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Journal of Food Measurement and Characterization · 2020 ·Vol. 15 ·期 2 ·1475-1486 · IF 1.648

Metabolite fingerprinting of buckwheat in the malting process

Zhao Xinchi,Li Chongwei,Jiang Yumeng,Wang Meiting,Wang Binchen,Xiao Lin,Xu Xianbing,Chai Duo,Dong Liang

With aims to better optimize and improve the industrial buckwheat maling process, metabolite analysis was carried out by gas chromatography–mass spectrometry (GC/MS) and high pressure liquid chromatography (HPLC) to investigate the time-dependent metabolic changes during buckwheat malting. Sixty-four metabolites, which covered a broad spectrum of polar (e.g. amino acids, sugars, acids and phenolic compounds) and non-polar (e.g. fatty acid methyl esters, free fatty acids, sterols) buckwheat constituents with low molecular weights, were identified and quantified. Results show that content of polar metabolites, such as sugars and amino acids, increased during malting. Meanwhile, levels of most of non-pollar metabolites, including fatty acid methyl esters, free fatty acids and sterols changed very little or kept constant. The statistical assessment of the metabolic data was derived by principal component analysis (PCA). Results demonstrate that the metabolic changes during the buckwheat malting process can be reflected by time-dependent shifts in the PCA loading scores. The analysis of the loadings further showed that polar metabolites, including sugars, amino acids and some of phenolic acid compounds, were the major contributors of the malting time-driven changes during buckwheat malting. The changing rule of these metabolites was explored nutritionally. Free fatty acids were the superior energy supplier during steeping and initial germination phase compared with sugars in the buckwheat malting process. Buckwheat malt is a potential material for the beer brewing industry.

研究领域: 食品科学 · 植物代谢组学
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ANALYTICAL CHEMISTRY · 2025 · IF 6.7

Microseparation of Lipophilic and Hydrophilic Metabolites for Single Oocyte Mass Spectrometry Analysis

Jinlei Yang,Jing Wang,Runsong Cheng,Tianyi Liao,Siyuan Pan,Murong Du,Weiliang Liu,Liying Yan,Sichun Zhang,Xinrong Zhang

Single-cell metabolic analysis has not yet achieved the coverage of bulk analysis due to the diversity of cellular metabolites and the ionization competition among species. Direct ionization methods without separation lead to the masking of low-intensity species. By designing a capillary column emitter and introducing reverse-phase chromatography principles, we achieved the microseparation of lipophilic and hydrophilic metabolites and lowered the limit of detection of hydrophilic metabolites to the level of a single oocyte. We identified 517 metabolite species in a single oocyte, achieving coverage and reproducibility comparable to those of bulk analysis. By comparing oocytes at different maturation stages, 76 metabolic features were identified with significant differences between the germinal vesicle and meiosis II stages. Metabolite level changes suggested the roles of lipid metabolism remodeling, increased amino acid synthesis, and a shift from pyrimidine metabolism to purine metabolism in the process of oocyte maturation. This microseparation mass spectrometry analysis is expected to promote single-cell metabolomics.

研究领域: 生物化学 · 生殖生物学 · 分析化学
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International Journal of Clinical and Experimental Medicine · 2015 · IF 1.277

Metabolomics analysis in rats after administration of Datura stramonium

Meiling Zhang,Shihui Bao,Feiou Lin,Yingying Lin,Lijing Zhang,Mengzhi Xu,Xueli Huang,Congcong Wen,Lufeng Hu,Guanyang Lin

This study aimed to evaluate the effect of Datura stramonium on rats by examining the differences in urine and serum metabolites between Datura stramonium groups and control group. SIMCA-P+12.0.1.0 software was used for partial least-squares discriminant analysis (PLS-DA) to screen for the differential metabolites. Fifteen metabolites in urine including malonic acid, pentanedioic acid, D-xylose, D-ribose, xylulose, azelaic acid, threitol, glycine, butanoic acid, D-mannose, D-gluconic acid, galactonic acid, myo-inositol, octadecanoic acid, pseudouridine and ten metabolites in serum including alanine, butanedioic acid, L-methionine, propanedioic acid, hexadecanoic acid, D-fructose, tetradecanoic acid, D-glucose, D-galactose, oleic acid were selected as the characteristic metabolites. The PLS-DA scores plot indicated that serum and urine metabolites have a variety of changes among low dose group, high dose group and control group. These metabolites were related with amino metabolism, lipid metabolism and energy metabolism. The result reflected the relationship between metabolites in rat fluid and Datura stramonium spectra. Potential differences in metabolites and metabolic pathway analysis showed that the establishment of urine and serum metabolomics methods for further evaluating drug has great significance.

CAS / MDL: 142-82-5 4229-44-1
研究领域: 药理学 · 代谢组学
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Sugar Tech · 2025 · IF 2

Comparative Metabolomics Analysis of Terpenoid and Flavonoid in Roots of Red Beet and Sugar Beet (Beta vulgaris L.)

He Wentao,Liu Naixin,Zhou Qin,Li Linxuan,Zhao Wenwen

There is a lack of systematic analysis and research on the special components of red beet and sugar beet, which are common beet varieties rich in a variety of beneficial chemicals. To investigate the differences in the composition of flavonoids and terpenoids in roots of red beet and sugar beet, poinsettia(red beet) and HD802(sugar beet) were detected and analysed in the present study by using the UPLC-MS/MS detection platform and the MWDB(Metware database), and orthogonal partial least squares discriminant analysis (OPLS-DA) was used to screen out the differential metabolites from the detected flavonoid metabolites and terpenoids metabolites. A total of 69 flavonoid metabolites from 6 classes and 48 terpenoids from 6 classes were detected in two kinds of beet roots. Analysis of variance (ANOVA) showed that the content of 5 flavonoid and 4 terpenoid differential metabolites was higher in red beet roots than in sugar beet roots, and the content of the remaining 25 flavonoid and 2 terpenoid differential metabolites was lower than that of sugar beet roots. According to the metabolite Log 2 FC, the components of the flavonoid metabolites with large difference ratio were mainly Polymethyl flavonoid derivatives, Iso-rhamnoside and Rhamnoside, Marigold glycoside, Methoxyl flavonoid derivatives, Diosmetin derivatives, Chrysoeriol and its derivatives, Luteolin derivatives, Homonetsin derivatives and Kaempferol derivatives. Significant differences in flavonoid metabolites and terpenoid metabolites between the two beet roots were found by non-targeted analysis of variance and can be further analysed as characteristic metabolites.

CAS / MDL: 64-18-6
研究领域: 植物学 · 代谢组学 · 药用植物研究
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JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE · 2025 · IF 3.5

Unraveling the dynamic metabolite changes during the rolling–cutting of CTC black tea at an industrial scale

Qian Pu,Anlan Qu,Minghui Qi,Yanan Liu,Bin Liu,Xin Fang,Yufei Wang,Yuan Yuan,Guangxian Jiang,Shuang Wu,Mingjin Li,Jingyi Xiao,Youyi Huang

BACKGROUND The rolling–cutting process (RCP) is a crucial process in crush–tear–curl (CTC) black tea, but its quality formation is far from clear. This study aims to elucidate the dynamics of sensory quality and metabolites through quantitative descriptive analysis, headspace solid-phase microextraction/gas chromatography–mass spectrometry, and liquid chromatography–tandem mass spectrometry. RESULTS Sixteen key characteristic aromas with ratio of each relative odor activity value (rOAV) to the maximum rOAV (ROAV) ≥ 0.1, variable importance in projection (VIP) > 1, and P < 0.05 were screened out, and linalool, (2 E )-2-nonenal, and ( E )-2-hexenal were the top three ROAVs. The RCP mainly facilitated the release of grassy aromas through fatty acid oxidation while also promoting the synthesis of fruity aromas through monoterpene biosynthesis and phenylpropanoid/benzoid biosynthesis. Additionally, 72 non-volatiles (VIP > 1.50, P < 0.01) were identified as characteristic metabolites, and flavonoids accounted for the largest proportion. RCP accelerated the glycosylation of kaempferol and quercetin to enhance the bitter and astringent attributes. CONCLUSION These findings will promote the comprehension of CTC black tea quality formation in RCP. © 2025 Society of Chemical Industry.

CAS / MDL: 110-38-3
研究领域: 食品科学 · 代谢组学 · 茶叶加工
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FOOD CHEMISTRY · 2024 · IF 8.5

Unraveling key non-volatiles responsible for taste differences of Pixian broad bean paste based on sensory analysis and untargeted metabolomics

Qin Xiang,Wenjing Zhou,Aiping Yang,Yilan Wei,Min Xu,Ping Liu

Besides aroma, the tastes of Pixian Broad Bean Paste (PBBP) are also important, however, they have not yet been thoroughly elucidated. Therefore, this study employed sensory and untargeted metabolomics approaches to investigate taste characteristics, molecular basis and their metabolic pathways of PBBP from three different manufacturers and two grades. Results showed PBBP was predominantly characterized by strong sour, umami and salty tastes, and significant differences were observed in samples from different manufacturers and grades ( p  < 0.05), especially higher sourness, saltiness and umami in premium PBBP. Based on non-volatiles, 55 key differential metabolites were identified through orthogonal partial least square discriminant analysis (OPLS-DA, P value<0.05, VIP value>1.0) and Pearson correlation analysis (|ρ| > 0.7). These key differential metabolites responsible for taste differences were metabolized by 36 crucial KEGG pathways ( P value<0.05, impact value>0.05). These results could expand our understandings of PBBP taste compounds and their metabolisms, and provide theoretical evidences for further quality improvement.

CAS / MDL: 14091-11-3 103616-89-3
研究领域: 食品科学 · 代谢组学
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ACS Applied Materials & Interfaces · 2022 · IF 10.383

Coral-like Magnetic Particles for Chemoselective Extraction of Anionic Metabolites

Shuai Liu,Mo Zhang,Zhizhen Lai,Hongtao Tian,Yuming Qiu,Zhili Li

To date, advanced chemical biology tools for chemoselective extraction of metabolites are limited. In this study, unique coral-like polymer particles were synthesized via high concentrations of 1-ethyl-3-(3-(dimethylamino)propyl) carbodiimide hydrochloride (EDC)/N-hydroxysuccinimide (NHS), which are usually used as condensation agents. The polymers can wrap or adhere Fe3O4 nanoparticles (Fe3O4-NPs) to form polymer magnetic microparticles (PMMPs). With abundant NHS-activated moieties on their surface, the coral-like PMMPs could be modified by cystamine for the chemoselective extraction of phosphate/carboxylate anion metabolites from complex biological samples. Finally, 97 metabolites including nucleotides, phosphates, phosphate sugars, carboxylate sugars, and organic acids were extracted and identified from serum, tissues, and cells. These metabolites are involved in four major metabolic pathways including glycolysis, the tricarboxylic acid cycle, the pentose phosphate pathway, and nucleotide metabolism. This study has provided a cost-effective and easy-to-implement preparation of PMMPs with a robust chemoselective extraction ability and versatile applications.

研究领域: 生物化学 · 分析化学 · 材料科学
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TALANTA · 2024 · IF 5.6

Volatile carbonyl metabolites analysis of nanoparticle exposed lung cells in an organ-on-a-chip system

Jinlong Liu,Meiyan Qin,Yimin Shi,Rui Jiang,Zizhen Wang,Lingqian Zhang,Yang Zhao,Hang Gao,Mingxiao Li,Chengjun Huang

The evaluation of nanoparticles (NPs) cytotoxicity is crucial for advancing nanotechnology and assessing environmental pollution. However, existing methods for NPs cytotoxicity evaluation suffer from limited accuracy and inadequate information content. In the study, we developed a novel detection platform that enables the identification of cellular carbonyl metabolites at the organ level. The platform is integrated with a cell co-culture lung organ chip (LOC) and a micropillar concentrator. Notably, our work represents the successful measurement of the amounts of cellular metabolites on LOC system. The volatile carbonyl metabolites (VCMs) generated by cells exposure to various types of NPs with different concentrations were captured and detected by high-resolution mass spectrometry (MS). Compared with conventional cell viability and reactive oxygen species (ROS) analysis, our method discerns the toxicological impact of NPs at low concentrations by analyzed VCM at levels as low as ppb level. The LOC system based metabolic gas detection confirmed that low concentrations of NPs have a toxic effect on the cell model, which was not reflected in the fluorescence detection, and the effect of NP material is more significant than the size effect. Furthermore, this method can distinguish different NPs acting on cell models through cluster analysis of multiple VCMs.

CAS / MDL: 666-52-4 1314-13-2
研究领域: 生物医学工程 · 毒理学 · 分析化学
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Current Research in Food Science · 2025 · IF 7

Non-volatile and volatile metabolite analyses and objective quantitative technique reveal the effect of fixation methods on the flavor quality and metabolites of green tea

Xizhe Zhu,Liyue Yang,Zhiwen Ge,Wen Ouyang,Jinjin Wang,Ming Chen,Yaya Yu,Shunyin Wu,Yanhua Qin,Chunyong Huang,Guofu Zhang,Yating Zhang,Haibo Yuan,Yongwen Jiang,Jinjie Hua

Fixation methodology serves as the critical determinant in shaping green tea's multi-dimensional quality attributes; however, the impact of different fixation methods and the corresponding combinations on the overall metabolites and quality of in green tea remains unclear. In this study, non-volatile metabolites (NVMs) and volatile metabolites (VMs) analyses and objective quantitative techniques were used to determine the effects of electromagnetic roller-hot air coupling fixation (ROHF), electromagnetic roller-steam coupling fixation (ROSF), electromagnetic roller-hot air-steam coupling fixation (RHSF), electromagnetic single roller fixation (ROLF), and carding fixation (CDF) on the quality of green tea. Forty-four NVMs, 99 VMs, and 15 flavor objective quantitative indexes were identified, with 12 differential NVMs and 9 differential VMs statistically screened. The green tea processed via ROLF was lustrous and emerald green with a bright and clear liquor; ROSF resulted in low caffeine and flavonoid glycosides contents and an umami (UMS) taste; and RHSF was associated with high trans -β-ionone, hexanal and 1-octen-3-ol levels, with a floral and fresh aroma. These findings provide a precise control scheme for the customized processing of green tea, and promote the upgrading of traditional fixation process to intelligent standardization.

研究领域: 食品科学 · 植物代谢组学
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FOOD CHEMISTRY · 2015 · IF 3.391

Simultaneous determination of residues of dipyrone metabolites in goat tissues by hydrophilic interaction liquid chromatography tandem mass spectrometry

Chong Zhang,Lifang Zhang,Suqing Cao,Zhaoling Jiang,Hao Wu,Ming Yan,Xiaoxiao Zhang,Shanxiang Jiang,Feiqun Xue

A reliable LC–MS/MS method with high sensitivity was developed and validated for the determination of dipyrone (DIP) metabolites in goat muscle, fat, liver, and kidney samples. Analytes were extracted using acetonitrile mixed with ammonia solution. After dehydration and evaporation to dryness, extracts were purified using an Oasis MAX cartridge. Chromatographic separation was performed on a hydrophilic interaction liquid chromatography column. The analytes were then detected using triple-quadrupole mass spectrometry in positive electrospray ionization and multiple reaction monitoring mode. Calibration plots were constructed using matrix-matched standards and showed good linearity. Limits of quantification for 4-methylaminoantipyrine (MAA), 4-formylaminoantipyrine (FAA), and 4-acetylaminoantipyrone (AAA) ranged from 0.4   μg   kg −1 to 6   μg   kg −1 , while those for 4-aminoantipyrone (AA) ranged from 10   μg   kg −1 to 125   μg   kg −1 in all tissues. The developed method was successfully applied in the determination of DIP metabolite residues in actual goat tissues.

CAS / MDL: 540-69-2 64-18-6
研究领域: 分析化学 · 兽医学 · 食品科学
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FOOD RESEARCH INTERNATIONAL · 2022 · IF 7.425

Comprehensive metabolite analysis of wheat dough in a continuous heating process

Kunya Cheng,Binchen Wang,Lin Xiao,Yuxiang Bao,Xianbing Xu,Sufang Zhang,Zhaofang Liu,Liang Dong

Comprehensive metabolite analysis was carried out by gas chromatography combined with mass spectrometry to investigate the time-dependent metabolic changes during wheat dough heating. Thirty-five volatile metabolites comprising alcohols, ketones, aldehydes, aromatic compounds, furans, acids and esters were identified. Sixty-four non-volatile metabolites, which covered a broad spectrum of polar and non-polar constituents, were also identified and quantified. Results showed that the content of most volatile metabolites increased during heating. Meanwhile, the levels of non-volatile polar metabolites, such as sugar and amino acid , increased and the levels of non-volatile non-polar metabolites decreased or remained constant, including fatty acid methyl ester and free fatty acids . PCA results demonstrated that metabolic changes could be reflected by time-dependent shifts in the PCA loading scores during heating. Analysis of the loadings further showed that most volatile metabolites and non-volatile polar metabolites were the major contributors of the heating time-driven changes during heating. Furthermore, lipid oxidation mainly occurred in the residues of oleic acid and linoleic acid of triglycerides.

研究领域: 食品科学 · 代谢组学
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WATER RESEARCH · 2024 · IF 11.4

Unraveling phytoremediation mechanisms of the common reed (Phragmites australis) suspension cells towards ciprofloxacin: Xenobiotic transformation and metabolic reprogramming

Bin Wang,Hang Xu,Yu Liu,Kaiping Zhou,Xinyu Li,Deyang Kong,Jinmei Chen,Yujie He,Rong Ji

Phytoremediation is an effective solution to treat pollution with antibiotic compounds in aquatic environments; however, the underlying mechanisms for plants to cope with antibiotic pollutants are obscure. Here we used cell suspension culture to investigate the distribution and transformation of ciprofloxacin (CIP) in common reed ( Phragmites australis ) plants, as well as the accompanying phenotypic and metabolic responses of plants. By means of radioactive isotope labelling, we found that in total 68 % of CIP was transformed via intracellular Phase I transformation (reduction and methylation), Phase Ⅱ conjugation (glycosylation), and Phase Ⅲ compartmentalization (cell-bound residue formation mainly in cell walls, 23 %). The reduction and glycosylation products were secreted by the cells. To mitigate stress induced by CIP and its transformation products, the cells activated the defense system by up-regulating both intra- and extra-cellular antioxidant metabolites ( e.g. , catechin, l -cystine, and dehydroascorbic acid), anti-C/N metabolism disorder metabolites ( e.g. , succinic acid), secreting signaling ( e.g. , nicotinic acid), and anti-stress ( e.g. , allantoin) metabolites. Notably, the metabolic reprogramming could be involved in the CIP transformation process ( e.g. , glycosylation). Our findings reveal the strategy of wetland plants to cope with the stress from CIP by transforming the xenobiotic compound and reprogramming metabolism, and provide novel insights into the fate of antibiotics and plant defense mechanisms during phytoremediation.

研究领域: 环境科学 · 植物生理学 · 药理学 · 毒理学 · 代谢组学
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