Integrative Molecular Phenotyping
INTEGRATIVE MOLECULAR
PHENOTYPING
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY

PubMed

Light/dark synergy enhances cyanophycin accumulation in algal-bacterial consortia: Boosted strategy for nitrogen recovery from wastewater

Sat, 01/03/2025 - 12:00
Bioresour Technol. 2025 Feb 27:132309. doi: 10.1016/j.biortech.2025.132309. Online ahead of print.ABSTRACTRecovering the nitrogen-rich biopolymer cyanophycin [(β-Asp-Arg)n] from algal-bacterial consortia enhances the reclamation of value-added chemicals from wastewater. However, the modulation of light/dark conditions on cyanophycin accumulation remain unknown. In this study, the trends and mechanisms of cyanophycin synthesis in algal-bacterial consortia under light/dark conditions were investigated. The results showed that cyanophycin production during the dark periods ranged from 137-150 mg/g MLSS (mixed liquid suspended solids), which was 32 %-38 % higher than those during the light period (p < 0.001). Metatranscriptomics results demonstrated that 50 metagenome-assembled genomes contribute to cyanophycin production, with the Planktothrix genus being the dominant contributor. Metabolomics findings suggested that algal-bacterial consortia produce higher level of arginine for cyanophycin synthesis under light conditions. This study demonstrates the feasibility of increasing cyanophycin production by merging light/dark cycles, and offers a novel strategy for high yield of valuable biopolymers from wastewater substrate.PMID:40023333 | DOI:10.1016/j.biortech.2025.132309

The interplay between oxidative stress and inflammation supports autistic-related behaviors in Cntnap2 knockout mice

Sat, 01/03/2025 - 12:00
Brain Behav Immun. 2025 Feb 27:S0889-1591(25)00070-4. doi: 10.1016/j.bbi.2025.02.030. Online ahead of print.ABSTRACTAutism Spectrum Disorder (ASD) is a highly prevalent neurodevelopmental condition characterized by social communication deficits and repetitive/restricted behaviors. Several studies showed that oxidative stress and inflammation may contribute to ASD. Indeed, increased levels of oxygen radicals and pro-inflammatory molecules were described in the brain and peripheral blood of persons with ASD and mouse models. Despite this, a potential direct connection between oxidative stress and inflammation within specific brain areas and ASD-related behaviors has not been investigated in detail yet. Here, we used RT-qPCR, RNA sequencing, metabolomics, immunohistochemistry, and flow cytometry to show that pro-inflammatory molecules were increased in the cerebellum and periphery of mice lacking Cntnap2, a robust model of ASD. In parallel, oxidative stress was present in the cerebellum of mutant animals. Systemic treatment with N-acetyl-cysteine (NAC) rescued cerebellar oxidative stress, inflammation, as well as motor and social impairments in Cntnap2-/- mice, concomitant with enhanced function of microglia cells in NAC-treated mutants. Intriguingly, social deficits, cerebellar inflammation, and microglia dysfunction were induced by NAC in Cntnap2+/+ animals. Our findings suggest that the interplay between oxidative stress and inflammation accompanied by genetic vulnerability may underlie ASD-related behaviors in Cntnap2 mutant mice.PMID:40023202 | DOI:10.1016/j.bbi.2025.02.030

Simultaneous detection of volatile and non-volatile metabolites in urine using UPLC-Q-Exactive Orbitrap-MS and HS-SPME/GC-HRMS: A promising strategy for improving the breast cancer diagnosis accuracy

Sat, 01/03/2025 - 12:00
Talanta. 2025 Feb 23;291:127812. doi: 10.1016/j.talanta.2025.127812. Online ahead of print.ABSTRACTBreast cancer (BC) is the primary cause of cancer-related deaths in women. Currently, the discovery of biomarkers primarily relies on single platform, which might overlook other potential biomarkers and lead to inaccurate diagnoses. This study aims to: (1) expand the detection range of biomarkers through multiple analytical techniques, thereby improving the accuracy of BC diagnosis, and (2) analyze the metabolic pathways of the biomarkers to explore the metabolic mechanisms underlying BC. Urine samples from BC patients and healthy controls were analyzed using two techniques: Ultra-high performance liquid chromatography combined with Quadrupole-Exactive-Orbitrap mass spectrometry (UPLC-Q-Exactive Orbitrap-MS), and headspace solid-phase microextraction combined with gas chromatography-high resolution mass spectrometry (HS-SPME/GC-HRMS). Data from each platform was analyzed independently using both univariate and multivariate statistical approaches to identify candidate biomarkers. Subsequently, a mid-level data fusion approach was applied to integrate the candidate biomarkers identified by each platform. The fused data were used to construct orthogonal partial least squares discriminant analysis (OPLS-DA) models and random forest (RF) models, which were then compared against models based on individual platform. The fused RF and OPLS-DA models demonstrated enhanced diagnostic accuracy compared to the individual model. Integrating GC-HRMS and UPLC-Q-Exactive Orbitrap-MS achieved the best performance, with an AUC value of 0.967, sensitivity of 86.37 %, and specificity of 89.19 %. Metabolic pathway analysis revealed that 10 metabolic pathways exert an impact on BC. Four pathways-pyruvate metabolism, sulfur metabolism, taurine and hypotaurine metabolism, and tyrosine metabolism-were found to be associated with BC in both metabolomics and volatolomics studies, indicating that these pathways play pivotal roles in BC. This study confirmed the potential of merging multi-platforms to enhance the accuracy of BC diagnosis, offering new avenues for understanding the metabolic mechanisms of BC.PMID:40023122 | DOI:10.1016/j.talanta.2025.127812

Triterpenoids from ilicis rotundae cortex ameliorate hyperlipidemia by affecting bile acids-hepatointestinal FXR axis

Sat, 01/03/2025 - 12:00
Phytomedicine. 2025 Feb 20;139:156537. doi: 10.1016/j.phymed.2025.156537. Online ahead of print.ABSTRACTBACKGROUND: Hyperlipidemia is a lipid metabolism disorder that, in severe cases, can lead to conditions such as hypertension, coronary heart disease, and cirrhosis. Previous studies have identified Ilicis Rotundae Cortex (IRC) crude extract as having the potential to regulate blood lipids. However, whether the triterpenoids therein are the principal agents responsible for hypolipidemic effects and their specific mechanisms of action remain unexplored. This study aimed to investigate the effects of total triterpenoids (TT) extract derived from IRC on hyperlipidemia and to elucidate their potential mechanisms.METHODS: TT extract was first prepared and characterized to assess their hypolipidemic activity in cell models. A hyperlipidemia mouse model was established by using C57BL/6 J mice fed a high-fat, high-sugar, and high-cholesterol diet for 8 weeks. TT extract was administered as a prophylactic intervention for 4 weeks to evaluate its impact on blood lipid levels, liver lipid metabolism, and liver function. Based on progressive analysis, this study integrated serum non-targeted metabolomics analysis strategy and bile acids-targeted metabolomics analysis strategy. It was combined with modern molecular biology techniques to reveal the mechanism by which TT extract ameliorated the symptoms of hyperlipidemia through a cascade approach.RESULTS: TT extract treatment significantly reduced lipid levels in hyperlipidemic mice. Notably, TT extract down-regulated bile acid levels, particularly bile acids as FXR antagonists such as T-β-MCA, β-MCA, TUDCA, and UDCA. This effect is likely mediated through alterations in the hepatic FXR-SHP and ileal FXR-FGF15 signaling pathways. TT extract administration led to decreased expression of CYP7A1 and CYP7B1, resulting in reduced bile acid levels in vivo. Additionally, FXR expression was upregulated in both the liver and ileum, potentially activating FGF15 in the ileum, which in turn transmits signals to the liver and modulates SHP and BSEP expression. These changes contribute to the regulation of bile acid synthesis, metabolism, and excretion. In vitro experiments also demonstrated that TT extract influenced the protein expression of FXR and FGF19.CONCLUSION: Our findings demonstrate that TT extract from IRC has hypolipidemic effects. This study is the first to reveal the mechanism by which TT extract improves hyperlipidemia from the perspective of the hepatic-intestinal axis and bile acid metabolism. Its underlying mechanism is related to activating the intestinal FXR-FGF15/19 signaling pathway, which transmits signals to the liver, thereby affecting the hepatic FXR-SHP signaling pathway. This results in improved bile acid metabolism, ultimately reducing hepatic injury and ileal inflammation to exert hypolipidemic effects.PMID:40023069 | DOI:10.1016/j.phymed.2025.156537

Multilayered visual metabolomics analysis framework for enhanced exploration of functional components in wolfberry

Sat, 01/03/2025 - 12:00
Food Chem. 2025 Feb 25;477:143583. doi: 10.1016/j.foodchem.2025.143583. Online ahead of print.ABSTRACTWolfberry, regarded as a nutritious fruit, has garnered significant attention in the food industry due to potential health benefits. However, the tissue-specific distribution and dynamic accumulation patterns of nutritional metabolites such as flavonoids are still unclear. In this study, a novel spatial metabolomics framework was developed, incorporating instrumental optimization, metabolite identification, molecular network analysis, metabolic pathway mapping, and machine learning-based imaging. Using DESI-MSI, this approach enabled rapid, non-destructive, in situ analysis of wolfberry metabolites with enhanced sensitivity and spatial resolution. Detailed insights into chemical and spatial changes during ripening were obtained, with a focus on flavonoids. The visualization of the flavonoid biosynthetic pathway highlighted the impact of C-3 hydroxylation on flavonoid redistribution. Furthermore, a classification model achieved a prediction accuracy exceeding 99 %, consistent with metabolic network analyses. This framework provides a powerful tool for plant metabolomics, facilitating the exploration of functional components and metabolic pathways.PMID:40023033 | DOI:10.1016/j.foodchem.2025.143583

Basil chilling injury: Oxidative stress or energy depletion?

Sat, 01/03/2025 - 12:00
Food Chem. 2025 Feb 25;477:143581. doi: 10.1016/j.foodchem.2025.143581. Online ahead of print.ABSTRACTBasil (Ocimum basilicum L.) is susceptible to chilling injury (CI), leading to significant postharvest quality loss. This research aimed to identify key metabolites involved in CI of basil during cold storage to better understand the underlying mechanisms. Metabolite profiles of basil leaves stored at 4 and 12 °C for up to 12 days were quantified by 1H NMR and GC-MS. At 4 °C shelf life was reduced due to CI. At 4 °C, several osmoprotectants, including proline, gamma-aminobutyric acid, trehalose and myo-inositol increased, whereas antioxidants like ascorbic acid and rosmarinic acid decreased; the latter likely due to scavenging reactive oxygen species. During chilling stress, antioxidant defence pathways were upregulated and carbohydrate related energy pathways were downregulated. We suggest that CI in basil associates with redirection of carbohydrate flux towards antioxidant defence systems, leading to energy depletion. This energy depletion is hypothesized as a primary trigger for CI in postharvest basil.PMID:40023032 | DOI:10.1016/j.foodchem.2025.143581

Identification of key precursors of eugenol and Syringol in wines using a Pseudo-targeted Metabolomic approach

Sat, 01/03/2025 - 12:00
Food Chem. 2025 Feb 23;477:143552. doi: 10.1016/j.foodchem.2025.143552. Online ahead of print.ABSTRACTElevated levels of eugenol and syringol in wines have been observed to impart a smoky, medicinal, and spicy aroma, particularly in wines produced from East Asian species. The precursors of these compounds remain to be elucidated. Therefore, a novel pseudo-targeted metabolomic approach was proposed to screen the key precursors of eugenol and syringol in grape berries. Subsequently, the identified precursors were validated through hydrolysis experiments. The results demonstrated that the key precursors of eugenol were four glycosidic forms present in the berry, including eugenol-β-D-rutinoside, eugenol-dihexose, eugenol-hexose-pentose, and eugenol-hexose glucoside. Similarly, the key precursors of syringol were five glycosidic forms of syringol present in the berry, which included two syringol-dihexoses, two syringol-hexose-deoxyhexoses, and one syringol-hexose-pentose. The pseudo-targeted metabolomic approach proved an effective methodology in this study, offering alternative insights that could inform similar investigations.PMID:40023029 | DOI:10.1016/j.foodchem.2025.143552

Integration of UHPLC-MS and mass spectrometry imaging techniques revealed the protective mechanism of Gushudan in postmenopausal osteoporosis rats via branched-chain amino acid metabolism based on the 'kidney-bone' axis

Sat, 01/03/2025 - 12:00
J Chromatogr B Analyt Technol Biomed Life Sci. 2025 Feb 26;1256:124540. doi: 10.1016/j.jchromb.2025.124540. Online ahead of print.ABSTRACTAccording to the theory of traditional Chinese medicine, the kidney is regarded as governing the bones and dominating the storage of essence. Gushudan (GSD) is a traditional Chinese medicine prescription that has the effects of strengthening bone and nourishing the kidney. However, the mechanism of action of GSD in preventing postmenopausal osteoporosis (PMOP) rats based on the 'kidney-bone' axis remains to be further systematically investigated. In this study, an integrated kidney metabolomics method based on three MS detection modes of UHPLC-HRMS, UHPLC-MS/MS and AFADESI-MSI was developed to reveal the protective mechanism of GSD in PMOP rats. Firstly, the non-targeted metabolomics was investigated to comprehensively explore the metabolic changes in the kidneys of PMOP rats based on the UHPLC-Q-Orbitrap HRMS. Subsequently, UHPLC-MS/MS targeted metabolomics and Mass Spectrometry Imaging (MSI) techniques were combined to elucidate the preventive mechanism of GSD on PMOP through branched-chain amino acid (BCAA) metabolism. The results of the non-targeted metabolomics demonstrated that GSD significantly modulated the levels of 67 potential biomarkers, including leucine and valine, which are primarily involved in amino acid metabolism. Specifically, BCAA metabolism is notably enriched in amino acid metabolism. Compared to the control group, it was found that the levels of BCAAs were decreased and α-branched-chain keto acids (BCKAs) were increased in the model groups in the targeted metabolomics study. Moreover, MSI results showed that the changes in BCAAs content were mainly concentrated in the renal cortex. This finding confirmed the metabolic disorders of BCAA in the renal cortex of PMOP rats, and that GSD had a significant regulatory effect on this disorder. In conclusion, this study integrated three mass spectrometry techniques that validate and complement each other to revealed the anti-osteoporostic mechanism of GSD in PMOP rats and to elucidate the modern scientific connotation of the 'kidney-bone' axis based on the BCAA metabolism.PMID:40023006 | DOI:10.1016/j.jchromb.2025.124540

Decoding xenia effects on 'Jinsha' pomelo: Insights from physiological, transcriptomics and metabolomics analyses

Sat, 01/03/2025 - 12:00
Plant Physiol Biochem. 2025 Feb 21;222:109654. doi: 10.1016/j.plaphy.2025.109654. Online ahead of print.ABSTRACT'Xenia' is the terminology and biology of direct, or immediate, pollen effects on seeds and fruits. In this study, we found that the pollination of 'Jinsha' pomelo (JS) with pollen from Grapefruit (GR) and 'Majia' pomelo (MJ) led to significant differences in the seed numbers and primary metabolite (soluble sugar and amino acid). In pollinated pistils, the differences in the number of pollen tubes entering the embryo sac and the content of cytokinin components at 5 d post-pollination between the two pollen sources might be the important factor contributing to the discrepancies of seed trait and further affected fruit quality. In addition, joint analysis result of metabolomics and transcriptomics showed that the down-regulated expression of genes in the sucrose and starch metabolism pathways, glycolysis pathway and amino acid metabolism pathway of JS × MJ fruit compared to those of JS × GR fruit might also be resulted in an increase in the content of fructose and glucose and a decrease in the content of a large number of free amino acid components. This study revealed the reasons for the changes in seed and fruit characteristics induced by the xenia effect under two different pollen sources, and the hub genes novel.155 (HK), Cg2g040280 (bglX), Cg4g020710 (ISA), and Cg3g021210 (P4HA) were obtained by co-expression network analysis.PMID:40022882 | DOI:10.1016/j.plaphy.2025.109654

Metabolomics combined with network pharmacology reveals the effects of ripening stages and edible parts on bioactive ingredients of Luohan Guo (Siraitia grosvenorii)

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115896. doi: 10.1016/j.foodres.2025.115896. Epub 2025 Jan 31.ABSTRACTLuohan Guo (Siraitia grosvenorii) is a traditional food homologous fruit in China, which is famous owing to its rich natural antioxidant secondary metabolites. However, the impacts of ripening stages and edible parts on high-resolution metabolic profiles of Luohan Guo are poorly understood till now, greatly limiting its comprehensive utilization. In this study, an LC-QTOF/MS-based non-targeted metabolomics approach was carried out to reveal the dynamic accumulation of metabolites in the peel and pulp of Luohan Guo across seven growth stages, and further revelation their potential pharmacological activities and mechanisms in the treatment of oxidative stress using the network pharmacology strategy. The results demonstrated that the majority of bioactive ingredients showed great accumulation at the immature stages in both peels and pulps, and the levels of flavonoid glycosides and terpenoid saponins gradually declined as ripening progressed. Notably, the comparative analysis between the full-blown peel and pulp indicated that the peel had higher concentrations of flavonoids, phenols, and alkaloids, whereas terpenoids and amino acids were the significantly enriched bioactive ingredients in the pulp. In addition, network pharmacology analysis screened 28 key pharmacological compounds in Luohan Guo, which primarily acted on 65 core targets to alleviate diseases induced by oxidative damage and predominantly accumulated in the peels collected between the 10th and 20th days, endowing immature peel with the best antioxidant properties. These findings offer valuabley theoretical insights for understanding the secondary metabolite accumulation in different ripening stages and edible parts of Luohan Guo and improving its comprehensive utilization rate.PMID:40022403 | DOI:10.1016/j.foodres.2025.115896

American ginseng fruit: Antioxidant capacity, bioactive components, and biosynthesis mechanism during development

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115884. doi: 10.1016/j.foodres.2025.115884. Epub 2025 Jan 30.ABSTRACTAmerican ginseng (Panax quinquefolius) is considered as a functional food and a medicinal plant, with its fruit containing valuable bioactive ingredients. However, limited knowledge is available regarding its antioxidant capacity, variation in bioactive components, and biosynthetic pathways at various growth stages. The present study examined the in vitro antioxidant capacity of the American ginseng fruit from Wendeng, Shandong at various growth stages, and conducted metabolomic as well as transcriptomic analyses to elucidate the accumulation patterns and biosynthesis of bioactive compounds. The results showed that antioxidant capacity, total flavonoid content (TFC), and total phenolic content (TPC) in fruits at early, middle, and late developmental stages were significantly higher than those in 4-year-old ginseng roots. Notably, fruits at the early developmental stage exhibited the highest antioxidant capacity, which initially declined and subsequently increased as the fruits continued to grow and develop. TFC and TPC were closely correlated with antioxidant capacity in fruits. Widely targeted metabolomics identified 1,094 metabolites with significant changes throughout fruit development, including 223 terpenoids, 164 phenolic acids, and 149 flavonoids. A total of 139 metabolites were closely associated with antioxidant activity in the American ginseng fruits. Furthermore, several genes, such as DFR, LDOX, F3H, CHI, DDS, CYP, UGT, BAHD, as well as MYB, bHLH, and NAC transcription factors (TFs) were identified to be potentially associated with the fruit flavonoids and ginsenosides biosynthesis and their corresponding regulatory networks. The findings provid valuable insights for enhancing the development and utilization of American ginseng fruits as functional foods as well as advancing their quality and breeding practices.PMID:40022396 | DOI:10.1016/j.foodres.2025.115884

Effects of luxS gene on biofilm formation and fermentation property in Lactobacillus plantarum R

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115862. doi: 10.1016/j.foodres.2025.115862. Epub 2025 Feb 1.ABSTRACTThe biofilm formation of Lactobacilli is regulated by the LuxS/AI-2 quorum sensing (QS) system, but the mechanism of QS regulating the formation of Lactobacilli biofilm is not clear. This study aimed to investigate the mechanism of producing biofilm in L. plantarum R and its effect on the quality of fermented pickles based on LuxS/AI-2 QS system. Compared with L. plantarum R, the AI-2 activity of L. plantarum RΔluxS was significantly reduced, but the biofilm, extracellular protein, and eDNA were significantly increased. Moreover, expression of oppA, livJ, livH and comD genes was up-regulated and luxS, peg.3090 and peg.3093 was down-regulated. Results showed that peg.3093 was most significantly down-regulated in L. plantarum RΔluxS, and extremely significant negatively correlated with biofilm. The biofilm, eDNA, and extracellular protein of L. plantarum RΔpeg.3093 was higher than those of L. plantarum R. Moreover, metabolomics showed that deletion of luxS gene could decrease AI-2 level, promote anthocyanin and flavonol biosynthesis, lead to improving the antioxidant properties and quality of pickles. Thus, luxS gene knockout may increase biofilm by down-regulating the expression of peg.3093 to increase extracellular protein and eDNA. This study provides a theoretical basis for the enhancement of Lactobacillus biofilm and its application.PMID:40022384 | DOI:10.1016/j.foodres.2025.115862

Decoding microbiota and metabolite transformation in inoculated fermented suansun using metagenomics, GC-MS, non-targeted metabolomics, and metatranscriptomics:Impacts of different Lactobacillus plantarum strains

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115847. doi: 10.1016/j.foodres.2025.115847. Epub 2025 Jan 24.ABSTRACTUsing metagenomics, GC-MS, non-targeted metabolomics, and metatranscriptomics, we investigated the microbial communities and metabolites in two different Lactobacillus plantarum fermentations. Metagenomics revealed Weissella cibaria dominantly contributed to the DACN766-fermented suansun (LPS1) and Lactiplantibacillus pentosus to the DACN760-fermented suansun (LPS2). GC-MS identified 38 and 40 flavor compounds in LPS1 and LPS2, respectively, with p-cresol, 4-hydroxybenzaldehyde, acetic acid, hexanal, and propionic acid crucial for aroma development. LPS2 exhibited higher levels of p-cresol and acetic acid, contributing to its stronger sour and pungent flavors, which was achieved by regulating many metabolisms like glycolysis and tyrosine metabolism. In contrast, Weissella cibaria plays a role in mitigating off-flavors, resulting in a milder flavor profile in LPS1. Non-targeted metabolomics indicated 70.78% of differential metabolites were upregulated in LPS1. Conversely, the elevated expression of tryptophan and tyrosine underscores the more pronounced sour and odor-producing characteristics observed in LPS2. Metatranscriptomics highlighted the regulation of genes like XFA, XFT, and XFM, which inhibit the formation of the precursors of p-cresol and indole in LPS2. This integrated multi-omics analysis provides deep insights into the fermentation dynamics, facilitating the targeted selection of Lactobacillus plantarum strains with flavor-regulating capabilities.PMID:40022370 | DOI:10.1016/j.foodres.2025.115847

Integrated microbiome and metabolomics analysis of spoilage characteristics of modified atmosphere packaged pork

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115827. doi: 10.1016/j.foodres.2025.115827. Epub 2025 Jan 22.ABSTRACTThe interactions between pork microbial communities and metabolites in modified atmosphere packaged (MAP) storage remain unclear. This study exposed the core microbial communities and metabolite profiles during refrigerated pork storage under MAP and illuminated the relationship between them by high-throughput sequencing and non-targeted metabolomics to comprehend the spoilage mechanism induced by microbial activity in MAP pork during storage. The results showed that Pseudomonas and Serratia were the predominant spoilage bacteria in the preliminary stages of refrigerated pork, while Brochothrix gradually dominated in the final stages of storage. 76 differential metabolites were identified from 822 metabolites, consisting of small-molecule metabolites including glycerophospholipids, bitter amino acids, amines, and nucleotides. The metabolic pathways involved in these metabolites were 10 metabolic pathways inclusive of purine metabolism, nucleotide metabolism, and glycerophospholipid metabolism. Correlation results revealed that bacterial genera like Pseudomonas, Brochothrix, Stenotrophomonas, Acinetobacter, and Aeromonas were significantly correlated with metabolites such as lipids, organic acids and nucleotides. These findings enhance our understanding of the spoilage mechanism of refrigerated pork stored in MAP.PMID:40022351 | DOI:10.1016/j.foodres.2025.115827

A systematic comparative analysis of ginger-related varieties from three dimensions based on HS-SPME-GC-Q-TOF MS and UHPLC-LTQ-Orbitrap MS

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115820. doi: 10.1016/j.foodres.2025.115820. Epub 2025 Jan 22.ABSTRACTGinger is extensively utilized in culinary and traditional medicine worldwide. This study presents a comparative analysis on ginger-related varieties from different species, growth stages, processing methods and geographical origins using headspace solid-phase microextraction gas chromatography quadrupole time-of-flight mass spectrometry (HS-SPME-GC-Q-TOF MS) and ultra-high performance liquid chromatography linear-ion-trap-quadrupole orbitrap MS (UHPLC-LTQ-Orbitrap MS). A total of 120 volatiles and 377 non-volatiles were annotated. Metabolomics revealed 44 differential components to discriminate six Zingiberaceae species. Among them, ginger contained the highest levels of chemical components. Additionally, 44 components were found to completely distinguish two growth stages and four processing forms of ginger. As ginger matures, changes in volatiles become more pronounced, while significant differences in non-volatiles were observed across processing stages. Moreover, ginger from three regions was compared, and ginger from Western was found to have more abundant non-volatiles and a higher qualification rate (Yunnan 100 % vs. Fujian 33 %, Henan 15 %). This study maps the chemical profile of ginger and related varieties, providing insights for development of novel products and informing decisions in cultivation, production, and purchasing.PMID:40022347 | DOI:10.1016/j.foodres.2025.115820

Microbial and chemical diversity analysis reveals greater heterogeneity of Liubao tea than ripen Pu-erh tea

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115808. doi: 10.1016/j.foodres.2025.115808. Epub 2025 Jan 21.ABSTRACTLiubao tea and ripen Pu-erh tea are representatives of dark tea in southern China. The two dark teas are famous for unique flavors, but confusingly different in development status of tea industry. In this study, microbial DNA amplification sequencing and mass spectrometry-based untargeted metabolomics were applied to observe significant differences in microbial community structure and metabolite profile between the two teas. The Shannon indices of fungi and metabolites in Liubao tea are higher than those in ripen Pu-erh tea. The dominant bacterial and fungal genera, as well as microbial biomarkers of Liubao tea and ripen Pu-erh tea were identified. The combined statistical and molecular networking analysis shows flavan-3-ols as the discriminating features between metabolite profiles of the two dark teas in level of metabolite family. More importantly, the α and β diversity analysis reveals higher pairwise Shannon index differences and Canberra distances of both microbes and metabolites in Liubao tea than those in ripen Pu-erh tea, indicating greater heterogeneity, or lower quality stability of Liubao tea products. These findings illustrate way to improve protocols of Liubao tea processing, and show urgency of involving molecular networking in workflow of metabolomics research.PMID:40022336 | DOI:10.1016/j.foodres.2025.115808

Machine learning-based classification and prediction of typical Chinese green tea taste profiles

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115796. doi: 10.1016/j.foodres.2025.115796. Epub 2025 Jan 27.ABSTRACTThe taste of Chinese green tea is highly diverse. In this study, a combination of unsupervised and supervised learning methods was utilized to develop a model for classifying and predicting typical Chinese green tea taste. Three clustering methods were assessed based on quantitative descriptive analysis (QDA) results, with the Hierarchical-K means method chosen to classify 88 tea infusions into seven distinct taste types. Electronic tongue sensors, near-infrared spectroscopy, and metabolomics, along with the analysis of key chemical constituents, were applied to construct various datasets as model data. The performance of four multivariate statistical methods and six artificial intelligence algorithms was compared across the three datasets. Dataset 3, comprising chemical components, taste activity value (Tav), and their ratios, achieved the highest accuracy. The random forest (RF) model achieved the highest accuracy (0.98) and Kappa value (0.97) in predictions. The results indicate that key chemical components, Tav, and their relationships are more critical for classifying green tea taste. This study can provide a more accurate representation and prediction of typical Chinese tea taste profiles from a consumer standpoint. Significant variations in sensory attributes and chemical composition were observed among the identified taste categories, with the MU type displaying the lowest TavTC (total Tav of catechins)/TavTAA (total Tav of amino acids) ratio, indicating the strongest umami and sweetness characteristics. The findings of this study offer the potential for the development of personalized tea products, thereby contributing to an enhanced consumer experience.PMID:40022327 | DOI:10.1016/j.foodres.2025.115796

Cork impact on red wine aging monitoring through (1)H NMR metabolomics: A comprehensive approach

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115772. doi: 10.1016/j.foodres.2025.115772. Epub 2025 Jan 17.ABSTRACTCork stoppers have a significant impact on aging as a place of gas exchange. This study investigates the effects of different cork closures on red wines using 1H NMR metabolomics approach. The objective is to understand how different cork stoppers affect the chemical evolution of wine during aging. Six Syrah wines from the Côtes du Rhône and Languedoc-Roussillon regions, matured in either steel tanks or oak barrels, were bottled with four micro-agglomerated cork stoppers. Over 24 months, wines were analyzed using 1H NMR spectroscopy. Data were processed using multivariate analyses: principal component analysis (PCA), hierarchical cluster analysis (HCA), and orthogonal projections to latent structures discriminant analysis (OPLS-DA). The analyses revealed significant changes along the wine aging process. Distinct chemical signatures were identified for wines at the initial and 24-month stages. At the initial stage, wine maturation conditions, stainless steel tank or oak barrel, seem to impact wine constituents, including methanol, ethyl lactate, acetic acid, myo-inositol, and isobutanol. Finally, corks with higher oxygen transfer rate (OTR) showed higher content in acetoin, suggesting its application as an oxygenation marker of wines. The findings highlight the complex role of cork permeability in red wine aging, suggesting that the choice of cork can be strategically used to steer the aging process and enhance wine quality.PMID:40022317 | DOI:10.1016/j.foodres.2025.115772

Integrated transcriptomics and metabolomics reveal changes during Streptococcus thermophilus JM66 fermentation in milk: Fermentation characteristics, flavor profile, and metabolic mechanism

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115770. doi: 10.1016/j.foodres.2025.115770. Epub 2025 Jan 27.ABSTRACTMicrobial metabolism influences the physicochemical properties and flavor compound formation in fermented milk during fermentation. Streptococcus thermophilus is one of the primary fermentation strains used in fermented milk production. Herein, we investigated the fermentation characteristics, flavor profiles, and associated metabolic mechanisms of Streptococcus thermophilus JM66 in milk matrix through multi-stage dynamic monitoring and multi-omics techniques. A total of 66 volatile metabolites were identified across three fermentation stages of S. thermophilus JM66, with ketones (such as acetoin and nonanone) being the predominant flavor metabolites in the fermented milk. Metabolomic analyses revealed an increase in pyruvic acid, L-lactic acid, 2-hydroxybutyric acid, D-proline, and L-tyrosine, alongside a decrease in D-arginine, L-aspartic acid, and acetoacetyl-CoA, which were enriched in pyruvate metabolism, butanoate metabolism, amino acid metabolism and fatty acid metabolism. Furthermore, integrating transcriptomic results, high expression of LDH, budC and genes related to glycolysis, urea cycle and fatty acid biosynthesis promoted compound metabolism and flavor development. This comprehensive analysis of S. thermophilus JM66 provides a theoretical foundation for its future application as a starter culture or in strain mutagenesis aimed at enhancing fermentation characteristics.PMID:40022315 | DOI:10.1016/j.foodres.2025.115770

Identification of the key tryptophan metabolic characteristics of Lactiplantibacillus plantarum for aryl hydrocarbon receptor activation and ulcerative colitis alleviation

Sat, 01/03/2025 - 12:00
Food Res Int. 2025 Feb;203:115766. doi: 10.1016/j.foodres.2025.115766. Epub 2025 Jan 23.ABSTRACTLactiplantibacillus plantarum can activate aryl hydrocarbon receptor (AHR) signaling in the gut by metabolizing tryptophan, thereby counteracting inflammation. However, the tryptophan metabolic characteristics of microorganisms are strain-specific and significantly influence their AHR-activating effects. In this study, four strains with different tryptophan metabolic profiles were screened, and a dextran sulfate sodium-induced colitis model was established in C57BL/6 mice. The key tryptophan metabolic characteristics of L. plantarum involved in AHR downstream signaling activation to alleviate colitis were explored. The results showed that strain SFFI50, characterized by poor tryptophan metabolism, and strain SFFI175, which produced high levels of IAA and ICA, did not alleviate colitis. Strain SFFI118, capable of metabolizing tryptophan to produce IAA, ICA, and ILA, could slightly restore mouse body weight, DAI, and IL-22 expression. L. plantarum SFFI23 significantly restored body weight, colon length, histopathological damage, and cytokine expression in mice. Moreover, it activated the downstream signaling of AHR, specifically CYP1A1, and repairs the intestinal barrier function. Targeted metabolomic analysis revealed a significant increase in indole-3-lactic acid (ILA) in the mouse intestine. Correlation analysis revealed a significant positive correlation between high ILA production of L. plantarum, CYP1A1 expression, intestinal barrier function restoration, ILA levels in vivo, and colitis alleviation. Therefore, we inferred that high ILA production is a key tryptophan metabolic characteristic of L. plantarum which activated AHR downstream signaling (such as CYP1A1, IL-22, and STAT3) to alleviate colitis. This study provides a theoretical basis for the development of personalized dietary interventions to improve gut health.PMID:40022314 | DOI:10.1016/j.foodres.2025.115766

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