JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2021
·
IF 5.279
Peng Zhong,Xiaoqun Wei,Yi Xu,Lulu Zhang,Anastasios Koidis,Yunle Liu,Yi Lei,Shaozong Wu,Hongtao Lei
In this work, an untargeted and pseudotargeted metabolomics combination approach was used for authentication of three shrimp species (Litopenaeus vanmamei, Penaeus japonicus, and Penaeus monodon). The monophasic extraction-based untargeted metabolomics approach enabled comprehensive-coverage and high-throughput analysis of shrimp tissue and revealed 26 potential markers. The pseudotargeted metabolomics approach confirmed 21 markers (including 9 key markers), which realized at least putative identification. The 21 confirmed markers, as well as 9 key markers, were used to develop PLS-DA models, correctly classifying 60/60 testing samples. Furthermore, DD-SIMCA and PLS-DA models were integrated based on the 9 key markers, with 59/60 and 20/20 samples of the species that were involved and uninvolved in model training correctly classified. The results demonstrated the potential of this untargeted and pseudotargeted metabolomics combination approach for shrimp species authentication.
研究领域:
食品科学
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代谢组学
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生物化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR NEUROSCIENCE
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2025
·Vol. 75
·期 3
·1-14
·
IF 2.7
Fan Weihao,Ye Yi,Yang Hongkun,Wei Ying,Shi Kaiting,Yang Xinyu,Li Jian,Wang Zilong,Sun Yiming,Liao Linchuan
Ketamine is a synthesized anesthetic drug that was used extensively as a surgical anesthetic in the 1960s. Currently, ketamine is being investigated extensively for its potential as a treatment for depression. However, the addictive nature of ketamine has become an issue that cannot be ignored at this stage. As of now, there is no clear understanding of the changes in striatal metabolites and their relative metabolic pathways under the addictive effect of ketamine. In this study, a stable model of ketamine-induced conditioned place preference (CPP) was established. Non-targeted metabolomics and targeted metabolomics techniques, based on the ultra-performance liquid chromatography-Q Exactive hybrid quadrupole-Orbitrap mass spectrometry (UHPLC-QE/MS) and the UHPLC-MS platform, were employed to uncover the metabolic characteristics and neurotransmitter profiles of the striatum after ketamine abuse in mice. Potential biomarkers and related differential metabolic pathways of this model have been revealed. In non-targeted metabolomics analysis, striatal differential metabolites mainly involve pathways related to arginine synthesis, purine metabolism, and morphine addiction. In targeted metabolism, the striatum of mice receiving ketamine showed an increase in the content of the neurotransmitter kynurenine (Kyn) and a decrease in the content of the neurotransmitter dopamine (DA). Our study suggested that Kyn and DA metabolism disturbances might be associated with ketamine-induced CPP phenotypes and provided a new perspective for investigating the addiction mechanisms of ketamine.
研究领域:
药理学
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神经科学
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代谢组学
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精神病学
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分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2024
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IF 3.1
Yan Jiang,Xin Li,Wen-Jing Zhao,Feng-Jie Liu,Lu-Lu Yang,Ping Li,Hui-Jun Li
Authentication and adulteration detection of closely related herbal medicines is a thorny issue in the quality control and market standardization of traditional Chinese medicine. Taking Fritillariae Bulbus (FB) as a case study, we herein proposed a three-step strategy that integrates mass spectrometry-based metabolomics and multivariate statistical analysis to identify specific markers, thereby accurately identifying FBs and determining the adulteration level. First, an ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry-based untargeted metabolomics method was employed to profile steroid alkaloids in five sorts of FB and screen potential differential markers. Then, the reliability of the screened markers was further verified by the distribution in different FB groups acquired from ultra-high performance liquid chromatography triple quadrupole mass spectrometry-based pseudotargeted metabolomics analysis. As a result, a total of 16 compounds were screened out to be the specific markers, which were successfully applied to distinguish five FBs by using discriminant analysis model. Besides, partial least squares regression models based on specific markers allowed accurate prediction of three sets of adulterated FBs. All the models afforded good linearity and good predictive ability with regression coefficient of prediction (R 2 p ) > 0.9 and root mean square error of prediction (RMSEP) < 0.1. The reliable results of discriminant and quantitative analysis revealed that this proposed strategy could be potentially used to identify specific markers, which contributes to rapid chemical discrimination and adulteration detection of herbal medicines with close genetic relationship.
研究领域:
中药学
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分析化学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2022
·Vol. 37
·期 3
·e5558
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IF 1.911
Donghua Yu,Jiaqi Fu,Yu Wang,Fang Lu,Pingping Chen,Shumin Liu
This work aims to combine network pharmacology and metabolomics to explore the mechanism of action of dioscin on hyperuricemia (HUA). The preventative impact of dioscin on HUA and its putative mechanism were examined using network pharmacological analysis and metabonomics. Network pharmacology study further pointed out the potential targets of dioscin after a review of the relevant biomarker pathways discovered by metabolomic analysis. Molecular docking was then used to examine how the active chemicals interacted with the target proteins. The therapeutic effect of dioscin on HUA was shown to be mediated by 13 potentially important metabolites as a result of metabonomic research. Most of these metabolites are regulated after dioscin therapy to help patients recover. Based on network pharmacology, we identified 10 central genes, which is partly in agreement with metabolomics data. Using metabolomics and network pharmacology, this study investigated the primary targets and mechanisms of dioscin in the treatment of HUA. It is advantageous that dioscin has been developed as an additional drug for the treatment of HUA.
研究领域:
药理学
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代谢组学
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网络药理学
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分子生物学
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DOI
PubMed
高影响因子
npj Science of Food
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2025
·Vol. 9
·期 1
·1-11
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IF 7.8
Ye Zhibin,Huang Wenjing,Chen Zhenbin,Zhang Jixin,Hu Chenxin,Zhou Huan,Xu Qian,Ning Jingming
Drying plays a crucial role in shaping tea’s quality. This study investigated the effects of sun drying, hot-air drying, and combined drying on the taste profile of crude Ancha tea (CAT) by using sensory analysis and metabolomics methods. One-way analysis of variance and multivariate statistical analysis identified 33 key differential metabolites in CAT, including six substances with a dose over threshold (Dot) > 1 that contributed to bitterness and astringency: (−)-epicatechin gallate, (−)-epigallocatechin gallate, kaempferol-3-glucoside, quercetin-3-glucoside, myricetin-3-galactoside, and kaempferol-3-rutinoside. Sun drying reduced the levels of (−)-epicatechin gallate, (−)-epigallocatechin gallate, and kaempferol-3-rutinoside but increased the levels of kaempferol-3-glucoside, quercetin-3-glucoside, and myricetin-3-galactoside, thereby reducing the bitterness and astringency of CAT. Taste addition experiments confirmed that these six target compounds were the main contributors to the differences in bitterness and astringency between the CAT samples prepared using different drying methods. Moreover, the experiments demonstrated that caffeine significantly enhanced the intensity of bitterness.
研究领域:
食品科学
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植物化学
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分析化学
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感官科学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
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2021
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IF 4.556
Limin Wang,Kai Hong,Johnpaul I. Agbaka,Guangsen Zhu,Chenyan Lv,Changwei Ma
In this study, the evaluation of bitterness qualities and characteristic metabolite profiles in Krausen during beer fermentation were investigated using a UHPLC-Q/TOF-MS-based metabolomics approach and sensory evaluation analysis. Through sensory evaluation, Krausen was perceived as an extremely lingering bitterness character and exhibited impact on the bitter taste of beer and residue samples. Non-targeted metabolomics was employed to identify the potential bitter markers in Krausen through a differentiating approach across the metabolic profiles of Krausen, B1 (beer with Krausen removed), B2 (beer with Krausen retained), R1 (residue with Krausen removed), and R2 (residue with Krausen retained). Multivariate statistical analysis demonstrated that 41 of the screened key markers clustered towards the Krausen region were more or less hop bitter acid and its derivative. Subsequently, hop bitter acid and polyphenols were afterwards confirmed by quantification analysis. Both untargeted metabolomics and quantification results confirmed that isohumulones and humulinones contributed most towards the bitter profile of Krausen, while polyphenols may be not key compounds contributing to the bitter taste formation in Krausen. This study identified key bitter components of Krausen and may provided guidance for further research on taste quality of beer during fermentation.
研究领域:
食品科学
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代谢组学
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产品关联
DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2024
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IF 6
Ying Dong,Heng Wang,Guodong Li,Chuyang Wang,Liqiao Han,Zemin Wan,Jun Yan,Qiaoxuan Zhang,Min Zhan,Peifeng Ke,Haibiao Lin,Xinzhong Wu,Xianzhang Huang,Pengwei Zhang
Infant formula is prone to the Maillard reaction, forming early-stage Amadori products and advanced glycation end products (AGEs). Despite extensive research on protein-bound Amadori products and AGEs, studies on protein-unbound Amadori products in infant formula are limited. This study, for the first time, reveals that Amadori products derived from mono and oligohexose exhibit distinct MS/MS neutral loss patterns. Using these characteristics, a combined targeted and untargeted strategy for rapid and comprehensive analysis of mono- and oligohexose derived Amadori products was developed. A total of 40 protein-unbound Amadori products were identified, resulting from reactions between glucose, lactose, galactose, and 17 amino acids along with 3 other amino compounds. Novel Amadori products like fructosyl-O-phosphorylethanolamine/glycerophosphorylethanolamine and lactulosyl-O-phosphorylethanolamine/glycerophosphorylethanolamine were identified. Further comparative analysis of free Amadori product contents in 5 standard infant formula samples revealed significant variations. However, the levels of Amadori products and their corresponding precursor compounds showed no significant correlation. These findings offer valuable insights into the complexity and diversity of Amadori products in infant formulas. Moreover, the identified Amadori products show promise as potential markers for differentiating infant formulas from different manufacturers.
研究领域:
食品科学
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分析化学
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营养学
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产品关联
DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2024
·
IF 3.1
Ling Xin,Mengxin Ren,Yanwei Lou,Huawen Yin,Feng Qin,Zhili Xiong
Gushudan (GSD) was a traditional Chinese prescription with the remarkable effect of kidney-tonifying and bone-strengthening. However, the potential prevention mechanisms of the GSD on kidney-yang-deficiency-syndrome (KYDS) and its regulation on gut microbe metabolism still need to be further systematically investigated. This study established untargeted urinary metabolomics based on RP/HILIC-UHPLC-Q-Orbitrap HRMS and combined with multivariate statistical analysis to discover differential metabolites and key metabolic pathways. And the gut microbe metabolism pathway-targeted metabolomic based on HILIC-UHPLC-MS/MS was developed and validated to simultaneously determine 15 gut microbe-mediated metabolites in urine samples from the control group (CON), KYDS model group (MOD), GSD-treatment group (GSD) and positive group (POS). The results showed that a total of 36 differential metabolites were discovered in untargeted metabolomics. These differential metabolites included proline, cytosine, butyric acid and nicotinic acid, which were primarily involved in the gut microbe metabolism, amino acid metabolism, energy metabolism and nucleotide metabolism. And GSD played a role in preventing KYDS by regulating these metabolic pathways. The targeted metabolomics found that the levels of 10 gut microbe-mediated metabolites had significant differences in different groups. Among them, compared with the CON group, the levels of lysine, tryptophan, phenylacetylglycine and hippuric acid were increased in the MOD group, while the levels of threonine, leucine, dimethylamine, trimethylamine, succinic acid and butyric acid were decreased, which verified the disorders of gut microbe metabolism in the KYDS rats and GSD had a significant regulatory effect on this disorder. As well as by comparing analysis, it was found that the experimental results were consistent with previous metabolomics and microbiomics of fecal samples. Therefore, this integrated strategy of untargeted and targeted metabolomics not only elucidated the potential prevention mechanism of GSD on KYDS, but also provided a scientific basis for GSD preventing KYDS via the “gut-kidney” axis.
研究领域:
药理学
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代谢组学
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中医药
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系统生物学
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肠道微生物学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2023
·
IF 8.8
Yingying Li,He Zhou,Tian Tian,Yihong Hou,Dan Chen,Jie Zhou,Shuyuan Liu,Youben Yu,Weidong Dai,Tianshan Zhou
To investigate the effects of “golden flora” amount on the sensory quality, metabolites and bioactivities of Fu brick tea (FBT), FBT samples with different “golden flora” amounts were prepared from the same materials by adjusting the water content before pressing. With the increase of “golden flora” in samples, the tea liquor color changed from yellow to orange red and the astringent taste gradually diminished. Targeted analysis demonstrated that (−)-epigallocatechin gallate, (−)-epicatechin gallate, and most amino acids gradually decreased as the increase of “golden flora”. Seventy differential metabolites were identified by untargeted analysis. Among them, sixteen compounds including two Fuzhuanins and four EPSFs were positively correlated with “golden flora” amount ( P < 0.05). The FBT samples with “golden flora” exhibited significantly higher inhibitory potency on α-amylase and lipase than the samples without “golden flora”. Our results provide a theoretical basis of guiding FBT processing based on desired sensory quality and metabolites.
研究领域:
食品科学
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代谢组学
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茶叶科学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
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2024
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IF 4.8
Yongping He,Qianxue Yu,Xiaoyu Ma,Diya Lv,Hui Wang,Weian Qiu,Xiao fei Chen,Yang Jiao,Yue Liu
Ethnopharmacological relevance Tanacetum parthenium (L.) Schultz-Bip, commonly known as feverfew, has been traditionally used to treat fever, migraines, rheumatoid arthritis, and cancer. Parthenolide (PTL), the main bioactive ingredient isolated from the shoots of feverfew, is a sesquiterpene lactone with anti-inflammatory and antitumor properties. Previous studies showed that PTL exerts anticancer activity in various cancers, including hepatoma, cholangiocarcinoma, acute myeloid leukemia, breast, prostate, and colorectal cancer. However, the metabolic mechanism underlying the anticancer effect of PTL remains poorly understood. Aim of the study To explore the anticancer activity and underlying mechanism of PTL in human cholangiocarcinoma cells. Material and methods In this investigation, the effects and mechanisms of PTL on human cholangiocarcinoma cells were investigated via a liquid chromatography/mass spectrometry (LC/MS)-based metabolomics approach. First, cell proliferation and apoptosis were evaluated using cell counting kit-8 (CCK-8), flow cytometry analysis, and western blotting. Then, LC/MS-based metabolic profiling along with orthogonal partial least-squares discriminant analysis (OPLS-DA) has been constructed to distinguish the metabolic changes between the negative control group and the PTL-treated group in TFK1 cells. Next, enzyme-linked immunosorbent assay (ELISA) was applied to investigate the changes of metabolic enzymes associated with significantly alerted metabolites. Finally, the metabolic network related to key metabolic enzymes, metabolites, and metabolic pathways was established using MetaboAnalyst 5.0 and Kyoto Encyclopedia of Genes and Genomes (KEGG) Pathway Database. Results PTL treatment could induce the proliferation inhibition and apoptosis of TFK1 in a concentration-dependent manner. Forty-three potential biomarkers associated with the antitumor effect of PTL were identified, which primarily related to glutamine and glutamate metabolism, alanine, aspartate and glutamate metabolism, phenylalanine, tyrosine and tryptophan biosynthesis, phenylalanine metabolism, arginine biosynthesis, arginine and proline metabolism, glutathione metabolism, nicotinate and nicotinamide metabolism, pyrimidine metabolism, fatty acid metabolism, phospholipid catabolism, and sphingolipid metabolism. Pathway analysis of upstream and downstream metabolites, we found three key metabolic enzymes, including glutaminase (GLS), γ-glutamyl transpeptidase (GGT), and carnitine palmitoyltransferase 1 (CPT1), which mainly involved in glutamine and glutamate metabolism, glutathione metabolism, and fatty acid metabolism. The changes of metabolic enzymes associated with significantly alerted metabolites were consistent with the levels of metabolites, and the metabolic network related to key metabolic enzymes, metabolites, and metabolic pathways was established. PTL may exert its antitumor effect against cholangiocarcinoma by disturbing metabolic pathways. Furthermore, we selected two positive control agents that are considered as first-line chemotherapy standards in cholangiocarcinoma therapy to verify the reliability and accuracy of our metabolomic study on PTL. Conclusion This research enhanced our comprehension of the metabolic profiling and mechanism of PTL treatment on cholangiocarcinoma cells, which provided some references for further research into the anti-cancer mechanisms of other drugs.
研究领域:
药理学
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肿瘤学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
African Journal of Pharmacy and Pharmacology
·
2017
·Vol. 12
·期 47
·582-590
·
IF 0
Raphael N. Alolga,Enos Mais,Vitus Onoja
The quality of botanicals has been reported to be influenced by their places of cultivation. Although, ginger remains a common health remedy both in Ghana and China, no comparative study exists to the best of the authors’ knowledge, on the anti-inflammatory properties of ginger from these two countries. The aim of this study was to comparatively assess the anti-inflammatory effect of the methanolic extracts of fresh ginger samples from Ghana and China and identify biomarker(s) that is/are diagnostic of acute inflammation via untargeted metabolomics. A phytochemical assessment of the ginger extracts was initially performed with high performance liquid chromatography- quadrupole time-of-flight mass spectrometry (HPLC-Q/TOF-MS). Low (200 mg/kg) and maximum (400 mg/kg) doses the ginger extracts from each country were assessed using Sprague-Dawley (SD) rats against groups for positive (indomethacin, 10 mg/kg) and negative controls (no drug). Blood samples were taken from the retro orbital vein at four time points: 1, 4, 8 and 24 h after induction of inflammation. The levels of tumor necrosis factor-α (TNF-α) and prostaglandin E2 (PGE2) were determined in the plasma samples. The metabolomics study was also performed with HPLC-QTOF/MS and the data analyzed with MetaboAnalyst 3.0 and SIMCA 14.1. Phytochemical evaluation revealed marked differences in terms of the compounds deemed to have anti-inflammatory activities in the ginger samples from the two countries. Ginger extract from Ghana showed superior anti-inflammatory effects over that from China. In the metabolomics study, L-valine was identified as the diagnostic biomarker of acute inflammation from 8 differential metabolites identified.
研究领域:
植物学
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药理学
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代谢组学
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DOI
Horticultural Plant Journal
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2021
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IF 3.032
Haoliang Wan,Xiaoliang Zhang,Ping Wang,Haiji Qiu,Yafei Guo,Yunjiang Cheng,Weiwei Wen
Sesquiterpene valencene is dominant in flavedo tissues of sweet oranges and imparts a unique woody aroma. However, the interaction between the biosynthetic pathways of valencene and other nutritional compounds is less studied. Sesquiterpenoids were significantly accumulated in a previously reported glossy mutant of orange (MT) than the wild type (WT), especially valencene and caryophyllene. In addition, we identified several other pathways with variations at both the transcriptional and metabolic levels in MT. It's interesting to found those up-regulated metabolites in MT, such as eukaryotic lipids, kaempferol and proline also showed strong positive correlation with valencene along with fruit maturation while those down-regulated metabolites, such as phenylpropanoid coumarins and most of the modified flavonoids exhibited negative correlation. We then categorized these shifted pathways into the ‘sesquitepenoid-identical shunt’ and the sesquitepenoid-opposite shunt’ and confirmed the classification result at transcriptional level. Our results provide important insights into the connections between various fruit quality-related properties.
研究领域:
植物学
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分子生物学
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代谢组学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）