 10⁻¹⁰ m², with good agreement between PNM results and predictions from the Jackson and James model and the Tomadakis and Sotirchos model, the two latter involving the fiber diameter as a model parameter. The graded PTL, with fiber diameters varying between 25 µm and 40 µm, showed the best agreement with literature correlations. However, the capillary pressure curves exhibited significant deviations from the Leverett and Brooks–Corey equations at low and high liquid saturations, emphasizing the limitations of these correlations. In addition, residual liquid saturation varied strongly with PTL structure. The thicker PTL with a slightly narrower pore size distribution, demonstrated a lower residual liquid saturation (19%) and a more homogeneous invasion compared to the graded PTL (64%), which exhibited significant gas fingering. The results suggest that higher gas saturation could enhance gas removal, with much higher relative permeabilities, despite the greater PTL thickness. In contrast, the graded PTL achieves the highest relative liquid permeability (~70%) while maintaining a relative gas permeability of ~30%. These findings highlight the impact of microstructure on invasion and transport properties and suggest PN modeling as a powerful tool for their study. Full article

Tissue acidification resulting from dysregulated cellular bioenergetics accompanies various inflammatory states. GPR68, along with other members of proton-sensing G protein-coupled receptors, responds to extracellular acidification and has been implicated in chronic inflammation-related diseases such as ischemia, cancer, and colitis. The present study examined the role of extracellular acidification on human pulmonary endothelial cell (EC) permeability and inflammatory status per se and investigated potential synergistic effects of acidosis on endothelial dysfunction caused by bacterial lipopolysaccharide (LPS, Klebsiella pneumoniae). Results showed that medium acidification to pH 6.5 caused a delayed increase in EC permeability illustrated by a decrease in transendothelial electrical resistance and loss of continuous VE-cadherin immunostaining at cell junctions. Likewise, acidic pH induced endothelial inflammation reflected by increased mRNA and protein expression of EC adhesion molecules VCAM-1 and ICAM-1, upregulated mRNA transcripts of tumor necrosis factor-α, IL-6, IL-8, IL-1β, and CXCL5, and increased secretion of ICAM-1, IL-6, and IL-8 in culture medium monitored by ELISA. Among the GPCRs tested, acidic pH selectively increased mRNA and protein expression of GPR68, and only the GPR68-specific small molecule inhibitor OGM-8345 rescued acidosis-induced endothelial permeability and inflammation. Furthermore, acidic pH exacerbated LPS-induced endothelial permeability and inflammatory response in cultured lung macrovascular as well as microvascular endothelial cells. These effects were suppressed by OGM-8345 in both EC types. Altogether, these results suggest that GPR68 is a critical mediator of acidic pH-induced dysfunction of human pulmonary vascular endothelial cells and mediates the augmenting effect of tissue acidification on LPS-induced endothelial cell injury. Full article

The urgent need for sustainable, low-emission energy solutions has positioned proton exchange membrane fuel cells (PEMFCs) as a promising technology in clean energy conversion. Polysulfone (PSF) membranes with incorporated ionic liquid (IL) and hydrophobic polydimethylsiloxane-functionalized silica (SiO₂-PDMS) were developed and characterized for their potential application in PEMFCs. Using a phase inversion method, membranes with various combinations of PSFs, SiO₂-PDMS, and 1-butyl-3-methylimidazolium triflate (BMI.TfO) (1–10 wt%) were prepared and characterized to assess their morphology, porosity, wettability, ionic conductivity, and thermal stability. Incorporating IL significantly altered the membrane structure, increasing porosity and surface roughness, while SiO₂-PDMS enhanced IL retention, reducing leakage by up to 32%. Proton conductivity increased by up to 30 times compared to pure PSF, and membranes exhibited high hydrophilicity at optimal IL concentrations. This work highlights the potential of IL and silica-based membranes for practical applications in PEMFCs. Full article

Nonsteroidal anti-inflammatory drugs (NSAIDs) can induce serious adverse effects in gastrointestinal (GI) mucosa, increasing intestinal permeability and leading to mitochondrial dysfunction, oxidative stress, apoptosis and inflammation. As proton pump inhibitors are effective in protecting against NSAID-induced gastropathy but not NSAID-induced enteropathy, current research is focused on natural products as protective substances for therapy and prevention of intestinal injury. Herein, through the use of an in vitro model based on intestinal epithelial cell (Caco-2) damage caused by indomethacin (INDO), we examined the protective activity of a commercially available standardized extract (OFI+OE) from Opuntia ficus-indica (L.) Mill. cladodes and Olea europaea L. leaves. Pre-treatment with OFI+OE prevented INDO-induced intestinal epithelial barrier damage, as demonstrated by TEER measurement, fluorescein permeability, and tight junction protein expression. The extract showed positive effects against INDO-induced oxidative stress and correlated activation of apoptosis, decreasing pro-apoptotic markers BAX and Caspase-3 and increasing anti-apoptotic factor Bcl-2. Moreover, the extract inhibited the NF-κB pathway and pro-inflammatory cascade. In conclusion, these data support the use of OFI+OE extract as a natural strategy for therapy and prevention of intestinal mucosal damage, demonstrating its beneficial effects against INDO-induced intestinal damage, through modulation of oxidative, apoptotic, and inflammatory pathways. Full article

To investigate efficient operating conditions for bipolar membrane electrodialysis (BMED), a comparison of current efficiency (CE) and power intensity (PI) was conducted using different anion-exchange membranes (AEMs) and salt solutions (NaCl and Na₂SO₄) as feed solutions in BMED. The results indicated that CE was higher and PI was lower for a commercial proton-blocking AEM (ACM) than for a standard AEM (ASE) when NaCl was used. This is because ASE has a higher water content than ACM, leading to greater H⁺ permeability, which reduces CE. Conversely, when Na₂SO₄ was used, ASE exhibited higher CE and lower cell voltage (CV) than ACM, resulting in lower PI for ASE. This is attributable to the fact that, with Na₂SO₄, the effect of CV was more significant than H⁺ permeability. These findings suggest that efficient operation can be achieved by selecting the appropriate combination of AEMs and salt solutions. Full article

Hydrogen production through electrolysis using renewable resources is highly promising for reducing greenhouse gas emissions. While significant efforts have focused on developing more efficient and cost-effective catalysts to lower hydrogen production costs, catalysts are not the primary expense in electrolyzer fabrication. In the case of Proton Exchange Membrane Water Electrolyzers (PEMWEs), other components—such as the proton membrane, gas diffusion layer (GDL), and bipolar plates—contribute more to overall costs. To explore this, a study was conducted on the performance of PEMWEs with various carbon paper GDLs, developed in the lab, on the cathodic side. This study examined how properties like electrical conductivity, porosity, and gas permeability affect performance. These findings emphasize the need to optimize components beyond catalysts to improve the cost-effectiveness of hydrogen production through electrolysis. Full article

This review discusses the progress of research on sulfonated poly(ether ether ketone) (SPEEK) and its composite membranes in proton exchange membrane fuel cells (PEMFCs). SPEEK is a promising material for replacing traditional perfluorosulfonic acid membranes due to its excellent thermal stability, mechanical property, and tunable proton conductivity. By adjusting the degree of sulfonation (DS) of SPEEK, the hydrophilicity and proton conductivity of the membrane can be controlled, while also balancing its mechanical, thermal, and chemical stability. Researchers have developed various composite membranes by combining SPEEK with a range of organic and inorganic materials, such as polybenzimidazole (PBI), fluoropolymers, and silica, to enhance the mechanical, chemical, and thermal stability of the membranes, while reducing fuel permeability and improving the overall performance of the fuel cell. Despite the significant potential of SPEEK and its composite membranes in PEMFCs, there are still challenges and room for improvement, including proton conductivity, chemical stability, cost-effectiveness, and environmental impact assessments. Full article

High-oxygen-permeability ionomers (HOPIs) are being actively developed to enhance the performance and durability of high-power polymer electrolyte membrane fuel cells (PEMFCs). While methods for evaluating binder performance are well-established, techniques for assessing binder durability and measuring its degradation in situ during the AST process remain limited. This study examines the distribution of relaxation times (DRT) and Warburg-like response (WLR) methods as in situ analysis techniques during the catalyst-accelerated stress test (AST) process. We conducted catalyst-ASTs (0.6–0.95 V cycling) for 20,000 cycles, monitoring changes using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and linear sweep voltammetry (LSV). Contrary to expectations, during the catalyst-AST, the ion transport resistance of the binder decreased, indicating no binder degradation. Scanning electron microscopy/energy dispersive spectrometer (SEM/EDS) analysis revealed that the degradation rate of the catalyst and the support was relatively higher than that of the binder, leading to a reduction in catalyst layer thickness and improved binder network formation. By applying the DRT method during the catalyst-AST process, we were able to measure the increase in oxygen reduction reaction (ORR) resistance and the decrease in proton transport resistance in situ. This allowed for the real-time detection of the reduction in catalyst layer thickness and improvements in ionomer networks due to catalyst and support degradation. These findings provide new insights into the complex interplay between catalyst degradation and binder performance, contributing to the development of more durable PEMFC components. Full article