PubMed

Talanta. 2025 Feb 8;289:127712. doi: 10.1016/j.talanta.2025.127712. Online ahead of print.ABSTRACTThe biological significance of oxidized arachidonoyl-containing glycerophosphocholines, exemplified by the oxidation products of 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine (oxPAPC), in pathological processes is well-established. However, despite their widespread use in redox lipidomics research, the precise chemical composition of the heterogeneous mixtures of oxPAPC generated in vitro -including the high prevalence of isomers and the oxidation mechanisms involved- remain inadequately understood. To address these knowledge gaps, we developed a multidimensional in-house database from a commercial oxPAPC preparation -employing Liquid Chromatography coupled to Quadrupole Time-of-Flight Mass Spectrometry (LC-QTOF-MS) and Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS). This database includes lipid names, retention times, accurate mass values (m/z), adduct profiles, MS/MS information, as well as collision cross-section (CCS) values. Our investigation elucidated 34 compounds belonging to distinct subsets of oxPAPC products, encompassing truncated, full-length, and cyclized variants. The integration of IMS-MS crucially facilitated: (i) structural insights among regioisomers, exemplified by the 5,6-PEIPC and 11,12-PEIPC epoxy-isoprostane derivatives, (ii) novel Collision Cross Section (CCS) values, and (iii) cleaner MS/MS spectra for elucidating the fragmentation mechanisms involved to yield specific fragment ions. These diagnostic ions were employed to successfully characterize full-length isomers present in human plasma samples from patients with mucormycosis. This comprehensive oxPAPC characterization not only advances the understanding of lipid peroxidation products but also enhances analytical capabilities for in vitro-generated oxidized mixtures. The implementation of this robust database, containing multiple orthogonal (i.e., independent) pieces of information, will serve as a comprehensive resource for the field.PMID:39987613 | DOI:10.1016/j.talanta.2025.127712

Phytomedicine. 2025 Feb 16;139:156531. doi: 10.1016/j.phymed.2025.156531. Online ahead of print.ABSTRACTBACKGROUD: Rheumatoid arthritis (RA) is a prevalent chronic autoimmune disease characterized by symmetric polyarthritis, resulting in pain and swelling in the synovial joints. Flemingia philippinensis, a traditional Chinese medicine, has been shown to be an effective treatment approach for anti-rheumatoid arthritis (RA), which still needs further research in its active ingredient and regulatory mechanisms.PURPOSE: This study aimed at investigate the pharmacodynamic basis and intricate mechanism of action of Flemingia philippinensis (FPTF) in the treatment of RA based on integrated omics technologies.METHODS: UPLC-Q-Orbitrap HRMS was first established to identify the active components of FPTF in blood and network pharmacology was then used to predict the key therapeutic targets and corresponding pathways of FPTF in treatment of RA. To substantiate the pharmacodynamic effects, a collagen-induced arthritis (CIA) animal model was employed to observe the anti-RA effects of FPTF through a series of indicators, including rat body weight, arthritis scoring, paw swelling, histopathological analysis of synovial tissue, and serum inflammatory factors. Subsequently, the potential mechanisms underlying the anti-RA efficacy of FPTF was elucidated by integrating metabolomics analysis with 16S rRNA gene sequencing. Specifically, the RT-qPCR experiment was further conducted to validate the pathways predicted by serum pharmacochemistry, network pharmacology, metabolomics and 16S rRNA gene sequencing.RESULTS: A total of 10 compounds derived from FPTF were identified by serum sample analysis. Utilizing network pharmacology, we identified 117 common targets for FPTF in the treatment of RA. Notably, KEGG analysis highlighted the PI3K/AKT signaling pathway and the IL17 signaling pathway as key pathways associated with the anti-RA effects of FPTF. Pharmacodynamic studies showed that FPTF can significantly alleviate CIA-induced arthritis. Compared with the CIA model group, FPTF treatment significantly improved the expression of mRNA in the PI3K/AKT and IL-17 signaling pathways. Further investigation unveiled a total of 28 differential metabolites in serum samples, among which 21 metabolites were observed to be reversed following FPTF administration. Metabolomic profiling revealed pronounced perturbations in amino acid metabolism, fatty acid metabolism, and glycerophospholipid metabolism pathways in CIA rats, which were partially rectified by FPTF treatment. Additionally, 16S rRNA gene sequencing analysis indicated that FPTF could restore the gut microbiota balance disrupted by RA. RT-qPCR further confirmed that FPTF can modulate key enzymes in metabolic pathway analysis and gut microbiota metabolic pathways.CONCLUSION: This study pioneeringly elucidates the potential pharmacodynamic material basis of FPTF for treatment of RA, detailing the regulated metabolic pathways and key gut microbiota genera involved. The findings provide a comprehensive understanding of mechanisms underlying the effects of FPTF in RA treatment.PMID:39987603 | DOI:10.1016/j.phymed.2025.156531

Phytomedicine. 2025 Feb 14;139:156509. doi: 10.1016/j.phymed.2025.156509. Online ahead of print.ABSTRACTOBJECTIVE: To explore the taste-related quality markers of Qingbanxia, the alum-processed Pinellia ternata tuber.METHODS: Eighteen samples of Banxia and Qingbanxia were analyzed by the Ultra-High Performance Liquid Chromatography coupled with Q-Exactive Orbitrap Mass Spectrometry. Data of all samples were pre-processed by Compound Discoverer 3.3 Software. The discrimination was analyzed by Principal Component Aanalysis, and Orthogonal Partial Least-square Discriminant Analysis. The chemical markers were identified by MS/MS fragments based on the fragment rules. The electronic tongue was utilized to determine the taste traits of Banxia and Qingbanxia. Furthermore, the taste-related material basis was discovered according to correlation analysis and molecular docking.RESULTS: Sixteen potential chemical markers of Banxia and Qingbanxia were identified. Lauryldiethanolamine is a unique bitter component. The taste spectrum of bitterness, sourness and umami changes significantly during the processing of Banxia, with sourness increasing and bitterness and umami decreasing.CONCLUSION: A new approach to explore the taste-related quality markers in alum-processed Banxia was established for the first time based on the Orbitrap MS technology and electronic tongue technology. The bitterness chemical markers were identified for the first time. The mechanism of the sourness of Qingbanxia was clarified. The identification of taste-related quality markers and the generation of comprehensive taste profiles offer an objective and reproducible method for assessing processing efficacy, overcoming the limitations of traditional subjective taste tests. These findings have significant implications for the quality control of Banxia and other traditional Chinese medicine.PMID:39987601 | DOI:10.1016/j.phymed.2025.156509

Biol Reprod. 2025 Feb 23:ioaf038. doi: 10.1093/biolre/ioaf038. Online ahead of print.ABSTRACTThis study investigated differences in uterine and serum metabolome associated with clinical cure failure of metritis in dairy cows. Metritis was diagnosed in lactating Holstein cows from two Florida dairies and defined by the presence of fetid, watery, reddish-brown vaginal discharge from 4 to 12 days postpartum (dpp). Cows with metritis (n = 24) were paired with cows without metritis of similar parity and dpp (n = 24). On the day of metritis diagnosis (day 0), all cows with metritis received antimicrobial therapy. The continued presence of the fetid, watery, reddish-brown discharge on day 5 (n = 16) was defined as clinical cure failure, whereas clinical cure was defined by its absence (n = 8). Metabolome analyses of uterine lavage (days 0 and 5) and serum samples (day 0) were conducted using untargeted gas chromatography time-of-flight mass spectrometry. Normalized data were analyzed using partial least squares-discriminant analysis and ANOVA, adjusting P-values for multiple comparisons. Differences in the uterine metabolome on day 0 associated with clinical cure failure were linked to carbohydrate, amino acid, and lipid metabolism. Greater concentrations of arachidonic acid, ribose, and glutaric acid were associated with clinical cure failure, suggesting a greater degree of tissue lesion and inflammation. No differences in the serum metabolome were associated with cure failure. No differences in uterine metabolome were associated with clinical cure failure on day 5. The findings suggest that clinical cure failure is associated with a greater uterine inflammatory process that did not persist until cure assessment day.PMID:39987553 | DOI:10.1093/biolre/ioaf038

J Biochem Mol Toxicol. 2025 Mar;39(3):e70165. doi: 10.1002/jbt.70165.ABSTRACTThis study aimed to investigate the impact of in vitro low-dose arachidonic acid (AA) addition on enhancing sperm motility in obese infertile men with asthenozoospermia. Semen samples were collected from 115 infertile men, categorized into two BMI groups: 18.5-23.9 kg/m2 and ≥ 28 kg/m2, with all subjects demonstrating a sperm concentration of ≥ 15 × 106/mL. These were further divided into four cohorts based on the percentage of sperm progressive motility (PR): control-normal, control-asthenozoospermia, obese-normal, and obese-asthenozoospermia. Normal PR was classified as ≥ 32%, while asthenozoospermia was characterized by PR < 32%. Metabolomic analysis was employed to quantify seminal plasma metabolites, with differential metabolites identified through statistical evaluation. Additionally, semen samples from 10 infertile men-5 with a body mass index (BMI) of 18.5-23.9 kg/m2 and 5 with a BMI of ≥ 28 kg/m2-underwent further scrutiny. Post-initial semen analysis, 1 mL of semen stock was extracted, treated with 100 pg of AA, incubated at 37°C for 1 h, and reanalyzed to determine the impact on sperm motility. Additionally, 16 Sprague Dawley (SD) rats were split into two groups: control and obese. The control group received a standard diet, while the obese group was subjected to a 45% high-fat diet. After 3 months, the rats were euthanized via cervical dislocation, and their prostate and seminal vesicles were collected for metabolite analysis. A comprehensive analysis of 4635 metabolites in seminal plasma revealed that bile acid secretion emerged as the most significant pathway within the organic systems category, accounting for 0.6% of the total metabolites. Meanwhile, metabolic pathways overwhelmingly dominated the metabolism category, with AA metabolism contributing 4.62%. Notably, 29 metabolites were associated with bile acid secretion, yet no significant differences were observed between the PR ≥ 32% and < 32% groups. In contrast, 214 metabolites were linked to AA metabolism, exhibiting a predominantly downregulated trend, with no upregulated metabolites identified. Within the seminal plasma AA metabolic network, indicators showed a positive association with the induced acrosome reaction, seminal plasma Ca2+ levels, PR, and the proportion of grade A sperm (rapid forward motion, speed ≥ 25 μm/s). Additionally, secretory phospholipase A2 (sPLA2), AA, and cyclooxygenase-1 (COX1) levels demonstrated a negative correlation with anthropometric measurement parameters in the Control-SP group, though this correlation did not reach statistical significance, while a positive correlation was evident in the Obesity-SP group. The concentrations of sPLA2, AA, and COX1 within the AA metabolic network exhibited the following trend: Control-SP-N > Obesity-SP-N > Control-SP-A > Obesity-SP-A. In vitro addition of 100 pg AA significantly enhanced the proportion of grade B sperm (slow-moving, speed < 25 μm/s) while reducing grade C sperm (non-forward-moving) in individuals with a BMI of 18.5-23.9 kg/m2 (p < 0.05). In contrast, for those with a BMI ≥ 28 kg/m2, a marked increase in grade A and grade B sperm and a corresponding reduction in grade C sperm was noted (p < 0.05). Human seminal plasma levels of sPLA2, AA, and COX1 were significantly elevated in the Control-SP group compared to the Obesity-SP group (p < 0.05). However, sPLA2, AA, and COX1 levels in the prostate and seminal vesicle of SD rats did not differ significantly between the Control and Obesity groups (p > 0.05). Distinct metabolic profiles in seminal plasma of infertile men, stratified by BMI, exhibit significant impacts on sperm quality. Low-dose AA, under physiological conditions, maintains sperm integrity and augments fertilization potential. In vitro administration of low-dose AA demonstrates superior effectiveness in enhancing sperm parameters, particularly in obese individuals with asthenozoospermia.PMID:39987515 | DOI:10.1002/jbt.70165

J Basic Microbiol. 2025 Feb 23:e70007. doi: 10.1002/jobm.70007. Online ahead of print.ABSTRACTUnderstanding bacterial genetics and metabolism is vital for developing biopesticides. This study investigates Bacillus subtilis NBAIR-BSWG1, a strain well known for its antagonistic potential. Crude lipopeptides extracted from the strain were evaluated for in vitro activity, showing complete inhibition of Rhizoctonia solani at a concentration of 50 μL/mL potato dextrose agar. To delve deeper into its antagonistic mechanisms, we conducted whole-genome sequencing of NBAIR-BSWG1 using Illumina NextSeq 500. Subsequent analysis with the BlastX diamond tool revealed 19 key biosurfactant genes, including surfactin (srfAA, srfAC, srfAD, srfP), fengycin (ppsE, ppsD, ppsC, ppsB), and putisolvin (dnaK), which were further confirmed by PCR using specific primers. Meanwhile, antiSMASH analysis revealed gene clusters with 100% similarity to those responsible for the synthesis of fengycin, bacilaene, bacillibactin, subtilosin A, and bacilysin, as well as clusters with 82% similarity to surfactin synthesis genes. Additionally, liquid chromatography-mass spectrometry was performed to analyze the cell-free extract produced by NBAIR-BSWG1, revealing the presence of various cyclic lipopeptides, including multiple peaks corresponding to surfactin, iturin, and several novel lipopeptide compounds. This study highlights B. subtilis NBAIR-BSWG1 cyclic lipopeptides as a key to broad-spectrum bio-control and establishes the strain as highly potent.PMID:39987492 | DOI:10.1002/jobm.70007

Metabolomics. 2025 Feb 22;21(2):32. doi: 10.1007/s11306-025-02227-1.ABSTRACTBACKGROUND: Despite the insights that metabolite analysis can provide into the onset, development, and progression of diseases-thus offering new concepts and methodologies for prevention, diagnosis, and treatment-traditional wet lab experiments are often time-consuming and labor-intensive. Consequently, this study aimed to develop a machine learning model named COM-RAN, which is based on a knowledge graph and random forest algorithm, to identify potential associations between metabolites and diseases.METHODS: Firstly, we integrated the known associations between diseases and metabolites. Secondly, we provided a synthesis of the extant data regarding diseases and metabolites, accompanied by supplementary information pertinent to these entities. Thirdly, knowledge graph-based embedded features were used to characterize disease-metabolite associations. Finally, a random forest algorithm was employed to construct a model for identifying potential disease-metabolite associations.RESULTS: The experimental results demonstrated that the proposed model achieved an Area Under the Receiver Operating Characteristic Curve (AUC) of 0.968 in 5-fold cross-validations, while the Area Under the Precision-Recall Curve (AUPR) was 0.901, outperforming the vast majority of existing prediction methods. The case studies corroborated the majority of the novel associations identified by COM-RAN, thereby further demonstrating the reliability of the current method in predicting the potential relationship between metabolites and diseases.CONCLUSION: The COM-RAN model demonstrated promise in predicting associations between diseases and metabolites, suggesting that integrating knowledge graphs with machine learning methodologies can significantly improve the accuracy and reliability of predictions related to disease-associated metabolites.PMID:39987424 | DOI:10.1007/s11306-025-02227-1

Metabolomics. 2025 Feb 22;21(2):33. doi: 10.1007/s11306-025-02231-5.ABSTRACTINTRODUCTION: Extracranial and intracranial tumors are a diverse group of malignant and benign neoplasms, influenced by multiple factors. Given the complex nature of these tumors and usually late or accidental diagnosis, minimally invasive, rapid, early, and accurate diagnostic methods are urgently required. Metabolomics offers promising insights into central nervous system tumors by uncovering distinctive metabolic changes linked to tumor development.OBJECTIVES: This study aimed to elucidate the role of altered metabolites and the associated biological pathways implicated in the development of gliomas and meningiomas.METHODS: The study was conducted on 95 patients with gliomas, 68 patients with meningiomas, and 71 subjects as a control group. The metabolic profiling of gliomas and meningiomas achieved by integrating untargeted metabolomic analysis based on GC-MS and targeted analysis performed using LC-MS/MS represents the first comprehensive study. Three comparisons (gliomas or meningiomas vs. controls as well as gliomas vs. meningiomas) were performed to reveal statistically significant metabolites.RESULTS: Comparative analysis revealed 97, 56, and 27 significant metabolites for gliomas vs. controls, meningiomas vs. controls and gliomas vs. meningiomas comparison, respectively. Moreover, among above mentioned comparisons unique metabolites involved in arginine biosynthesis and metabolism, the Krebs cycle, and lysine degradation pathways were found. Notably, 2-aminoadipic acid has been identified as a metabolite that can be used in distinguishing two tumor types.CONCLUSIONS: Our results provide a deeper understanding of the metabolic changes associated with brain tumor development and progression.PMID:39987409 | DOI:10.1007/s11306-025-02231-5

Arch Dermatol Res. 2025 Feb 22;317(1):460. doi: 10.1007/s00403-025-03942-4.ABSTRACTThis study investigates the causal relationships between plasma metabolites, immune cell phenotypes, and diabetic foot ulcer (DFU). A Mendelian randomization (MR) study was conducted, which included 731 immune cell phenotypes, 1400 metabolites, and DFU. The primary analytical approach was the inverse variance-weighted method. Sensitivity analyses were performed to assess heterogeneity and pleiotropy, and MR analyses in the reverse direction were conducted to examine the possibility of reverse causation. In addition, a mediation analysis was performed to reveal how metabolites mediate the impact of immune cells on DFU. Through MR, reverse MR and sensitivity analysis, the casualty was found in 17 immune cell phenotypes and 18 metabolites. A total of 15 mediating relationships were identified through mediation analysis, including 9 metabolites and 10 immune cell phenotypes. Among them, the highest mediation proportion was citrulline levels mediating CD24+ CD27+ AC (absolute count, B cell panel) to DFU, with a proportion of 11.60%. In conclusion, the study identified causal relationships between 10 immune cell phenotypes mediated by 9 metabolites. These discoveries offered fresh perspectives on the processes behind DFU and laid the groundwork for subsequent studies to create specific treatments for DFU.PMID:39987406 | DOI:10.1007/s00403-025-03942-4

Metabolomics. 2025 Feb 22;21(2):34. doi: 10.1007/s11306-025-02222-6.ABSTRACTMorels are edible fungi growing naturally in the wild and cultivated for food and medicines worldwide. They have been collected and consumed by people since ancient times. In the present study, fruiting bodies of Morchella elata were collected from the field during the years 2020-22 through consecutive field visits. Identification was carried out through a morpho-anatomical and phylogenetic study that confirmed the collected morel species as Morchella elata. The metabolic analysis was conducted using Ultra High-Performance Liquid Chromatography/Mass Spectrometry (UHPLC/MS) and FTICR/orbitrap techniques. The study revealed the presence of 159 organic compounds and 435 peptide sequences in the ascocarp. Different bioactive and significant compounds have been identified in the fruiting bodies of M. elata. This mushroom is highly nutritious, and the presence of these bioactive compounds contributes to its health benefits, making it a potential functional food in nutraceuticals. From the current study, it is concluded that M. elata is an edible, highly nutritive fungus and contains many bioactive contents. It could be used in the screening of bioactive substances useful in the preparation of anticancer drugs.PMID:39987365 | DOI:10.1007/s11306-025-02222-6

Arch Dermatol Res. 2025 Feb 22;317(1):463. doi: 10.1007/s00403-025-03978-6.ABSTRACTPsoriasis is a prevalent inflammatory dermatosis with possible systemic involvement. Metabolomics defines as an extensive study of all low molecular weight metabolites in human body which has recently led to better understanding of the pathogenesis of different disease. To evaluate the targeted lipidomics in sera of patients versus healthy controls. The study included 64 patients with psoriasis and 64 age- and sex-matched healthy controls. All the participants underwent a targeted lipidomics on their sera using Gas Chromatography with flame-ionization detection (GC-FID). The clinical importance of serum level of lipids was also dealt with. Serum level of all tested fatty acids (except for METHYL VACCENATE) in patients was higher than healthy controls, though this difference was significant only for METHYL PALMITATE, METHYL OLEATE and METHYL LINOLEATE (P values: 0.002, 0.001 and 0.001 respectively). Based on our results, the serum levels of METHYL OLEATE, METHYL LINOLEATE, METHYL PALMITATE and METHYL STEARATE could significantly be used for predicting the disease severity (P values: 0.009, < 0.005, 0.02 and 0.001, respectively). METHYL MYRISTOLEATE, METHYL 11-14-17-EICOSATRIENOATE and METHYL LINOLEATE were the fatty acids which their serum levels were significantly predictive of duration of disease (P values: 0.018, < 0.005 and 0.009, respectively). Our findings suggest that circulating specific lipids have different serum levels in psoriasis patients in comparison with healthy controls. We suggest the serum METHYL LINOLEATE as a potential biomarker to evaluate psoriasis severity and prognosis. However, comprehensive, long-term studies are essential for validating its prognostic value.PMID:39987344 | DOI:10.1007/s00403-025-03978-6

Biotechnol Biofuels Bioprod. 2025 Feb 22;18(1):22. doi: 10.1186/s13068-025-02619-4.ABSTRACTBACKGROUND: Lignocellulose is the most abundant renewable bioresource on earth, and its biodegradation and utilization would contribute to the sustainable development of the global environment. Ruminiclostridium papyrosolvens, an anaerobic, mesophilic, and cellulolytic bacterium, produces an enzymatic complex known as the cellulosome. As one of the most highly evolved species among Ruminiclostridium-type species, R. papyrosolvens is particularly relevant for understanding how cellulolytic clostridia modulate their biomass degradation mechanisms in response to diverse carbon sources.RESULTS: Our study investigates the transcriptional responses of Ruminiclostridium papyrosolvens to different carbon sources to understand its lignocellulose utilization. Using RNA-seq, we analyzed gene expression under glucose, cellobiose, xylan, cellulose, and corn stover, identifying distinct metabolic preferences and regulatory responses. We found significant gene expression changes under corn stover compared to other carbon sources, with enrichment in ABC transporters and cell growth pathways. CAZyme gene expression was regulated by TCSs, affecting sugar transporter systems. Metabolic profiling showed R. papyrosolvens produced more complex metabolites during corn stover fermentation, revealing its adaptability to various carbon sources and implications for metabolic engineering.CONCLUSION: This study not only uncovers the intricate response mechanisms of R. papyrosolvens to lignocellulose and its hydrolysates, but it also outlines the strategy for using R. papyrosolvens as a cellulolytic chassis in genetic engineering.PMID:39987219 | DOI:10.1186/s13068-025-02619-4

Microb Cell Fact. 2025 Feb 22;24(1):46. doi: 10.1186/s12934-025-02673-5.ABSTRACTBACKGROUND: Leuconostoc mesenteroides (L. mesenteroides) has known as an electrogenic probiotic bacterium. However, metabolites related to electro-fermentation in ferments of L. mesenteroides are not unveiled.RESULT: Electrogenic L. mesenteroides fermentatively metabolized bovine milk to dense ferments with homogeneous particle-size distribution. A non-targeted metabolomics approach was performed on non-fermented and L. mesenteroides-fermented milk. A total of 917 metabolites were identified and quantified by ultra-high performance liquid chromatography (UHPLC)-tandem mass spectrometry (MS-MS). Thirteen prokaryotic metabolic pathways associated with differentially expressed metabolites (DEMs) were revealed through Koto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. Anthranilic acid (AA) and 3-hydroxyanthranilin acid (3-HAA), potentially as electron donors, and quinolinic acid, an electron donor precursor, in the tryptophan kynurenine pathway were significantly increased in the fermented milk. Histidine, arginine, and riboflavin involved in bacterial survival or bioelectricity production were elevated after fermentation.CONCLUSIONS: Results indicate that electrogenic L. mesenteroides can mediate electro-fermentation to transform milk to a new nutritional source which is rich in electron donors reportedly acting as antioxidants.PMID:39987182 | DOI:10.1186/s12934-025-02673-5

Food Res Int. 2025 Mar;204:115825. doi: 10.1016/j.foodres.2025.115825. Epub 2025 Feb 6.ABSTRACTDrinking tea is beneficial to reduce the incidence of obesity. Unlike Fuzhuan brick tea (DT, a typical dark tea) widely reported to have good glycolipid-lowering activity (GLA), there is little information on GLA of Dancong summer tea (OT, a typical oolong tea). A comparative study on GLA and chemical compositions of OT and DT was systematically conducted. The results showed that OT had advantages in high content of polyphenols, leading to its better GLA including glycolipid digestion enzyme inhibitory activity and cholesterol micellar solubility inhibition activity than DT's. A total of 21 compounds mainly including catechins, flavonoids, phenolic acids and phenylpropanoids were screened as the key differentially active micromolecules (KDAM) by UPLC-QTOF-MS/MS-based untargeted metabolomic analysis combined with multivariate analysis, which resulted in the difference of GLA between OT and DT. Moreover, the high affinity capacity and interaction mode between KDAM with α-glucosidase/α-amylase/pancreatic lipase/cholesterol esterase were validated by molecular docking. Although the accumulation of polyphenols makes OT has a poor flavor as a beverage, our research demonstrated that OT with high content of polyphenols could be used in functional foods to facilitate the prevention of obesity.PMID:39986802 | DOI:10.1016/j.foodres.2025.115825

Food Res Int. 2025 Mar;204:115957. doi: 10.1016/j.foodres.2025.115957. Epub 2025 Feb 8.ABSTRACTDark tea has long been recognized for its health-promoting benefits, attributed to its complex phytochemical composition. However, the specific bioactive compounds responsible for these beneficial effects remain inadequately characterized. This study aimed to explore the impact of dark tea water extract (DTE) on digestive enzyme activity, antioxidant capacity, and glucose-lipid balance. DTE was fractioned into four fractions using gel separation, followed by analysis with high-performance liquid chromatography and quasi-targeted metabolomics. The 30 % ethanol elution (EEA) and 50 % ethanol elution (EEB) fractions showed stronger antioxidant and enzyme inhibition effects compared to the whole DTE. The EEA fraction was rich in 5 catechins and 26 additional phytochemicals, while the EEB fraction contained high levels of caffeine, ECG, and 29 other phytochemicals. Notably, significant correlations were observed between quercetin-3,4'-O-di-β-glucopyranoside and 3-(2-Naphthyl)-L-alanine with digestive enzyme inhibition. Cellular studies revealed the ability of EEA and EEB to reduce lipid accumulation, improve glycolipid metabolism, and alleviate oxidative stress by increasing SOD, CAT, and GSH levels while decreasing MDA and ROS in HepG2 cells. Furthermore, 34 flavonoids, 2 alkaloids, 2 terpenes, 2 alcohols and polyols, 2 phenylpropanoids and polyketides, 1 organoheterocyclic compound were directly linked to the antioxidant activity and the modulation of glucose and lipid levels. These findings offer valuable insights into the phytochemical profiles of dark tea and its potential health benefits.PMID:39986798 | DOI:10.1016/j.foodres.2025.115957

Food Res Int. 2025 Mar;204:115954. doi: 10.1016/j.foodres.2025.115954. Epub 2025 Feb 6.ABSTRACTAstringency is crucial in determining the taste quality of matcha, primarily influenced by flavonoids. However, the specific impact of cultivars and processing techniques on flavonoid composition remains unclear. This study employs quantitative descriptive analysis, multivariate statistical analysis, dose over threshold (Dot) values, and sensory verification to comprehensively analyze changes in flavonoid profiles during the processing of two cultivars (Longjing 43 and Zhongcha 108) and their effects on matcha's astringency. 679 flavonoid metabolites were identified, predominantly comprising flavones and flavonols. Longjing 43 fresh leaves predominantly contain glycosylated flavonoids, whereas Zhongcha 108 has a higher proportion of O-methylated modifications. Drying is a critical process, significantly boosting flavonoid glycoside content. Cultivar emerges as the primary and most influential factor determining matcha astringency, with processing techniques exerting a lesser impact. Furthermore, by utilizing Dot values and sensory verification, it was determined that quercetin-3-O-glucoside, kaempferol-3-O-rutinoside, (-)-epigallocatechin gallate, and kaempferol-3-O-glucoside are pivotal components of matcha's astringency.PMID:39986794 | DOI:10.1016/j.foodres.2025.115954

Food Res Int. 2025 Mar;204:115935. doi: 10.1016/j.foodres.2025.115935. Epub 2025 Feb 5.ABSTRACTKratom (Mitragyna speciosa Korth.), rich in mitragynine and polyphenols, suppresses and affects the metabolism of macronutrients, making it a functional ingredient in medical food for obese patients. This research focuses on the formulation of a kratom-supplemented medical food (MKT) and its effects on the gut microbiota of obese patients using in vitro fecal fermentation, as well as the production of their metabolites in a simulated human colon system. The 16S rRNA gene sequencing and studies on α- and β-diversity revealed favorable outcomes for MKT, demonstrating the promotion of beneficial bacteria and the suppression of pathogens in obese patients. However, the commercial medical food (MC) resulted in the production of more short-chain fatty acids. In conclusion, the developed kratom-supplemented formula shows potential for use in the diets of obese patients. However, further investigation through animal and human trials is needed to confirm its safety and effectiveness.PMID:39986781 | DOI:10.1016/j.foodres.2025.115935

Food Res Int. 2025 Mar;204:115926. doi: 10.1016/j.foodres.2025.115926. Epub 2025 Feb 4.ABSTRACTLycii Fructus (LF), commonly known as Goji berries, has shown potential for managing hyperuricemia, though its underlying mechanisms remain poorly understood. This study employs a combination of network-based systems pharmacology, computer-aided drug discovery, untargeted metabolomics and experiments to explore the urate-lowering effects of LF. Molecular docking simulations of 3,760 LF compound-target interactions identified xanthine dehydrogenase (XDH) as a key target. Among the compounds, glycitein exhibited the highest binding affinity in molecular dynamics simulations. Metabolomics confirmed the presence of glycitein in LF particles, and it significantly reduced urate levels in hyperuricemia zebrafish models. Further in vitro assays and Cellular Thermal Shift Assays corroborated its inhibitory effect on xanthine oxidase. These findings suggest that glycitein may serve as a novel inhibitor of xanthine oxidase, with potential applications in nutraceuticals, functional foods, and drug development for hyperuricemia.PMID:39986773 | DOI:10.1016/j.foodres.2025.115926

Food Res Int. 2025 Mar;204:115916. doi: 10.1016/j.foodres.2025.115916. Epub 2025 Feb 3.ABSTRACTIn vitro cell models are an effective way to evaluate the biological activities of functional compounds. Hesperetin (HST) is a flavanone with various potential health-related benefits, and encapsulation improved its stability and bioavailability. This study aimed to investigate the anti-inflammatory effects of encapsulated HST using different delivery systems, including β-cyclodextrin (CD), nanoliposomes (NL), and NL coated with chitosan (CH) and carrageenan (CGN). A Caco-2 and THP-1 co-culture model characterized by direct cell-to-cell contact was developed, and these delivery systems were digested in vitro and subsequently tested on this model. The addition of lipopolysaccharide (LPS) in the model resulted in high secretion of the pro-inflammatory cytokines (IL-8, TNF-α, and IL-1β), the upregulation of the phenotype genes (CD68 and CD80) and the inflammation-related genes (MYD88, NFκB, and COX-2), marking the differentiation of M0 macrophages into M1 macrophages. Among the delivery systems, HST encapsulated in CH and CGN coated NL (CGN-CH-NL-HST) was the most effective in suppressing the production of IL-8 and expression of MYD88 and COX-2 in the inflammatory co-culture model. Metabolomic data showed that the M1 macrophage metabolic profile was changed by applying free HST and encapsulated HST, mostly in glycolysis and amino acid metabolism. Encapsulated HST in the CGN-CH-NL delivery system showed anti-inflammatory activity in the Caco-2 and THP-1 direct co-culture model, suggesting a potential of encapsulated bioactive compounds in treating inflammatory bowel disease.PMID:39986769 | DOI:10.1016/j.foodres.2025.115916

Food Res Int. 2025 Mar;204:115921. doi: 10.1016/j.foodres.2025.115921. Epub 2025 Feb 4.ABSTRACTThe consumption of healthy food has become increasingly present and eating fresh, quality fruit is part of this trend. Nevertheless, the scarcity of fresh water and the increasing demand for food have been driving the search for more sustainable agricultural practices worldwide. In this context, cultivation with lower-quality water, characterized by a high concentration of salts, emerges as alternative to enhance water use efficiency and ensure food security in regions prone to water scarcity. In this regard, the aim of this work was to use an NMR-based metabolomics approach to investigate the growth and metabolomic profile of yellow melon fruits and leaf cultivated under water salinity conditions (1.5, 2.5, and 4.5 dS m-1). The research was conducted in a protected environment at Embrapa Agroindústria Tropical (3°44'S, 38°33'W, altitude 19.5 m, Fortaleza, Ceará, Brazil). Melon plants (yellow type, inodorous group, non-climacteric) were grown in 12 L pots filled with coconut fiber substrate and irrigated using a drip irrigation system. Salinity reduced fruit weight and metabolic activity, but did not significantly alter soluble solids content. Metabolic profile determinate by NMR showed that essential pathways in the leaves produced metabolites for defense, energy maintenance, and cellular integrity, minimizing the impact on fruit composition. Under salinity, hexoses (glucose and fructose) were more efficiently converted into sucrose, indicating that melon plants maintain its essential metabolism in leaves under saline stress, enhancing tolerance. The increased sucrose content in the fruit, important for consumers, is preserved, making melon a viable option for implementation of efficient water use strategies.PMID:39986767 | DOI:10.1016/j.foodres.2025.115921