Frontiers in Chemistry最新文献

[This corrects the article DOI: 10.3389/fchem.2025.1635781.].

For aqueous lithium-ion batteries (A-LIBs), the hydrogen evolution reaction (HER) poses a significant challenge, as it competes with the primary electrochemical processes of the anode, resulting in capacity loss and reduced cycling stability. In this study, we investigate the use of fluorine-based additives in anodes to mitigate HER in LIBs with aqueous electrolytes including low or high amounts of salt (water-in-salt electrolytes (WiSE)). We synthesized and incorporated three distinct materials into TiO₂(B) anodes: aluminum fluoride (AlF₃), lithium fluoride (LiF), and 1H,1H,2H, 2H-perfluorooctyltriethoxysilane (FAS) using a solution-based method. Among these fluorides containing composite anodes, FAS containing anodes delayed HER onset potentials of WiSE by 45-160 mV (1.2 m (molality) or 21 m (Lithium bis (trifluoromethanesulfonyl) imide in H₂O)) compared to the bare TiO₂ (B) anodes. Among these fluorides, FAS demonstrated the highest HER delay with the smallest amount of additives due to its hydrophobic nature. These findings underscore the effect of fluorine-based passivation layers in mitigating the HER, potentially expanding the energy density, and improving the operational stability of anodes in A-LIBs, thereby paving the way for their broader application in sustainable energy storage.

Tomato residues in the Agadir region constitute a large and under-exploited source of biomass, rich in bioactive molecules such as phenolic and flavonoid compounds. This study highlights, for the first time, the use of high-pressure-temperature reactor as an innovative and advanced extraction technology to recover phenolic acids and flavonoids from stems and leaves of tomato waste. A multivariate optimization approach was designed to assess the effect of temperature, pressure, extraction time, and solvent ratio on the extraction efficiency to determine the optimal conditions. The performance of this method was compared to conventional and emerging techniques (Soxhlet, maceration, and ultrasound-assisted extraction), while the biological activities of the extracts were evaluated via their antioxidant and enzymatic properties. The results showed a maximum extraction yield of 31.2% for stems and 53.9% for leaves under moderate conditions (25 °C, 180 min, 10 bar, 30% ethanol). The highest levels of phenolic compounds (1240.89 mg GA/g extract) and flavonoids (59.32 mg QE/g extract) were obtained at 160 °C and 10 bars, with ethanol concentrations between 70% and 100%. Pareto analysis identified temperature and solvent polarity as the key variables influencing extraction efficiency. The optimal extracts demonstrated strong antioxidant activity (up to 85% DPPH inhibition and 261.8 mg trolox/g extract in the FRAP test) as well as significant anti-elastase potential (>90% inhibition), highlighting their potential for cosmetic and nutraceutical applications. Compared to conventional and advanced techniques already available on the market, Parr reactor extraction offers superior yield, selectivity, and process efficiency. This study validates its role as an environmentally friendly and scalable alternative for the recovery of tomato processing waste within a circular bioeconomy.

Non-alcoholic fatty liver disease (NAFLD) represents a chronic liver disorder with widespread global prevalence, primarily attributed to hepatic lipid accumulation, oxidative stress, and inflammatory responses. In the realm of traditional Chinese medicine, Ganoderma lucidum is predominantly utilized for its hepatoprotective properties. The objective of this study was to isolate and identify novel bioactive compounds capable of mitigating hepatic fat accumulation. An in vitro steatosis model was established using oleic acid-induced HepG2 cells to evaluate the total triglyceride (TG) content across various components. Fractionation of the compounds was guided by the observed reduction in TG content, employing multiple chromatographic techniques to successfully isolate ten Ganoderma triterpenes. Structural elucidation was achieved through 1D and 2D NMR spectroscopy, supplemented by additional spectroscopic methods. This investigation led to the identification of two previously unreported lanostane-type triterpenes (1-2) alongside eight known analogues (3-10). Compound 1 and 2 exhibit structural distinctions from the other compounds, primarily in the substituents at positions C-3, C-7, and C-15, as well as in the spatial orientation of these substituents. In vitro experiments were conducted to assess the efficacy of various compounds in inhibiting lipid accumulation. Compound 1-5 demonstrated a significant reduction in TG levels within the OA-induced HepG2 cell model (p < 0.05). In comparison to the model group, Compound 1 demonstrated a moderate lipid-lowering effect, (2.11 mmol/gprot vs. 2.70 mmol/gprot, p < 0.003). Conversely, Compound 2 exhibited a significantly more pronounced lipid-lowering effect, (1.27 mmol/gprot vs. 2.70 mmol/gprot, p < 0.0001). Furthermore, when compared with the positive control drug, the lipid-lowering efficacy of Compound 2 was significantly superior to that of Compound 1. Furthermore, the application of network pharmacology, molecular docking, and molecular dynamics simulations elucidated the mechanism of action underlying the effects of methyl ganoderenic acid A(2).

[This corrects the article DOI: 10.3389/fchem.2025.1654478.].

Using acrylamide, methacryloyloxyethyl trimethyl ammonium chloride, and 2-acrylamido-2-methylpropanesulfonic acid as raw materials, an amphoteric ionic self-thickening acid ADAM was prepared. The viscosity changes of ADAM during the acid-rock reaction process were studied, demonstrating that the self-thickening behavior of ADAM depends on the concentration of Ca²⁺ in the solution. Specifically, the ADAM acid solution demonstrated a post-reaction viscosity increase of 110 mPa s, representing a rise of 183%. Temperature and shear resistance of the residual acid solutions were examined using the HAKKE MARS IV. After 1 hour of shear, ADAM retained viscosities of 123, 83, and 28 mPa s at 90, 120, and 150 °C, respectively. These values exceed those of the ADC system by 162%, 295%, and 211% under identical conditions. The ADAM formulation exhibits effective self-thickening capability, and its robust temperature and shear stability support its potential for large-scale application in high-temperature carbonate reservoirs.

Lung cancer ranks among the leading causes of cancer incidence and mortality worldwide. Conventional diagnostic and therapeutic approaches remain constrained by suboptimal sensitivity, exposure to ionizing radiation, and poor overall prognosis, driving efforts to develop novel diagnostic and therapeutic strategies to improve clinical outcomes. Second near-infrared window (NIR-II) fluorescence imaging offers deep tissue penetration and high spatial resolution; accordingly, a wide array of NIR-II fluorescent probes, imaging systems, and photointerventional therapies have been developed. In this review, we summarize recent advances and applications of NIR-II in lung cancer diagnosis and treatment and discuss the design and future directions of integrated diagnostic-therapeutic (theranostic) platforms.

Introduction: Plant-derived essential oils (EOs) are rich sources of bioactive compounds, some of which exhibit acetylcholinesterase (AChE) inhibitory activity and may offer therapeutic potential for the management of Alzheimer's disease (AD). This study aimed to evaluate the chemical composition and AChE inhibitory potential of essential oils extracted from Citrus paradisi (grapefruit), Lawsonia inermis (henna), and Ruta graveolens (sadab).

Methods: Essential oils were obtained by hydrodistillation and analyzed using gas chromatography-mass spectrometry (GC-MS) to identify their chemical constituents. AChE inhibitory activity was determined using Ellman's colorimetric assay, and IC₅₀ values were calculated to assess inhibitory potency.

Results: A total of 63 metabolites were identified across the three essential oils, accounting for approximately 90% of their total composition. Grapefruit EO was predominantly composed of limonene (89.94%), henna EO was rich in phytol (41.42%) and limonene (23.02%), while sadab EO was characterized by 1-hexadecanol acetate (26.39%) and phytol (20.54%). Grapefruit EO exhibited the strongest AChE inhibitory activity (IC₅₀ = 12.62 ± 0.48 μg/mL), followed by henna EO (IC₅₀ = 43.90 ± 0.97 μg/mL), whereas sadab EO showed negligible inhibition.

Discussion: The notable AChE inhibitory activity observed in grapefruit and henna essential oils is likely attributable to their high terpenoid content. These findings suggest that selected plant-derived essential oils may represent promising natural candidates for the prevention or management of neurodegenerative disorders such as Alzheimer's disease.

The current study, employing density functional theory, reports the hydrogenation of acetone to isopropyl alcohol catalyzed by CAl₃MgH₂ ^¯, which contains a planar tetracoordinate carbon (ptC). Various computational approaches are employed to analyze acetone hydrogenation using the CAl₃MgH₂ ^¯ as a potential catalyst. The reaction initiates with the carbonyl insertion into the Mg-H bond of the CAl₃MgH₂ ^¯, followed by hydrogenation using molecular hydrogen (H₂). Analysis of natural atomic charges confirms that the H₂ molecule dissociates heterolytically into a proton-hydride pair, thereby regenerating the CAl₃MgH₂ ^¯ in the product state. Intrinsic reaction coordinate calculations confirm the true connection between the reactant and product in the reaction pathway. This investigation highlights the potential of the ptC molecule as a catalyst and delineates the way for new opportunities in ptC-based catalysts.