Search Results (345)

Sulfur fumigation (SF), acid dipping (HCl treatment, HAT), and their combination (SF+HAT) are common methods for long-term preservation and color protection of litchi. However, their effects on the metabolic profile of the litchi pericarp have not been investigated. SF resulted in a yellowish-green pericarp by up-regulating lightness (L*), b*, C*, and h° but down-regulating total anthocyanin content (TAC) and a*, while HAT resulted in a reddish coloration by up-regulating a*, b*, and C* but down-regulating L*, h°, and TAC. SF+HAT recovered reddish color with similar L*, C* to SF but a*, b*, h°, and TAC between SF and HAT. Differential accumulated metabolites (DAMs) detected in HAT (vs. control) were more than those in SF (vs. control), but similar to those in SF+HAT (vs. control). SF specifically down-regulated the content of cyanidin-3-O-rutinoside, sinapinaldehyde, salicylic acid, and tyrosol, but up-regulated 6 flavonoids (luteolin, kaempferol-3-O-(6″-malonyl)galactoside, hesperetin-7-O-glucoside, etc.). Five pathways (biosynthesis of phenylpropanoids, flavonoid biosynthesis, biosynthesis of secondary metabolites, glutathione metabolism, and cysteine and methionine metabolism) were commonly enriched among the three treatments, which significantly up-regulated sulfur-containing metabolites (mainly glutathione, methionine, and homocystine) and down-regulated substrates for browning (mainly procyanidin B2, C1, and coniferyl alcohol). These results provide metabolic evidence for the effect of three treatments on coloration and storability of litchi. Full article

Black tea is widely consumed worldwide, and its characteristic taste and color result from fermentation, where polyphenols are enzymatically oxidized to generate major pigments, including theaflavins (TFs), thearubigins (TRs), and theabrownins (TBs). This study investigated the effects of increased oxygen treatment during fermentation on the flavor attributes and chemical properties of Congou black tea. Fresh tea leaves (variety “Fuyun 6”) were subjected to four oxygen treatments: 0 h (CK), 1 h (TY-1h), 2 h (TY-2h), and 3 h (TY-3h), with oxygen supplied at 8.0 L/min. Sensory evaluation revealed that oxygen-treated samples exhibited tighter and deeper-colored leaves, a redder liquor, fuller taste, and a sweeter fragrance compared with CK. Chromatic analysis showed significant increases in redness (a*) and luminance (L*), alongside reduced yellowness (b*), indicating enhanced liquor color. Chemical analyses demonstrated elevated levels of TFs, TRs, and TBs in oxygen treatments, with TRs showing the most pronounced increase. Non-targeted metabolomics identified 2318 non-volatile and 761 volatile metabolites, highlighting upregulated flavonoids, phenolic acids, and lipids, and downregulated catechins and tannins, which collectively contributed to improved taste and aroma. Optimal results were achieved with 2–3 h of oxygen treatment, balancing pigment formation and sensory quality. These findings can provide a scientific basis for optimizing oxygen conditions in black tea fermentation to improve product quality. Full article

Background: Myeloproliferative neoplasms (MPN), a group of chronic hematologic neoplasms, are driven by inflammatory mechanisms that influence disease initiation and progression. Emerging evidence highlights the gut microbiome and plasma metabolome as pivotal immunomodulators, yet their causal roles in MPN pathogenesis remain uncharacterized. Methods: We conducted a two-sample Mendelian randomization (MR) analysis to systematically evaluate causal relationships between 196 gut microbial taxa, 526 plasma metabolites, and MPN risk. Instrumental variables were derived from genome-wide association studies (GWASs) of microbial/metabolite traits. Validation utilized 16S rRNA sequencing data from NCBI Bioproject PRJNA376506. Mediation and multivariable MR analyses elucidated metabolite-mediated pathways linking microbial taxa to MPN. Results: Our MR analysis revealed that 7 intestinal taxa and 17 plasma metabolites are causally linked to MPN. External validation confirmed the three taxa’s differential abundance in MPN cohorts. Mediation analysis revealed two mediated relationships, of which succinylcarnitine mediated 14.5% of the effect, and lysine 27.9%, linking the Eubacterium xylanophilum group to MPN. Multivariate MR analysis showed that both succinylcarnitine (p = 0.004) and lysine (p = 0.040) had a significant causal effect on MPN. Conclusions: This study identifies novel gut microbiota–metabolite axes driving MPN pathogenesis through immunometabolic mechanisms. The validated biomarkers provide potential therapeutic targets for modulating inflammation in myeloproliferative disorders. Full article

The agro-industrial sector produces large amounts of by-products that have a high environmental impact, so it has become essential to recover food waste at all levels. This is because it often contains bioactive molecules that can be a valuable source of new products such as animal feed, biopolymers, or products for human use, (e.g., cosmetics and nutraceuticals) due to its antioxidant, antimicrobial, and anti-inflammatory properties. Advanced analytical methodologies such as liquid chromatography coupled to mass spectrometry (LC-MS) are crucial for the characterisation of bioactive chemicals in these waste materials. LC-MS enables both targeted and untargeted metabolomic approaches, facilitating the identification and quantification of a wide range of secondary metabolites, including polyphenols, flavonoids, alkaloids, and terpenoids. The choice of extraction methodology is essential for the precise identification and quantification of these metabolites. This study provides an overview of LC-MS as an effective tool for analysing complex extracts derived from plant waste, discussing both methodological aspects and typical bioactive metabolites identified, and offering examples of their potential applications in cosmeceutics. Full article

Background: Liquid chromatography-mass spectrometry (LC-MS), widely used in metabolomics, is often limited by low ionization efficiency and ion suppression, which reduce overall metabolite detectability and quantification accuracy. To address these challenges, chemical isotope labeling (CIL) LC-MS has emerged as a powerful approach, offering high sensitivity, accurate quantification, and broad metabolome coverage. This method enables comprehensive profiling by targeting multiple submetabolomes. Specifically, amine-/phenol- and hydroxyl-containing metabolites are labeled using dansyl chloride under distinct reaction conditions. While this strategy provides extensive coverage, the sequential analysis of each submetabolome reduces throughput. To overcome this limitation, we propose a two-channel mixing strategy to improve analytical efficiency. Methods: In this approach, samples labeled separately for the amine/phenol and hydroxyl submetabolomes are combined prior to LC-MS analysis, leveraging the common use of dansyl chloride as the labeling reagent. This integration effectively doubles throughput by reducing LC-MS runtime and associated costs. The method was evaluated using human urine and serum samples, focusing on peak pair detectability and metabolite identification. A proof-of-concept study was also conducted to assess the approach’s applicability in putative biomarker discovery. Results: Results demonstrate that the two-channel mixing strategy enhances throughput while maintaining analytical robustness. Conclusions: This method is particularly suitable for large-scale studies that require rapid sample processing, where high efficiency is essential. Full article

Background: Catalpa bungei ‘Jinsi’ has excellent wood properties and golden texture, which is widely used in producing furniture and crafts. The lignin content and structural composition often determine the use and value of wood. Hence, investigating the characteristics of the annual dynamics of lignin anabolic metabolites in C. bungei ‘Jinsi’ and analyzing their synthesis pathways are particularly important. Methods: We carried out targeted metabolomics analysis of lignin synthesis metabolites using ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS) on the xylem samples of C. bungei ‘Jinsi’ in February, April, July, October 2022, and January 2023. Results: A total of 10 lignin synthesis–related metabolites were detected: L-phenylalanine, cinnamic acid, p-coumaraldehyde, sinapic acid, p-coumaric acid, coniferaldehyde, ferulic acid, sinapaldehyde, caffeic acid, and sinapyl alcohol (annual total content from high to low). These metabolites were mainly annotated to the synthesis of secondary metabolites and phenylpropane biosynthesis. The annual total content of the 10 metabolites showed the tendency of “decreasing, then increasing, and then decreasing”. Conclusions: C. bungei ‘Jinsi’ is a typical G/S-lignin tree species, and the synthesis of G-lignin occurs earlier than that of S-lignin. The total metabolite content decreased rapidly, and the lignin anabolism process was active from April to July; the metabolites were accumulated, and the lignin anabolism process slowed down from July to October; the total metabolite content remained basically unchanged, and lignin synthesis slowed down or stagnated from October to January of the following year. This reveals the annual dynamic pattern of lignin biosynthesis, which contributes to improving the wood quality and yield of C. bungei ‘Jinsi’ and provides a theoretical basis for its targeted breeding. Full article

Soybean is a dual-purpose crop for food and oil, playing a crucial role in China’s grain production. Seed size and weight are key agronomic traits directly influencing the yield. Cytokinin oxidases/dehydrogenases (CKXs) specifically degrade certain isoforms of endogenous cytokinins (CKs), thereby modulating plant growth and seed development. However, their role in soybeans remains largely uncharacterized. In a previous genome-wide association study of 250 soybean core germplasms, we identified GmCKX3 as a yield-related gene. To elucidate its function, we developed GmCKX3-deficient mutants using CRISPR/Cas9 gene editing in soybean Williams82 and conducted a three-year phenotypic analysis. Loss of GmCKX3 function significantly enhanced the seed size and weight, which was attributed to an increased cell size and fat accumulation in the endosperm. This enhancement was driven by elevated endogenous CK levels resulting from suppressed GmCKX3 expression. Subcellular localization revealed that GmCKX3 resides in the endoplasmic reticulum and predominantly degrades the isopentenyladenine (iP)-type CK. Integrated transcriptomic and metabolomic analyses uncovered key genes and pathways involved in CK regulation, supporting GmCKX3’s central role in seed-trait modulation. These findings advance our understanding of cytokinin-mediated seed development and offer promising targets for molecular breeding aimed at improving the soybean yield. Full article

This study investigated the metabolite dynamic changes and transformation pathways in Diqing Tibetan pig (DTP) hams during fermentation (0, 30, 90, 180, 360, 540 d) by widely targeted metabolomics. A total of 873 metabolites in 17 subclasses were detected, with significant changes in 448 metabolites. Additionally, 65 key metabolites were found to be involved in the top 10 pathways, with the top pathways for metabolite markers in mature hams including protein metabolism (2-oxocarboxylic acid metabolism, tryptophan metabolism and amino acid biosynthesis) and lipid metabolism (unsaturated fatty acid biosynthesis and linoleic acid metabolism). Overall, the unique DTP ham taste, flavor, and nutritional value may be contributed to by the significant accumulation of essential amino acids, MSG-like amino acids, free fatty acids (arachidonic acid, docosahexaenoic acid, and eicosapentaenoic acid), citric acid, oxaloacetic acid, succinic acid, and vitamin B. This study facilitates a comprehensive understanding of metabolic profiling and the transformation pathways of DTP hams during fermentation, providing novel insights into the biochemical mechanisms underlying traditional Tibetan pig hams, bridging traditional knowledge with modern omics technologies. Full article

This study explores the metabolite diversity and potential medicinal value of three Paphiopedilum species—P. dianthum, P. micranthum, and P. barbigerum—using widely targeted metabolomics via HPLC-MS/MS in conjunction with in vitro antioxidant assays. A total of 2201 metabolites were detected across the three species, with flavonoids emerging as the dominant class (480 compounds, accounting for 21.8% of total metabolites). Comparative metabolomic analysis showed that flavonoid levels varied most prominently among the species. Notably, the metabolic profile of P. barbigerum (PB) diverged substantially from those of P. dianthum (PD) and P. micranthum (PM), which shared a higher degree of similarity with each other. Quantitative evaluation of antioxidant-associated metabolites revealed that PB exhibited the greatest enrichment in compounds with antioxidant potential, particularly flavonoids and phenolic acids, followed by PM and PD. These results were corroborated by antioxidant assays, in which PB demonstrated the highest free radical scavenging activity, with PM and PD displaying progressively lower effects. Differences in flavonoid content likely underpin these variations in antioxidant capacity. KEGG pathway enrichment analysis indicated that differentially expressed metabolites were primarily involved in flavonoid-associated biosynthetic routes, notably flavonoid biosynthesis (ko00941) and isoflavonoid biosynthesis (ko00943), with ko00941 being the most enriched. Within this pathway, PB showed eight significantly upregulated flavonoid metabolites, while PM and PD had seven and five, respectively. The observed differences may stem from species-specific expression of key biosynthetic enzymes such as flavonoid 3′-hydroxylase (F3′H) in PM and flavonoid 3′,5′-hydroxylase (F3′5′H) in PB, which influence both flavonoid composition and antioxidant potential. Full article

Pharmaceuticals such as fluoxetine, paroxetine, sertraline, and mianserin occur in aquatic environments at low yet persistent concentrations due to their incomplete removal in wastewater treatment plants. Although frequently detected, these neuroactive compounds remain underrepresented in ecotoxicological assessments. Given their pharmacodynamic potency, environmentally relevant concentrations may induce sublethal effects in non-target organisms. In this study, we applied untargeted LC-MS-based metabolomics to investigate the sublethal effects of four widely used antidepressants—paroxetine, sertraline, fluoxetine (SSRIs), and mianserin (TeCA)—on two ecologically relevant freshwater invertebrates: S. ambiguum and D. magna. Organisms were individually exposed to each compound for 48 h at a concentration of 100 µg/L and 25 µg/L, respectively. Untargeted metabolomics captured the sublethal biochemical effects of these antidepressants, revealing both shared disruptions—e.g., in glycerophospholipid metabolism and cysteine and methionine metabolism—and species-specific responses. More pronounced pathway changes observed in D. magna suggest interspecies differences in metabolic capacity or xenobiotic processing mechanisms between taxa. Among the four antidepressants tested, sertraline in D. magna and fluoxetine in S. ambiguum exerted the most extensive metabolomic perturbations, as evidenced by the highest number and pathway impact scores. In D. magna, fluoxetine and mianserin produced similar metabolic profiles, largely overlapping with those of sertraline, whereas paroxetine affected only a single pathway, indicating minimal impact. In S. ambiguum, paroxetine and mianserin elicited comparable responses, also overlapping with those of fluoxetine, while sertraline triggered the fewest changes. These results suggest both compound-specific effects and a conserved metabolic response pattern among the antidepressants used. They also underscore the considerable potential of metabolomics as a powerful and sensitive tool for ecotoxicological risk assessments, particularly when applied across multiple model organisms to capture interspecies variations. However, further research is essential to identify which specific pathway disruptions are most predictive of adverse effects on organismal health. Full article

The plant Synsepalum dulcificum is notable for its considerable edible and medicinal value, with a longstanding history as a folk remedy for diabetes. Its chemical constituents are rich and structurally diverse. However, there is limited information regarding the metabolic basis of these characteristics, and the biological activities and mechanisms underlying its blood glucose-lowering effects remain incompletely understood. In this study, we conducted a widely targeted metabolomics analysis of the stems, leaves, and fruits of S. dulcificum using UPLC-ESI-MS/MS to compare the differences in metabolite profiles among these three tissue types. Our analysis identified a total of 2544 secondary metabolites, primarily consisting of flavonoids and triterpenes, categorized into thirteen distinct compound classes. We selected differential metabolites through multivariate statistical analysis, revealing significant differences among the metabolite profiles of the three tissue types, with flavonoids being the most abundant compounds. Furthermore, we investigated the anti-diabetic mechanisms and potential pharmacological components of S. dulcificum utilizing network pharmacology and molecular docking techniques. Finally, the α-glucosidase inhibitory activity of the potential active components was evaluated using in vitro experiments. These findings establish a foundation for the future application of S. dulcificum in the prevention and treatment of diabetes. Full article

Objectives: To explore the metabolic changes in zebrafish larvae after infection with Mycobacterium marinum, this study adopted a widely targeted metabolomic approach to analyze the changes in the overall metabolic profiles of zebrafish larvae infected for 5 days. Methods: Data were collected by liquid chromatography–tandem mass spectrometry (LC-MS/MS). Mass spectrometry data were processed using Analyst 1.6.3 and MultiQuant 3.0.3 software, and multivariate statistical analysis was carried out. The KEGG database, HMDB database, and CHEBI database were used to screen and identify differential metabolites, and metabolic pathway enrichment analysis was performed through KEGG pathways. Results: A total of 329 metabolites were detected, among which 61 differential metabolites were screened. Specifically, 41 metabolites, such as kynurenine, isoallolithocholic acid, 2′-deoxyguanosine, indole-3-carboxaldehyde, and L-lactic acid, were downregulated, while 20 metabolites, such as L-palmitoylcarnitine, myristoyl-L-carnitine, dodecanoylcarnitine, 2-isopropyl-malic acid, and 2-methylsuccinic acid, were upregulated. KEGG metabolic pathway enrichment analysis indicated that these differential metabolites were mainly involved in metabolic pathways such as pyrimidine metabolism, nucleotide metabolism, the pentose phosphate pathway, and purine metabolism. Conclusions: This study demonstrated that significant changes occurred in multiple metabolites and metabolic pathways in zebrafish larvae after infection with M. marinum. The research results have improved the understanding of zebrafish as a model organism in the field of Mycobacterium research and laid a solid foundation for subsequent metabolomic-related research using zebrafish. Full article

Background: F. hirta vahl is a famous Chinese medicinal plant. The root is the main organ accumulating bioactive compounds, and its development is directly related to the yield and quality of the harvested F. hirta. However, the molecular mechanisms underlying the bioactive compound biosynthesis occurring during the root development of F. hirta are unknown. Method: Transcriptome and widely targeted metabolome analyses were performed to investigate gene expression and metabolite variation during the development of F. hirta taproots. Results: A total of 3792 differentially expressed genes (DEGs) were identified between the one- and three-year-old F. hirta taproots; they are related to circadian rhythm–plant, phenylpropanoid biosynthesis, starch and sucrose metabolism, and plant–pathogen interaction pathways. In total, 119 differentially accumulated metabolites (DAMs) were identified between the one- and three-year-old F. hirta taproots, including flavonols, phenolic acids, and coumarins compounds. Integrative transcriptome and metabolome analyses revealed a significant correlation between 172 DEGs and 21 DAMs; they were predominantly enriched for processes associated with phenylpropanoid biosynthesis, flavonoid biosynthesis, plant hormone signal transduction, and stilbenoid, diarylheptanoid, and ginerol biosynthesis. In addition, 26 DEGs were identified to be significantly correlated with the DAMs that accumulated in the phenylpropanoid biosynthesis pathway, and these DEGs may be the key genes for the biosynthesis of F. hirta active compounds. Conclusions: The phenylpropanoid biosynthesis pathway plays a dual role in both development and bioactive compound synthesis in F. hirta taproots. These findings provide a molecular regulatory network in the relationships between F. hirta taproot development and the accumulation of secondary metabolites. The identification of candidate genes and pathways provides a genetic resource for quality control and future molecular breeding in F. hirta. Full article

Citral, an organic compound found in lemongrass (Cymbopogon citratus) oil and Litsea cubeba essential oil, has been reported to exhibit notable antifungal activity against Magnaporthe oryzae (M. oryzae), the pathogen of rice blast, which causes significant economic losses in rice production. However, the role of citral in inducing oxidative stress related to antifungal ability and its underlying regulatory networks in M. oryzae remain unclear. In this study, we investigated the oxidative effects of citral on M. oryzae and conducted transcriptomic and widely targeted metabolomic (WTM) analyses on the mycelia. The results showed that citral induced superoxide dismutase (SOD), catalase (CAT), ascorbate peroxidase (APX) activities but reduced glutathione S-transferase (GST) activity with 25% maximal effective concentration (EC₂₅) and 75% maximal effective concentration (EC₇₅). Importantly, citral at EC₇₅ reduced the activities of mitochondrial respiratory chain complex I, complex III and ATP content, while increasing the activity of mitochondrial respiratory chain complex II. In addition, citral triggered a burst of reactive oxygen species (ROS) and a loss of mitochondrial membrane potential (MMP) through the observation of fluorescence. Furthermore, RNA-seq analysis and metabolomics analysis identified a total of 466 differentially expression genes (DEGs) and 32 differential metabolites (DAMs) after the mycelia were treated with citral. The following multi-omics analysis revealed that the metabolic pathways centered on AsA, GSH and melatonin were obviously suppressed by citral, indicating a disrupted redox equilibrium in the cell. These findings provide further evidences supporting the antifungal activity of citral and offer new insights into the response of M. oryzae under oxidative stress induced by citral. Full article

Abutilon theophrasti Medikus, a pervasive weed infesting transgenic corn fields, exhibits increasing tolerance to glufosinate ammonium—a widely used herbicide in genetically modified cropping systems. This study employed a widely targeted metabolomics approach to investigate differential metabolic responses to glufosinate ammonium across two Abutilon theophrasti populations under identical treatments. A total of 2546 metabolites were detected, predominantly classified into alkaloids, amino acids and derivatives, and flavonoids, among other categories. Three pivotal metabolic pathways (Arginine and proline metabolism, Biosynthesis of amino acids, D-amino acid metabolism) were identified as critical regulators of herbicide response. These findings advance our understanding of weed metabolic adaptation to glufosinate ammonium and lay a foundation for elucidating potential herbicide resistance mechanisms in weeds. Full article