Search Results (2,118)

Smilacis Glabrae Rhizoma is a traditional Chinese medicine commonly used for hyperuricemia. Engeletin, one of its major flavonoids, exhibits various pharmacological activities, but its in vivo uric acid-lowering activity and metabolic processes remain unclear. This study aims to elucidate the in vivo existence forms of engeletin and the pharmacological basis underlying its uric acid-lowering effects. The in vivo metabolites of engeletin were identified by using UHPLC-Q-TOF-MS. The xanthine oxidase inhibitory activity was investigated using in vitro enzymatic assays. The in vivo uric acid-lowering effect was evaluated in hyperuricemic mice. A total of 11, 34, 7, 6, and 5 compounds were detected in urine, feces, serum, liver, and kidney samples, respectively. After removing duplicates, 52 compounds were preliminarily identified as in vivo existence forms of engeletin. The main metabolic reaction types were glucuronidation, sulfation, and hydrolysis. Engeletin exhibited no xanthine oxidase inhibitory activity in vitro but possessed uric acid-lowering activity in vivo. Neoisoastilbin and naringenin were metabolites with both xanthine oxidase inhibitory activity and uric acid-lowering activity. The in vivo uric acid-lowering activity of engeletin may be attributable to its two metabolites rather than itself. This study elucidated the pharmacological basis of engeletin and laid the foundation for developing potential therapeutics for hyperuricemia. Full article

Plants of the genus Astragalus are recognized as rich sources of bioactive compounds with antioxidant and therapeutic potential; however, European species remain less explored than the well-known Astragalus membranaceus (Fisch.) Bunge. The aim of this study was to compare the phytochemical composition and in vitro biological activity of selected Astragalus species occurring in Poland (A. cicer L., A. glycyphyllos L., A. membranaceus). Phenolic compounds in methanolic extracts obtained from the roots and aerial parts were analyzed using spectrophotometric methods and UHPLC–DAD–ESI/TOF–MS. Antioxidant activity was evaluated using DPPH, ABTS, FRAP, CUPRAC, metal chelation, superoxide radical scavenging, and lipid peroxidation (TBARS) assays. Additionally, enzyme inhibition toward α-amylase, lipase, hyaluronidase, tyrosinase, and butyrylcholinesterase was assessed. The root of A. membranaceus exhibited the highest total phenolic content (199.84 ± 3.64 mg GAE/g extract) and the strongest antioxidant activity (DPPH IC₅₀ = 36.53 ± 1.22 µg/mL; ABTS IC₅₀ = 26.31 ± 0.03 µg/mL), as well as the most pronounced α-amylase inhibition (IC₅₀ = 17.78 ± 1.16 µg/mL). It also demonstrated moderate protective effects against AAPH-induced lipid peroxidation. The herb of A. cicer showed moderate radical scavenging capacity and the most effective inhibition of lipid peroxidation at higher concentrations. Extracts of A. glycyphyllos displayed weaker radical scavenging but notable metal-chelating properties. Selected extracts also exhibited moderate inhibitory activity against tyrosinase and butyrylcholinesterase. A. membranaceus remains the most potent source of phenolic compounds and antioxidant activity; European species such as A. cicer and A. glycyphyllos represent promising, locally available alternatives and may be used in phytotherapy and functional products. Full article

Crackers and cookies have become the most widely consumed snacks due to their low production costs, long shelf life, and ability to deliver essential nutrients. Increasing consumer health consciousness has shifted preferences toward foods perceived as natural and beneficial. This shift elevates demand for cracker formulations with novel, health-promoting natural ingredients. This study examined the effects of incorporating freeze-dried olive leaf powder (FDOLP) into crackers on their physicochemical properties, phenolic and volatile compound profiles, antioxidant capacity, and sensory acceptability. Total polyphenol content of crackers was determined using the Folin–Ciocalteu method, while antioxidant capacity was evaluated by FRAP and DPPH assays. The UHPLC-ESI-HRMS analysis evaluated olive-derived compounds, including tyrosol, oleuropein derivatives, and pinoresinol 4-O-glucoside, present in olive leaf-enriched crackers. The characterisation of volatile compounds in crackers was performed using headspace solid-phase microextraction coupled with gas chromatography–mass spectrometry (HS-SPME/GC-MS). A darker colour was observed in the enriched crackers compared to the control samples. Results demonstrated that increasing the proportion of FDOLP led to enhanced phenolic composition and antioxidant activity, as well as changes in the volatile profile of the crackers. Sensory analyses indicated that crackers enriched with moderate levels of FDOLP maintained acceptable overall sensory scores, suggesting a potential for the development of functional snacks. These findings demonstrate that olive leaves can be effectively utilised as a natural functional ingredient in cracker formulations to enhance their nutritional value and bioactive properties. Full article

Fat deposition plays an important role in yak metabolism, reproduction, and meat quality, and male yaks are often castrated to facilitate management and improve production performance. The effect of castration on the characteristics of fat deposition in male yaks and the molecular mechanisms of action was explored in this study. The subcutaneous fat thickness in castrated and common male yaks was measured, further the content of fatty acids in yak subcutaneous fat was detected using gas chromatography-mass spectrometer (GC-MS); the transcriptome, metabolome in the yak subcutaneous fat were detected using mRNA-Sequencing, ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS), respectively; the integrative analyses of differentially expressed genes (DEGs), different metabolites (DMs), fatty acids and fat thickness were carried out. The results showed that castration can strengthen the ability of fat deposition and improve the content of fatty acids, especially PUFAs, in male yaks, and both transcriptome and metabolome were significantly different between castrated male yaks and common male yaks. The effect of castration on the male yak fat deposition was closely related to the PPAR signaling pathway, citrate cycle, and insulin resistance. Data suggests that FASN, ACACA, AGPAT2, ACLY, ACSL5, SCD, GSK3B, and SLC2A4 may be the crucial control genes for the fat amount in yaks, and that FADS2, LPL, and ACSL4 may be the crucial control genes for the polyunsaturated fatty acids (PUFAs) content in yak adipose tissue. Further functional studies will be conducted to determine the specific role of each gene in regulating fat deposition and fatty acid composition in yaks. Full article

In contemporary research on natural bioactive compounds, increasing emphasis is placed on the development of efficient and sustainable extraction technologies. This study aimed to develop and optimize an innovative extraction process for wild cyclamen (Cyclamen purpurascens Mill.) tubers to maximize the yield of total extractives using a Box–Behnken design. The effects of four extraction parameters were evaluated on the system response. A second-order polynomial model accurately described the extraction process, yielding a coefficient of determination of 0.919. The liquid-to-solid ratio was identified as the dominant factor affecting the extraction efficiency compared to the other factors investigated. The optimal extraction conditions were as follows: extraction time of 15.5 min, 13% (v/v) ethanol, liquid-to-solid ratio of 13.5 mL/g, and extraction temperature of 34 °C, resulting in a yield of 53.44%. The optimized process yielded a significant saponin content of 16.19 g/100 g, while the levels of phenolic compounds (132.52 mg GAE/100 g) and flavonoids (12.04 mg QE/100 g) were also quantified. UHPLC–ESI–MS/MS analysis confirmed the presence of triterpene saponins, flavonoids, and terpenoids. DPPH, ABTS⁺, and CUPRAC assays indicated the antioxidant potential of the extract, while the minimum inhibitory concentration assay showed antibacterial activity against Staphylococcus aureus and Escherichia coli. The established chemical profile and observed biological activities provide the basis for further evaluation of wild cyclamen tubers as a source of bioactive secondary metabolites. Full article

Ginkgo biloba seeds are a rich source of flavonoids and the unique terpene lactones—ginkgolides and bilobalide, known for their neuroprotective and cognitive-improving effects. However, unlike the widely used leaves, the seeds contain substantial levels of ginkgolic acid and ginkgotoxin (4′-O-methylpyridoxine), an antivitamin B₆ compound. At high concentrations, ginkgotoxin exhibits neurotoxicity, potentially inducing seizures, respiratory distress, and loss of consciousness, thus limiting the safe application of Ginkgo seed-derived products. This study aimed to develop a simple yet effective extraction protocol that reduces ginkgotoxin levels in Ginkgo biloba seed extracts while preserving their beneficial phytochemicals. A multistep liquid–liquid extraction approach employing sequential polar and non-polar solvents was implemented. Following each extraction stage, fractions were analyzed using ultra-high-performance liquid chromatography coupled with mass spectrometry (UHPLC–MS). The concentrations of flavonoids, ginkgolides, bilobalide, ginkgolic acid, and ginkgotoxin were quantified to evaluate detoxification efficiency and phytochemical retention. Compared with conventional single-step extraction using 70% methanol, this multistep protocol markedly reduced ginkgotoxin and ginkgolic acid to near-undetectable levels, while preserving detectable concentrations of major flavonoids and terpene trilactones. The findings demonstrate that multistep extraction represents a promising and practical strategy for minimizing ginkgotoxin in Ginkgo biloba seed extracts without compromising their beneficial phytochemical composition. This approach provides a sound basis for developing safer, functionally active Ginkgo-based products. Full article

This study aims to systematically elucidate the influence of various heat treatment methods on the phenolic compounds in highland barley and their potential antihypertensive processes via chemical, in vitro bioactivity, and bioinformatics prediction analyses. This work employed UHPLC-Q Exactive HFX-MS/MS targeted metabolomics technology to ascertain metabolites in barley treated with five different thermal conditions: steaming (ST), boiling at atmospheric pressure (BO), boiling at high pressure (PO), extrusion puffing (EX), and sand-roasting (SR). The data revealed 252 phenolic metabolites, comprising 19 phenolic acids and 233 flavonoids. Moreover, it was observed that, in comparison to the untreated group, various heat treatments yielded substantial differences in the profiles of phenolic compounds. Notably, extrusion puffing (EX) exhibited superior performance: it increased specific flavonoid glycosides such as Clitorin and Quercetin 3-O-rutinoside-(1-2)-O-rhamnoside, while also improving direct antioxidant capabilities such as DPPH and FRAP. In addition, network pharmacology analysis of differentially expressed metabolites in the puffed group identified 44 potential targets, including TNF, IL-6, MMP-9, HIF-1A, and ACE. The KEGG and GO enrichment analyses revealed a substantial enrichment of these targets in classic hypertension-related pathways, including lipid metabolism, atherosclerosis and fluid shear stress. The molecular docking findings indicated that Apigenin 7-O-(2G-rhamnosyl) gentiobioside had significant binding affinities for the target proteins MMP9 and ACE. This study demonstrated that EX is an efficient processing method, with highland barley polyphenols showing potential antihypertensive activity. The findings provide a novel theoretical foundation and research direction for optimizing highland barley processing to maximize functional component utilization and elucidate its food-derived antihypertensive mechanisms. Full article

To investigate how spreading conditions affect green tea taste and aroma and to develop a generalizable prediction model from small data for process optimization, this study integrated SEM, non-targeted dual-omics, and TabPFN to systematically analyze Echa No. 10 spreading. A central composite design was used. Dehydration-induced mechanical stress altered cell membrane permeability, driving non-volatile taste compound transformation and volatile aroma release. Two chemical-sensory proxies, relative polyphenol-to-amino acid ratio (R-PAR) and floral intensity index (FII), were established using ultra-high performance liquid chromatography–high-resolution mass spectrometry (UHPLC-HRMS) and headspace solid-phase microextraction–gas chromatography–mass spectrometry (HS-SPME-GC-MS). A prediction model was built with these indicators and TabPFN. Multi-objective optimization yielded optimum conditions: initial moisture 76.8%, temperature 26.2 °C, relative humidity 61.5%, air speed 0.85 m/s, achieving R-PAR 0.465 and FII 125.70. Compared with response surface methodology (RSM), partial least squares regression (PLSR), and support vector regression (SVR), TabPFN showed prediction R² of 0.81 and 0.77, showing favorable applicability and predictive capability on small-sample data. This study validates TabPFN’s suitability for small-sample tea processing modeling, quantifies the mapping between spreading and key taste/aroma metabolism, and provides a methodological foundation for digital precision and intelligent optimization in green tea production. Full article

The aim of this research was to identify the wealth of secondary metabolites in the Chilean lichen Sticta caulescens, applying green chemistry approaches and comparing the following two extraction methods: (a) conventional maceration with methanol, and (b) microwave-assisted extraction (MAE) using ethyl lactate as a solvent. In addition, chemoinformatic and chemotaxonomic studies were conducted on S. caulescens and other species of the genus Sticta, which have been reported in previous studies. A UHPLC/ESI-MS/MS analysis allowed for the identification of 32 metabolites obtained from maceration and 33 from MAE, considering carbohydrates, aromatic compounds, acids, depsides, depsidones, dibenzofurans, lipids, anthraquinones, and triterpenes. Maceration using methanol yielded a slightly higher extract percentage than with ethyl lactate (6.3% versus 5.0%), while MAE extracted an almost identical spectrum of metabolites using ethyl lactate,—though including one compound detected only under MAE conditions. This highlighted both the method efficiency and selectivity. This study also incorporates a comprehensive chemoinformatic and chemotaxonomic analysis of secondary metabolites across 12 Sticta species. A computational comparison (Morgan fingerprints, Jaccard similarity, hierarchical clustering, Murcko scaffolds) demonstrated that S. caulescens is one of the most chemically diverse species, closely related to S. cordillerana, and forming part of a major chemotaxonomic lineage, which is characterized by high scaffold richness and shared aromatic/depsidone biosynthetic pathways. Full article

Qualitative liquid chromatography–mass spectrometry (UHPLC–MS) and NMR analysis of the diethyl ether extract of the aerial part of Eryngium dichotomum plant belonging to the Apiaceae family led to the putative identification of phenolic acids, flavonoid glycosides, triterpenoid saponins, fatty acids, and oxylipins. The tentative identification of several secondary metabolites by UHPLC–MS analysis was further confirmed by compound isolation and comprehensive spectroscopic characterization using 2D NMR and mass spectrometry, leading to the elucidation of seven compounds, a mixture of two hydroxy fatty acids, namely (Z,E)-13-hydroxyoctadeca-9,11-dienoic acid (1) and (E)-13-hydroxyoctadec-11-enoic acid (2); two C17 polyacetylenes, (E)-heptadeca-1,10-dien-4,6-diyne-3,8,9-triol (3), and falcarinol ((Z)-1,9-heptadeca-1,9-dien-4,6-diyn-3-ol) (4); glycerol monopalmitate (5) and two flavonoid glycosides, kaempferol 3-O-β-D-glucopyranosyl-(1 → 6)-O-β-D-galactopyranoside (6), and quercetin 3-O-β-D-glucopyranosyl-(1 → 6)-O-β-D-galactopyranoside (7). Furthermore, the antioxidant activity of the n-butanol and the diethyl ether extracts of the species were evaluated using the DPPH, FRAP, and ABTS assays. In addition, the anticancer activity of the major falcarinol-type polyacetylene was assessed against A375 human melanoma cells. Full article

This study investigates the occurrence, distribution, and environmental implications of polymer-derived additives, including per- and polyfluoroalkyl substances (PFAS), in aquatic systems impacted by the Brånåsen legacy landfill in Norway. Water samples were collected from landfill leachate and from seven locations along the Nitelva River to evaluate both point-source contamination and downstream transport processes. UHPLC–HRMS and GC–MS/MS suspect screening analyses provided tentative evidence for dimethacrylate-related compounds, including features putatively assigned to DEGDMA and TEGDMA-related compounds, potentially associated with polymer degradation processes. Selected PFAS were instead quantified by targeted LC–MS/MS, with PFOS, PFOA, PFHxS, and PFHxA exhibiting the highest concentrations at the landfill tributary, reaching maximum concentrations of up to 780 ng L⁻¹, and decreasing downstream consistently with dilution and hydrological mixing, while remaining detectable throughout the river reach. Temporal variation indicated short-term hydrological influences on contaminant mobility. The study highlights the role of legacy landfills as persistent sources of emerging pollutants in freshwater environments. These findings underscore the need for improved monitoring strategies and advanced treatment measures to address complex contaminant mixtures originating from historical waste disposal activities. Full article

In recent years, the pufferfish Lagocephalus lagocephalus has been recorded with unusual frequency in coastal areas of the Canary Islands. The most notable episodes occurred in March and November 2017, when numerous shoals were observed along the coasts of the Western Canary Islands. A toxicological study of these episodes was carried out, analyzing liver, kidney, gonads, skin, and muscle of a representative population. In all toxic samples (33.3% and 41.7% of specimens in March and November 2017, respectively), only the liver extract showed toxicities, using a mouse biological assay (MBA). The toxicological profile was determined by UHPLC-MS-MS, identifying saxitoxin (STX) and tetrodotoxin (TTX) congeners. This analytical methodology was optimized to determine 26 marine toxins. Thus, in the March 2017 episode, the toxicological profile was characterized by the co-occurrence of tetrodotoxins (TTX and 4-epiTTX) and paralytic shellfish toxin (PST) analogues (dcSTX, dcneoSTX, and doSTX); however, STX and neoSTX emerged as the dominant toxins in specimens collected during the November 2017 episode. The results show that L. lagocephalus in the Canary Islands presents a variable and dynamic toxicological profile, strongly influenced by environmental factors. These findings highlight the need for continued monitoring and for analytical approaches capable of capturing this complexity and assessing potential risks to public health. Full article

Almond blanched skins (BS) and blanch water (BW) are underutilized agro-industrial by-products, despite their richness in polyphenols and other bioactive compounds. This study investigates the reuse of BW as an extraction solvent to recover polyphenols from BS, avoiding the need for additional water or organic solvents. BW showed a total polyphenol content (TPC) of 475.2 ± 10.7 µg GAE/mL and a Total Antioxidant Capacity (TAC) of 840.4 ± 41.8 µM TE. Thermal extraction at 115 °C and 1.7 atm for 1 h (1:10 BS/BW w/v) produced an enriched blanch water (EBW) with a TPC of 809.2 ± 12.1 µg GAE/mL and a TAC of 2188.8 ± 3.6 µM TE. Subsequent microfiltration and nanofiltration further concentrated the bioactive fraction, with the nanofiltration retentate exhibiting a 2.8-fold increase in TPC and a 2.1-fold increase in TAC compared to the EBW feed. Spray-drying generated a fine, homogeneous, and storage-stable powder without loss of antioxidant capacity. UHPLC-QqTOF-MS/MS analysis identified catechins and their derivatives, procyanidins, and flavanol glycosides as the main polyphenols contributing to the strong antioxidant capacity of the powder. Overall, this workflow provides a scalable and water-saving strategy to convert almond-processing residues into high-value functional ingredients for food, cosmetic, and pharmaceutical applications. Full article

Bovine rotavirus (BRV) is a major pathogen causing diarrhea in neonatal dairy calves, yet its impact on the gut microbiome and host metabolism remains incompletely understood. This study integrated 16S rRNA gene sequencing and untargeted metabolomics to characterize the fecal microbial and metabolic profiles of BRV-infected diarrheic calves compared to healthy controls. Fecal samples were collected from 16 Holstein calves (<30 days old), equally divided into a BRV-infected group (confirmed by RT-qPCR) and a healthy control group. Alpha diversity analysis revealed a significant reduction in microbial richness (Chao1, p = 0.012) in the BRV group. Beta diversity (Jaccard distance) showed distinct clustering between groups (PERMANOVA, p < 0.05). Linear discriminant analysis effect size (LEfSe) identified a significant enrichment of Escherichia (Proteobacteria) and Enterococcus (Firmicutes) in BRV calves, whereas healthy controls were enriched in Blautia and Faecalibacterium (both Firmicutes, with Faecalibacterium also commonly associated with healthy gut communities). Metabolomic analysis via UHPLC-MS/MS demonstrated a clear separation of metabolic profiles. BRV infection was associated with significant alterations in lipid metabolism pathways, notably elevated levels of lysophosphatidylcholines (LPCs) and lysophosphatidylethanolamines (LPEs). Integrated Spearman correlation analysis revealed extensive and significant associations (|ρ| > 0.6, FDR-adjusted p < 0.05) between differential bacterial genera (e.g., Enterococcus, Escherichia) and differential metabolites (e.g., glycerolipids, amino acid derivatives), suggesting a close linkage between gut microbial dysbiosis and metabolic remodeling during BRV infection. These findings provide a multi-omics perspective on the interplay between the gut microbiota and host metabolism in BRV-induced diarrhea, offering potential insights for developing microbiota-based diagnostic or therapeutic strategies. Full article

Biomass valorization into carbon-rich materials has attracted increasing attention as a sustainable alternative to fossil-based resources. This work is devoted to the study of hydrothermal carbonization (HTC) of spruce lignocellulose liquid pyrolysis products (the target product of the pyrolysis is levoglucosan)—bio-oil (B). In addition, the fractionated B compounds, including the phenol-enriched fraction remaining after anhydrosugar removal, were evaluated as potential precursors for hydrochar production. Hydrochars were produced at 200, 250, and 300 °C and characterized using SEM, revealing that spherical morphology agglomerates can also be obtained from the phenol-enriched fraction. The chemical composition and structural evolution of the hydrochars were investigated by Py-GC/MS, elemental analysis, and FTIR, demonstrating the significant influence of both precursor composition and carbonization temperature on hydrochar chemistry. In addition, the organic compounds in the process water were analyzed using UHPLC and complementary chemical analysis. The results show that the chemical composition of the precursor strongly influences the yield, morphology, and chemical composition of the obtained hydrochar. Full article