npj Science of Food
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2025
·Vol. 9
·期 1
·1-11
·
IF 7.8
Zhang Yun,Sun Xinru,Lu Ang’ang,Lai Jianxia,Yang Yuran,Zhang Jie,Jaouhari Abdelhadi E. L.,Zhu Jinhua,Ma Fanyi
This study compared the effects of cooking processes (including steaming, boiling, hot-air roasting and microwaving) on the nutrients of Dioscorea opposita planting in sandy soil (SSCY) and loessial soil (LSCY). The contents of crude fiber and reducing sugar increased significantly during cooking for SSCY, whereas those of LSCY remained unchanged. A significant decline in allantoin content was observed in boiled yams (approximately 6.0% for SSCY and 14.1% for LSCY, respectively). Moreover, the differences in chemical compositions between SSCY and LSCY were compared using non-targeted metabolomics. Totally, 656 differential metabolites of LSCY were identified, including lipids, nucleotides, amino acids and derivatives, and organic acids, which might be the key reason why LSCY exhibits higher nutritional values than SSCY. This research contributed to understanding the systematic metabolic changes during planting and the molecular mechanisms influencing the quality formation, providing the theoretical references for the more scientific consumption of Chinese yam.
研究领域:
植物学
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食品科学
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土壤科学
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营养学
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DOI
PubMed
高影响因子
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
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2024
·
IF 6.2
Xuecheng Li,Changyi Li,Ziyu Chen,Jiahui Wang,Jie Sun,Jun Yao,Ke Chen,Zhenghui Li,Hengpeng Ye
Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous at relatively high concentrations by atmospheric deposition, and they are threatening to the environment. In this study, the toxicity of naphthalene on tall fescue and its potential responding mechanism was first studied by integrating approaches. Tall fescue seedlings were exposed to 0, 20, and 100 mg L −1 naphthalene in a hydroponic environment for 9 days, and toxic effects were observed by the studies of general physiological studies, chlorophyll fluorescence, and root morphology. Additionally, Ultra Performance Liquid Chromatography - Electrospray Ionization - High-Resolution Mass Spectrometry (UPLC-ESI-HRMS) was used to depict metabolic profiles of tall fescue under different exposure durations of naphthalene, and the intrinsic molecular mechanism of tall fescue resistance to abiotic stresses. Tall fescue shoots were more sensitive to the toxicity of naphthalene than roots. Low-level exposure to naphthalene inhibited the electron transport from the oxygen-evolving complex (OEC) to D1 protein in tall fescue shoots but induced the growth of roots. Naphthalene induced metabolic change of tall fescue roots in 12 h, and tall fescue roots maintained the level of sphingolipids after long-term exposure to naphthalene, which may play important roles in plant resistance to abiotic stresses.
研究领域:
环境科学
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植物生理学
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代谢组学
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PubMed
高影响因子
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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PubMed
高影响因子
Plants-Basel
·
2023
·Vol. 12
·期 2
·308
·
IF 4.5
Ting Li,Xi Zhao,Xueli Cao
Prunus mumeis a traditional Chinese plant with high ornamental and application values due to its very early blooming and unique fragrance. Long-term breeding and cultivation have resulted in a variety ofP. mumeblossoms and have made their exploitation more possible. Existing studies on the volatile metabolome and aroma ofP. mumeblossoms are limited. In this study, six extensively planted cultivars ofP. mumeblossoms, including Gulihong (GLH), Yudie (YD), LvE (LE), Dongfang Zhusha (DFZS), Jiangmei (JM), and Gongfen (GF), were investigated for their differences in terms of volatile metabolome, as well as their aroma characteristics based on the strategies and methods of metabolomics. The volatile metabolites were analyzed using HS-SPME-GC-MS technique. A total of eighty-nine compounds were detected and sixty-five of them were tentatively identified, including thirty-seven phenylpropanoids/benzenes, seventeen fatty acid derivatives, ten terpenoids, and one other compound. YD contains the most volatile metabolites in terms of number and amounts, which impart more abundant aromas to this cultivar. Fifteen differential compounds were screened through the untargeted metabolic analysis of twenty-nine samples by principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA), while nine compounds were screened based on the odor activity value (OAV) analysis of the sixty-five identified compounds. GLH and GF, JM and LE were found to be more similar to each other based on chemometrics analysis of both volatile contents and OAVs, while YD and DFZS were markedly different from other cultivars. Six main metabolites, including benzaldehyde, methyl benzoate, benzyl acetate, eugenol, (E)-cinnamic alcohol, and 4-allylphenol, together with 2-nonenal, 3,4-dimethoxytoluene, and trans-β-Ionone were screened as differential compounds, owing to their higher contents and/or lower olfactory threshold, which endow an almond, cherry, phenolic, wintergreen, cananga odorata, floral, jasmine, hyacinth, cinnamon, clove, woody, medicinal, and violet fragrance to each variety, and greatly contribute to the aroma differences of six cultivars ofP. mumeblossom.Keywords:aroma;HS-SPME-GC-MS;Prunus mumeblossom;untargeted metabolomics;volatile metabolome
研究领域:
植物学
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代谢组学
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农学
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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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PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2024
·
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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PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2024
·
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
BIOMEDICAL CHROMATOGRAPHY
·
2022
·Vol. 37
·期 3
·e5558
·
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
TOXICOLOGY LETTERS
·
2020
·
IF 3.569
Meng Shi,Shikun Deng,Yalan Cui,Xuejun Chen,Tong Shi,Liangcai Song,Ruihua Zhang,Yi Zhang,Jianfu Xu,Jingjing Shi,Chen Wang,Liqin Li
Repeated low-level exposure to sarin results to hippocampus dysfunction. Metabonomics involves a holistic analysis of a set of metabolites in an organism in the search for a relationship between these metabolites and physiological or pathological changes. The objective of the present study was to evaluate the effects of repeated exposure to low-level sarin on the metabonomics in hippocampus of a guinea pig model. Guinea pigs were divided randomly into control and sarin treated groups (n = 14). Guinea pigs in the control group received saline; while the sarin-treated group received 0.4×LD 50 (16.8 μg/kg) sarin. Daily injections (a total of 14 days) were administered sc between the shoulder blades in a volume of 1.0 ml/kg body weight. At the end of the final injection, 6 animals in each group were chosen for Morris water maze test. The rest guinea pigs (n = 8 for each group) were sacrificed by decapitation, and hippocampus were dissected for analysis. Compared with the control-group, the escape latency in sarin-group was significantly ( p < 0.05) longer while the crossing times were significantly decreased in the Morris water task ( p < 0.05). Sarin inhibited activities of acetylcholinesterase (AChE) and neuropathy target esterase (NTE) in hippocampus. The AChE activity of hippocampus from sarin-treated groups is equivalent to 59.9 ± 6.4 %, and the NTE activity of hippocampus from sarin-groups is equivalent to 78.1 ± 8.3 % of that from control-group. Metabolites were identified and validated. A total of 14 variables were selected as potential biomarkers. Phospholipids [phosphatidylcholine (PC), phosphatidylethanolamine (PE), phosphatidic acid (PA), phosphatidylglycerol (PG), phosphatidylinositol (PI), Lysophosphatidylethanolamine (LysoPE or LPE)] and sphingolipids (SPs) [sphinganine (SA), phytosphingosine (PSO) and sphinganine-1-phosphate (SA1P)] were clearly modified. In conclusion, repeated low-dose exposures to sarin disrupted the homeostasis of phospholipid and sphingolipid metabolism in guinea pig hippocampus and may lead to a neuronal-specific function disorders. Identified metabolites such as SA1P need to be studied more deeply on their biological function that against sarin lesions. In future research, we should pay more attention to characterize the physiological roles of lipid metabolism enzymes as well as their involvement in pathologies induced by repeated low-level sarin exposure.
研究领域:
神经科学
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毒理学
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生物化学
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DOI
高影响因子
npj Science of Food
·
2025
·Vol. 9
·期 1
·1-11
·
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
·
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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高影响因子
JOURNAL OF PROTEOME RESEARCH
·
2021
·
IF 4.466
Shaohua Xu,Liwei Lyu,Huaichang Zhu,Xiaoqiang Huang,Wei Xu,Wen Xu,Yaqian Feng,Yong Fan
The antiobesity effect of celastrol has been reported in numerous studies, but the underlying mechanism remains unclear. It is widely accepted that gut dysbiosis is closely related to obesity. The potential effect of celastrol on microbiota is worth exploring. In this study, the celastrol-induced weight loss was validated in high-fat diet (HFD)-induced obese mice, with the detection of reported phenotypes including a reduction in food intake, augments in dyslipidemia and glucose metabolism, and adipose thermogenesis. The anti-inflammatory effect of celastrol was also proved based on the alterations in serum cytokines. Antibiotic interference showed that gut microbiota contributes to celastrol-induced weight loss. Several key bacteria were identified using shotgun metagenomic sequencing to display the alterations of the intestinal microbiome in obese mice treated with celastrol. Meanwhile, the fecal and serum metabolic profiles were generated by pseudotargeted metabolomics, and changes in some critical metabolites related to appetite and metabolism were detected. Importantly, we applied in silico bidirectional mediation analysis to identify the precise connections among the alterations in gut microbes, serum metabolome, and host phenotypes induced by celastrol treatment for the first time. Therefore, we concluded that the celastrol-induced microbial changes partially contribute to the antiobesity effect via the serum metabolome. The mass spectrometry data are deposited on MetaboLights (ID: MTBLS3278).
研究领域:
药理学
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微生物学
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代谢组学
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营养学
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肥胖研究
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产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）