Frontiers in Chemistry最新文献

Garcinia cambogia (Gambogic Acid, GA) is a natural xanthone compound extracted from the resin of GA fruit, renowned for its diverse biological activities and substantial therapeutic potential. GA, a principal bioactive component of Garcinia cambogia, possesses a distinctive cage-like molecular architecture centered on an α,β-unsaturated ketone moiety. This structure is not merely a chemical signature but the fundamental source of GA's broad and integrated pharmacodynamic profile. While the multi-target nature of natural products like flavonoids has been widely documented, GA's unique polycyclic caged structure confers a different mechanism of action and a broader spectrum of activity, particularly in epigenetic reprogramming and the activation of multi-modal cell death networks. This review moves beyond a mere compilation of GA's effects to provide a systematic and critical analysis of its pharmacological landscape. We deconstruct its mechanisms along three integrated dimensions: (i) a molecular-level characterization of GA-regulated signaling pathways, emphasizing its multi-target synergy; (ii) an empirical evaluation of its therapeutic efficacy across cancer and inflammatory diseases, critically appraising both promises and limitations of current evidence; and (iii) an evidence-based discussion on overcoming translational barriers, with a focal point on how innovative nanodelivery strategies are pivotal in resolving GA's pharmacokinetic challenges. By directly comparing GA with other natural products (e.g., flavonoids) in terms of structure-activity relationships and translational potential, we highlight its unique position in the natural product pharmacopeia. We conclude that the future of GA research lies in the integration of multi-omics approaches with precision drug delivery systems, a synergistic strategy that will effectively bridge the gap between its robust mechanistic underpinnings and successful clinical application.

The substantial generation of hazardous, metal-enriched biomass residues poses significant risks of secondary contamination, presenting a critical bottleneck to the broader implementation of phytoremediation that urgently requires effective treatment solutions. This study addressed this challenge by pyrolyzing Pb-enriched biomass (BM_Pb) across a temperature range (300 °C-700 °C) to produce Pb-enriched biochar (BC_Pb), evaluating its efficacy for safe residue management. The results demonstrated that pyrolysis effectively reduced the volume of BM_Pb, and the produced BC_Pb significantly enriched and immobilized Pb. Element analysis revealed distinct stabilization mechanisms: Pb₂(P₄O₁₂) and PbCO₃ precipitation dominated Pb immobilization at 400 °C, whereas Pb₃(CO₃)₂(OH)₂, Pb₂(P₄O₁₂), and NaAlSiO₄ became predominant at temperatures ≥500 °C. Sequential extraction of Pb (BCR) demonstrated a consistent decline in the more labile Pb fractions (exchangeable, F1, and reducible, F2) with increasing pyrolysis temperature, concurrent with a significant increasing in the stable fractions (oxidizable, F3, and residual, F4). Notably, the combined F1+F2 fraction decreased substantially (17% at 700 °C), while the stable F3+F4 fraction increased correspondingly (83% at 700 °C), indicating markedly reduced Pb bioavailability and ecological risk at elevated temperatures. Leaching tests confirmed that Pb release from all BC_Pb samples remained well below relevant regulatory thresholds when the pH higher than 2 (<9.98 mg·g^-1 vs. 10.0 mg·g^-1), with leaching susceptibility inversely related to pyrolysis temperature. Soil simulation experiments further indicated a conversion of bioavailable Pb (F1+F2) in BC_Pb-amended systems towards stable forms (F3+F4), confirming low ecological risk. Overall, these findings suggested that pyrolysis of BM_Pb at temperatures above 500 °C shows great promise as an effective and safe method for treating phytoremediation residues, demonstrating high stability and low ecological risk to both water and soil environments under most natural conditions, though careful management is required under extreme acidic scenarios.

Photosensitizing systems based on methylene blue (MB)-loaded calcium alginate (CaA) and alginic acid (AA) aerogels were developed for photodynamic therapy of difficult-to-heal wounds. Hybrid aerogels incorporating polyvinylpyrrolidone (PVP, 2.5-40 wt%) into CaA and AA matrices were also made. The MB release kinetics in a phosphate buffer were found to depend on the aerogel type (AA or CaA). The incorporation of PVP increased the MB release rate by 1.5-2 times. The singlet oxygen (¹O₂) generation efficiency of MB embedded in the aerogels was influenced by their porosity and chemical composition. The activity of MB in the photogeneration of ¹O₂ increased by up to four times in the PVP-containing aerogels. Furthermore, the photoactivity of MB in the hybrid aerogel matrices significantly exceeded that in the single-component alginate aerogels.

Background: Hepatocellular carcinoma (HCC) remains refractory because recurrence, drug resistance and systemic toxicity limit current therapeutics. The traditional herb pair Sophorae Flavescentis Radix-Astragali Radix (SF-AR) is reputed to counter liver disorders, but its anti-HCC potential and chemical basis have not been delineated.

Methods: Anti-tumor activity was assessed in HepG2 cells and an H22 allograft mouse model. Constituents were characterized by high-performance liquid-chromatography-quadrupole time-of-flight mass spectrometry, and bioavailable prototypes were traced in rat plasma and organs. Absorbed molecules were linked to HCC-related targets through network pharmacology, and molecular docking examined their interactions to suggest potential target engagement.

Results: SF-AR suppressed HepG2 proliferation, abolished colony formation and induced dose-dependent apoptosis without harming L02 normal hepatocytes. Oral administration reduced H22 tumor burden in a dose-responsive manner without overt toxicity under the study conditions. Ninety-five constituents were delineated, encompassing 37 flavonoids, 23 alkaloids, 12 terpenoids, and organic, amino and nucleic acids; class-specific collision-induced dissociation pathways were summarized, including RDA cleavages for isoflavonoids and diagnostic ions for matrine-type alkaloids. Following oral administration, twenty-two prototype constituents were detected in rat plasma and were preferentially distributed to liver, kidney and spleen, confirming systemic exposure. Network pharmacology associated the absorbed constituents with potential HCC-related targets, and inflammation- and survival-related pathways were implicated as potential targets; favorable binding of representative constituents to these proteins was supported by molecular docking.

Conclusion: Integrated pharmacological, chemical and computational evidence links the measurable anti-HCC efficacy of SF-AR to a bioavailable, multi-class phytochemical ensemble that converges on inflammation-driven survival pathways. SF-AR therefore emerges as a multi-target, low-toxicity therapeutic candidate that warrants further preclinical development for hepatocellular carcinoma.

[This corrects the article DOI: 10.3389/fchem.2025.1708033.].

A cooling sensation is primarily elicited by cooling agents through activation of cold-sensitive receptors such as TRPM8 and TRPA1. Coolants are widely used as functional additives in various industries including food, personal care, pharmaceuticals, and tobacco. In this study, a gas chromatography-mass spectrometry (GC-MS) method was developed to quantify three representative cooling agents-menthol, WS-3(N-ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide), and WS-23 (2-Isopropyl-N,2,3-trimethylbutyramide)-in aerosol samples. The test aerosols were generated from laboratory-formulated e-liquids under optimized conditions. Aerosols were obtained from an electronic vaping device manufactured by RELX (China). The results demonstrated that: (1) the analytical method exhibited good linearity (R ² ≥ 0.9994), with limits of detection (LOD, from 0.137 ng/mL to 0.114 μg/mL), limits of quantification (LOQ, from 0.456 ng/mL to 0.380 μg/mL), relative standard deviations (RSDs, 1.40%-4.15%), and spiked recovery rates (from 91.32% to 113.25%) all meeting the requirements of analytical validation; (2) the cooling agents were detected in both gas and particle phases of the aerosol, with the concentrations in gas-phase being significantly lower than those in the particle phase due to aerosols condensation. Specifically, the gas-phase proportions of menthol, WS-23 and WS-3 ranged from 1.94% to 5.72%, 0.03%-0.08%, and 0.10%-0.18%, respectively. Therefore, the developed GC-MS method satisfies methodological validation criteria and is suitable for application to commercial aerosol samples. It provides a reliable analytical foundation for studying sensory perception of cooling agents under aerosol exposure and offers more precise guidance for their use.

[This retracts the article DOI: 10.3389/fchem.2023.1131935.].

The present work reports the catalytic function of the planar tetracoordinate carbon (ptC) molecule, CAl₃MgH₂¯, for the first time. The hydrogenation of alkyne and alkene using CAl₃MgH₂¯ as a catalyst has been computationally examined through density functional theory calculations. Various quantum chemical tools are employed to analyze the reaction pathways systematically. The study also highlights that the reaction is favourable in the gas phase as compared to the solvent phase, suggesting the practical feasibility of using the CAl₃MgH₂ ^- catalyst in the industry. Intrinsic reaction coordinate analysis confirms that the transition states are truly connected to the local minima. Furthermore, natural atomic charges and elongated bond lengths confirm the heterolytic cleavage of H₂. Non-covalent interaction analysis illustrates the significant role of van der Waals interactions in coordinating reactants and stabilizing products. This study highlights the potential of the ptC molecule CAl₃MgH₂ ^- as a catalyst for hydrogenation reactions, eventually opening up new avenues for planar hypercoordinate and main-group metal-based catalysts.