Search Results (548)

Lonicera japonica Flos (LJF) is widely used in pharmaceuticals and functional foods, with its bioactive constituents significantly influenced by processing methods. This study characterized the dynamic changes in chemical components in LJF under different maceration and decoction durations. Using UPLC-Q-TOF-MS and molecular networking, a total of 260 metabolites were unambiguously identified or tentatively characterized, including 66 iridoids, 42 flavonoids and 49 phenolic acids. Among these, 11 phenolic acids and 3 flavonoids were absent in the macerated samples. Twenty-two representative compounds were quantified using calibration curves. Most secondary metabolites, particularly phenolic acids, exhibited lower levels in the macerated samples than the decocted samples (e.g., 5-O-caffeoylquinic acid: 65.67–106.41 μg/g during maceration vs. 32,783.05–55,754.68 μg/g during decoction). The decoction process significantly enhances the extraction of active constituents. Notably, certain iridoids (e.g., 7-O-methyl morroniside: 92.91–354.59 μg/g during maceration vs. 50.43–171.40 μg/g during decoction) were better preserved under maceration, highlighting its advantage for retaining heat-sensitive bioactive components. During the decoction process, 5-hydroxycinnamoylquinic acids tended to transform into 3- and 4-hydroxycinnamoylquinic acid isomers. Most di-hydroxycinnamoylquinic acids and flavonoids significantly decreased after 30 min. Nitrogen-containing seco-iridoids declined rapidly after 15 min. To balance extraction efficiency with the preservation of heat-sensitive bioactive components, a decoction time of 15–30 min is recommended. The study systematically elucidates the dynamic changes in bioactive components under two preparation methods, offering critical insights and a scientific foundation for the precision utilization of LJF in pharmaceutical and functional food industries. Full article

Xinhui Citri Reticulatae Pericarpium (CRP, “Chenpi”) is highly valued but is frequently challenged by origin-related adulteration and mislabeling. In this study, a rapid fingerprinting strategy based on direct analysis in real-time quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) coupled with chemometric analysis was developed for the geographical characterization of CRP. DART-QTOF-MS enabled fast acquisition of mass spectral fingerprints with minimal sample preparation, and characteristic compounds were tentatively assigned on the basis of accurate mass and library matching. Comparative analysis showed that the high-mass region was dominated by polymethoxylated flavones and exhibited relatively limited between-region variation. In contrast, the low-mass region contained more evident origin-related differences and provided more informative variables for classification. Among the low-molecular-weight compounds, methyl N-methylanthranilate was markedly enriched in Xinhui samples, and 2-indolinone was identified as a promising candidate marker and further confirmed in CRP extracts by UPLC–MS/MS. OPLS-DA based on selected low-molecular-weight markers supported the discrimination of core Xinhui CRP and non-core Xinhui CRP. Overall, these results demonstrate the potential of DART-QTOF-MS as a screening tool for CRP origin authentication and highlight the value of low-molecular-weight markers for future quality-control applications. Full article

Peptaibols, predominantly secreted by Trichoderma species, are a class of linear peptides composed of five to twenty amino acid residues, synthesized non-ribosomally and enriched with α-amino isobutyric acid. These unique peptides appear to be highly effective in mediating the interactions between Trichoderma and plant pathogenic fungi. In this study, Ultra-Performance Liquid Chromatography–Quadrupole Time-Of-Flight Mass Spectrometry/Mass Spectrometry (UPLC-QTOF-MS/MS) technology was used to detect peptaibols profiles of Trichoderma strains during their interactions with the pathogen Fusarium graminearum. MS investigations of crude extracts derived from in vitro confrontations of Trichoderma atroviride T23 and its genetically modified counterparts, dual-culture assays of Mlae1, Mvel1, OElae1, and OEvel1 with F. graminearum were performed to shed light on the regulatory role of the velvet complex composed of LAE1&VEL1 in the synthesis of peptaibols during the microbial interaction. These results revealed intriguing variations in the total peptaibols produced during the interactions, as well as some differences in the specific peptaibol profiles between the confrontation and control tests. The overexpression strains, OElae1 and OEvel1, distinguished themselves by their proficiency in inducing long-residue peptaibols synthesis, attaining an impressive biocontrol index of up to 76%. The crude extracts containing peptaibols of OElae1 and OEvel1 demonstrated a capability to enhance cell membrane permeability and decrease DON toxin production in F. graminearum, and the crude extracts of OElae1 strains exhibited more effectiveness in reducing DON toxin production. In conclusion, the interaction with F. graminearum significantly impacted the peptaibol production in the examined Trichoderma strain, emphasizing the intricate interplay and reciprocal influence of genetic factors and environmental stimuli. Full article

This study aims to achieve the efficient preparation of sunflower calathide flavonoids (SCF) through optimized processes and to elucidate their composition and bioactivity. Total flavonoids were prepared by optimizing the ultra-high-pressure extraction (UHPE) process using a combination of single-factor experiments and response surface methodology, followed by purification and enrichment via macroporous resin. The components were identified with UPLC-QTOF-MS/MS technology, and their antioxidant activity and inhibitory capacity against xanthine oxidase (XOD) were systematically evaluated. The optimal extraction conditions were determined as follows: an extraction pressure of 290 MPa, a holding time of 8 min, an ethanol concentration of 67%, and a solid-to-liquid ratio of 1:14 g/mL. Under these conditions, the total flavonoid extraction yield reached 13.52 mg/g, which was further enriched to 16.74 mg/g after purification by macroporous resin. A total of 32 flavonoid compounds were identified, and the purified extract exhibited stronger free radical scavenging ability, total reducing power, ferric ion reducing activity, and XOD inhibitory effect compared to the unpurified extract. The combination of UHPE with macroporous resin separation technology effectively enriches SCF, and the resulting extract possesses both antioxidant and xanthine oxidase inhibitory activities, providing a theoretical basis and technical support for its industrial production and application. Full article

Background/Objectives: Ulcerative colitis (UC) involves inflammatory response, oxidative stress, changes in metabolites, and the gut microbiota. Jingangteng capsule (JGTC) has been utilized clinically for the treatment of inflammatory diseases for many years. However, the efficacy of JGTC in ameliorating UC remains unclear, and the underlying mechanisms have not yet been elucidated. This study aims to investigate the effect and mechanism of JGTC on UC. Methods: The chemical compositions of JGTC were examined using ultra-high-performance liquid chromatography with quadrupole time-of-fight mass spectrometry. The anti-UC effect of JGTC was evaluated by assessing the disease activity index (DAI), colon length, intestinal barrier recovery, and inflammatory factors in a dextran sulfate sodium (DSS)-induced colitis model. Mechanisms were investigated through fecal 16S rDNA sequencing, metabolomics analysis, enzyme-linked immunosorbent assay (ELISA), Western blotting, and network pharmacology analysis. Results: JGTC significantly reduced the DAI scores in UC mice, increased their body weight and colon length (p < 0.001), repairing damaged intestinal tissue. It decreased the levels of inflammatory cytokines TNF-α, IL-6, IL-1β, and LPS (p < 0.01, p < 0.001), alleviating intestinal inflammation. It also raised the expression of tight junction proteins ZO-1, Claudin-1, and Occludin (p < 0.05, p < 0.001), thereby enhancing intestinal barrier function. Fecal metabolomic analysis revealed that the favorable alterations in amino acid and lipid metabolites were more pronounced. Heat maps showed strong correlations between pharmacological indicators and gut microbiota, as well as between the main differential metabolites and gut microbial communities. UPLC-QTOF-MS detection yielded 33 components of JGTC, and network pharmacology analysis based on these components predicted pathways of action of JGTC in UC. Functional pathways closely associated with significantly differential metabolites and metabolic pathways were also investigated. The PI3K-AKT-mTOR pathway was one of them, which is consistent with the conclusions drawn from network pharmacology. JGTC significantly modulated key factors in this pathway, inhibiting the expression of PI3K, Akt, PDK1, and mTOR, while augmenting the expression of PTEN (p < 0.05, p < 0.01, p < 0.001). It also mitigated the levels of related oxidative stress factors MDA, MPO, and D-LA, and raised SOD levels (p < 0.01, p < 0.001). Conclusions: JGTC improved the excessive inflammatory response in UC by regulating intestinal flora and metabolic disorders, affecting the PI3K-AKT-mTOR signaling pathway, restoring intestinal tissue damage and intestinal barrier, and inhibiting inflammatory and oxidative stress factors. Full article

Extra virgin olive oil (EVOO) is a key component of the Mediterranean diet, valued for its bioactive constituents and associated health benefits. This study evaluated the influence of four agronomic and processing factors—harvest month, destoning, fruit washing, and bottling delay—on the chemical composition of Kolovi EVOOs from the PGI Lesvos region. A total of 34 oils were produced under standardized conditions and analyzed for phenolic compounds, tocopherols, pigments, and squalene using UPLC-QTOF-MS and HPLC-DAD. The oils were characterized by consistently high nutritional quality, with most samples fulfilling EFSA health claim thresholds for hydroxytyrosol, tyrosol and its derivatives, and α-tocopherol. Harvest month was the most influential parameter: early harvested oils (October) contained significantly higher levels of phenolics, α-tocopherol, and lutein, whereas later harvests (November) were richer in squalene. Destoning produced modest changes, with slightly higher phenolics in non-destoned oils and reduced lipophilic antioxidants in destoned samples. Fruit washing selectively decreased hydrophilic phenolics, while lipophilic compounds were largely unaffected. Bottling delays of up to 48 h under protective conditions had negligible effects on composition, aside from minor increases in specific phenolic derivatives. These findings suggest that early harvesting and careful consideration of destoning are the most effective strategies for supporting the antioxidant profile of Kolovi EVOOs, while other practices can be adjusted with limited impact on quality. Full article

Aim: This study investigates how Buyang Huanwu Decoction (BHD) protects against cerebral ischemic damage by targeting the NLRP3/Caspase-1 pathway. Methods: The fingerprint of BHD was analyzed by HPLC-UV. Migratory chemicals in BHD-containing cerebrospinal fluid (BHD-CCSF) were analyzed by ultra-performance liquid chromatography-quadrupole-time of flight-mass spectrometry (UPLC-Q-TOF-MS). The effects of BHD on the NLRP3/Caspase-1 pathway, IL-18 and IL-1β levels in oxygen and glucose deprivation/reperfusion (OGD/R) cells were assessed by Western blot and ELISA. Cerebral infarction severity in permanent middle cerebral artery occlusion (pMCAO) mice was assessed by mNSS scores and staining. Protein and mRNA levels of the NLRP3/Caspase-1 pathway and inflammatory factors (IL-18, IL-1β) were measured. Results: BHD-containing serum (BHD-CS), BHD-CCSF, and Calycosin (Cal) reduced NLRP3, Caspase-1, ASC, GSDMD proteins, IL-18 and IL-1β in OGD/R cells. In pMCAO mice, BHD decreased pathway-related proteins and mRNA and inflammatory factors and alleviated brain injury. Conclusions: BHD ameliorates cerebral ischemia by inhibiting the NLRP3/Caspase-1 pathway, thereby suppressing pyroptosis and inflammation. Full article

The fruit of Aronia melanocarpa (Michx.) Elliott is a berry with multiple properties and was included as a new raw food material by the National Health Commission of China (NHC) in September 2018. This study focused on the immune regulatory properties and underlying mechanism of polysaccharides extracted from Aronia melanocarpa fruit (AMFP) by undertaking an integrated analysis of multiple endogenous metabolic pathways. An improvement in AMFP in immunosuppressed model mice at three levels of immune organs, immune cells, and immune factors was determined. The immunomodulatory role of AMFP was assessed through measurement of metabolomic and lipidomic profilings by UPLC-Q-TOF/MS. A total of 53 differential endogenous metabolites in the urinary, serum, and lipid metabolomics were identified, followed by KEGG pathway enrichment. Furthermore, the underlying mechanisms were elucidated by an integrated analysis of multiple metabolomics and lipidomics. Primarily, we found regulation of immune-related metabolic pathways, including nicotinate and nicotinamide metabolism, sphingolipid metabolism, glycerophospholipid metabolism, purine metabolism, steroid hormone biosynthesis, and arachidonic acid metabolism. The results also demonstrated the mutual validation of key pathways and mechanisms. AMFP potentiated both humoral and cellular immunity responses and protected the immune system from oxidative damage. This research provides a reference and a basis for the development and application of AMFP in the field of health foods that regulate immunity. Full article

Raspberry (Rubus idaeus L.) fruits have been widely used due to their abundance of diverse polyphenolic compounds, whereas research on the chemical composition and bioactivity of their stems and leaves remains limited. In this study, the ethyl acetate extract of raspberry stems and leaves was evaluated for inhibitory activity against α-glucosidase and α-amylase. Guided by affinity ultrafiltration–mass spectrometry, 16 potential active components were further isolated and characterized. Among these, 13 compounds exhibited binding affinity for α-amylase, while 5 compounds showed binding affinity for α-glucosidase. Quercetin-3-O-β-D-glucoside-7-O-β-D-gentiobioside was isolated from raspberry stems and leaves for the first time. Procyanidin C₃ and quercetin exhibited significant inhibitory effects on the two enzymes. Molecular docking studies hinted at the interactions between these compounds and the key active sites of the two enzymes. These findings suggest that phenolic compounds in raspberry stems and leaves may possess potential as α-glucosidase and α-amylase inhibitors, providing a scientific basis for further research on their application as functional components for blood glucose control. Full article

Background/Objectives: Herbal formulas are unsuitable for routine dietary use. This study evaluates Qige Pipa Decoction (QPD), a food–medicine homologous formula containing edible components, comparing its anti-diabetic effects with the classic Gegen Qinlian Decoction (GQD) to explore its potential as a sustainable dietary intervention for T2DM. Methods: T2DM mice received QPD, GQD, or metformin for 6 weeks. Parameters included glycemic control, histopathology, gut microbiota (16S rRNA), serum metabolomics, liver transcriptomics, and chemical profiling (UPLC-Q-TOF-MS). Results: Both formulas comparably improved glycemia and insulin resistance. QPD uniquely enriched beneficial gut bacteria (e.g., Roseburia) and suppressed pro-inflammatory taxa. Metabolomics revealed decreased Carnitine C20:1 and increased phospholipids in the QPD group. Transcriptomics showed QPD enriched the AGE-RAGE signaling pathway. Chemically, QPD showed relatively higher signal intensities for glycosides and organic acids, while GQD showed relatively higher signal intensities for alkaloids. Conclusions: QPD exhibits anti-diabetic efficacy similar to GQD but through distinct regulatory mechanisms. Its food-medicine homologous composition provides a theoretical rationale for its exploration as a sustained dietary adjunct. However, the absence of safety biomarkers in this study precludes definitive conclusions regarding long-term tolerability, necessitating dedicated toxicological assessment in future trials. Full article

Dandelion, a herb with medicinal and nutritional properties, was studied for the stability and neuroprotective effects of polyphenols from its flowers, roots, and leaves during in vitro simulated digestion. Using UPLC-QTOF-ESI-MS/MS, 84 phenolic metabolites were identified, with flavonoids being most abundant in flowers and phenolic acids in leaves and roots. In vitro neuroprotection assays revealed that leaf polyphenols exhibited the highest inhibition rates against acetylcholinesterase and lipoxygenase, while flower polyphenols showed the strongest scavenging activity against reactive nitrogen species. After simulated digestion, total phenol and flavonoid contents increased significantly. Notably, polyphenols from all dandelion parts demonstrated the strongest inhibition of acetylcholinesterase during the oral phase, while the small intestine phase showed the greatest inhibition of lipoxygenase and reactive nitrogen species. Moreover, leaf polyphenols maintained the highest inhibitory effect on acetylcholinesterase throughout all digestive stages, suggesting that dandelion leaves are a promising functional food for preventing neurodegenerative diseases. Full article

Wuweiganlu (WGL) is a traditional formulation widely applied in the treatment of rheumatoid arthritis (RA), yet the identity of its bioactive constituents remains inadequately defined. In this study, ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and untargeted serum metabolomics were employed to characterize the active components of WGL. Fraxin was identified as a principal compound from WGL. To investigate its therapeutic mechanism in RA, a series of in silico and experimental approaches were conducted. Network pharmacology analysis and RNA sequencing identified heat shock protein family member 8 (HSPA8) as a potential molecular target of Fraxin, which was further validated by molecular docking studies. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses indicated that Fraxin exerts its effects primarily by modulating cell apoptosis through the PI3K signaling pathway. In vitro experiments demonstrated that Fraxin significantly reduced inflammatory responses and downregulated HSPA8 expression in lipopolysaccharide (LPS)-stimulated fibroblast-like synoviocytes (FLs) and macrophages. In vivo, Fraxin administration markedly reduced paw swelling, alleviated bone deformities, and improved bone volume fraction (BV/TV) in male IL1RA-deficient mice exhibiting spontaneous arthritis. Histological analysis confirmed that Fraxin attenuated joint inflammation by modulating the inflammatory microenvironment. Additionally, Fraxin inhibited synovial hyperplasia by regulating mitochondrial membrane potential collapse in FLs. Functional assays revealed that this regulation occurred via the inhibition of HSPA8/PI3K/AKT signaling axis, thereby suppressing aberrant FLS proliferation and contributing to the attenuation of RA progression. Full article

Methyl jasmonate (MeJA) is a defence-related phytohormone that triggers metabolic reprogramming in grapevines and modulates pathways associated with stress responses and secondary metabolism. However, the temporal organisation of leaf metabolic responses following MeJA elicitation remains insufficiently characterised. In this study, an untargeted metabolomic approach based on UPLC-QTOF-MS was applied to investigate the time-resolved metabolic response of Vitis vinifera L. cv. Tempranillo leaves following foliar application of 10 mM MeJA under controlled greenhouse conditions. Leaf samples were collected at 0, 3, 6, 18, 24, and 48 h post-treatment. After quality filtering, 2552 metabolite features were detected, of which 40 discriminant features met stringent statistical criteria (maximum fold change ≥ 2 and p ≤ 0.05). Putative annotation according to Metabolomics Standards Initiative guidelines (MSI levels 2–3) revealed modulation of several metabolite classes, including carbohydrate-derived conjugates, terpenoid-related metabolites, hydroxycinnamic acid derivatives, and flavonoid-associated compounds. Temporal profiling revealed structured and non-monotonic metabolic responses characterised by rapid early changes between 3 and 6 h, followed by delayed accumulation patterns peaking around 24 h. Early phases were mainly associated with carbohydrate-related metabolites, suggesting rapid redistribution of carbon resources after elicitor perception. These results indicate that MeJA-induced metabolic adjustment in Tempranillo leaves occurs through temporally differentiated response phases rather than a uniform metabolic shift, providing a time-resolved metabolomic framework for interpreting elicitor-driven defence responses in grapevine. Full article

Cytokine storm is a central pathogenic mechanism underlying sepsis-induced acute lung injury (SALI) and severe coronavirus disease 2019 (COVID-19), yet effective therapeutic strategies remain limited. Eupatorium lindleyanum DC. (EL), a traditional Chinese medicinal herb, has been reported to possess anti-inflammatory, antioxidant, and antiviral-related activities; however, its protective mechanisms in SALI and virus-associated inflammatory lung injury remain incompletely understood. In this study, an integrated strategy combining computational prediction and experimental validation was employed to investigate the therapeutic potential and underlying mechanisms of EL. The chemical constituents of EL were characterized by UPLC–Q–TOF/MS, followed by network pharmacology, molecular docking, and molecular dynamics analyses to predict key targets and signaling pathways. A cecal ligation and puncture (CLP)-induced SALI rat model was used to evaluate lung histopathology, pulmonary edema, cytokine production, and inflammatory signaling activation. In parallel, LPS-stimulated RAW264.7 macrophages were used to assess cytokine secretion and pathway regulation in vitro. In addition, a SARS-CoV-2 pseudovirus-induced mouse model was employed to further evaluate the in vivo relevance of the representative bioactive compound hyperoside in pseudovirus-associated lung injury. A total of 32 active compounds and 697 putative targets were identified, among which 116 were associated with sepsis and COVID-19. In vivo, EL markedly alleviated lung injury, reduced the lung coefficient and wet/dry ratio, and suppressed excessive production of proinflammatory cytokines and activation of key signaling proteins. In vitro, EL dose-dependently inhibited TNF-α and IL-6 secretion and regulated the PI3K–Akt and NF-κB signaling pathways. Notably, hyperoside showed favorable predicted interactions with PI3K–Akt pathway-related targets (EGFR, PI3K, and Akt), while molecular dynamics simulations supported stable interactions with several COVID-19-related targets, including ACE2, Mpro, and RdRp. Furthermore, hyperoside significantly alleviated SARS-CoV-2 pseudovirus-associated lung injury, reduced ACE2 protein expression, and downregulated EGFR, PI3K, and Akt mRNA levels in vivo. Collectively, these findings indicate that EL exerts protective effects through multi-component, multi-target, and multi-pathway mechanisms, and support its potential value for further investigation in SALI and virus-associated inflammatory lung injury. Full article

Background/Objectives: Alzheimer’s disease (AD) involves amyloid and tau pathology with neuroimmune dysregulation, and Yixin Yangshen Granules (YXYS) shows neuroprotective promise, though mechanisms remain unclear. This study aimed to elucidate the multi-target mechanisms of YXYS in AD. Methods: The study began by analyzing a public human AD hippocampal snRNA-seq dataset to identify cell-type-specific pathological pathways and profiled YXYS constituents by UPLC-QTOF-MS. In vitro, YXYS cytoprotection against mitochondrial dysfunction and oxidative stress was tested in Aβ_25–35-challenged HT22 cells; in vivo efficacy was assessed in Aβ_1–42-induced mice via behavioral and histopathological analyses. Integrated transcriptomic and proteomic profiling of brain tissue, with ELISA, qRT-PCR, and Western blot validation, confirmed pathway targets. Using the intersection of transcriptomic and proteomic targets as biological input, the DTIAM deep learning framework was employed to prioritize active YXYS constituents. Finally, molecular docking and 100-ns dynamics simulations demonstrated direct binding of Ganosporelactone A to HIF−1α. Results: AD snRNA-seq analysis highlighted HIF−1 and AGE-RAGE signaling as prominent pathways in the AD hippocampus, particularly enriched in brain microvascular endothelial cells, implicating neurovascular hypoxic and inflammatory stress. In Aβ-induced mice, YXYS improved cognition, reduced Aβ pathology, suppressed neuroinflammation, and promoted neuronal survival, consistent with in vitro evidence of restored mitochondrial function. Multi-omics confirmed convergence on HIF−1 and AGE-RAGE pathways, with YXYS rebalancing the neuroimmune microenvironment by reducing pro-inflammatory M0 macrophages. Screening against these consensus signaling hubs, deep learning analysis prioritized Ganosporelactone A as the top-ranked modulator, and molecular further demonstrated the stable binding of Ganosporelactone A to HIF−1α, linking YXYS to mitigation of hypoxic stress. Conclusions: Guided by multi-omics and deep learning, our findings suggest that YXYS may alleviate AD-related phenotypes through multi-target modulation of the HIF−1 and AGE-RAGE pathways, with associated improvements in neuro-immune homeostasis and reductions in oxidative stress, neuroinflammation, and hypoxia. Full article