JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2019
·
IF 2.813
Zheng-ming Qian,Ling Chen,Meng-qi Wu,De-qiang Li
Rapid discovery of active ingredients from complex matrices is one of great challenges for modern drug development. Traditional methods often require many sample treatment steps, including an extraction step with exclusively dedicated solvents followed by repeated separation and activities assessment. This present work described an integrated analytical setup for natural antioxidants discovery in which the online extraction (OLE) of a solid sample is directly coupled to its analysis by high performance liquid chromatography-diode array detector-quadrupole time-of-flight tandem mass spectrometry and 2,2′-Azinobis-(3-ethylbenzthiazoline-6-sulphonate) (ABTS) antioxidant assay (OLE-HPLC-DAD-QTOF-MS/MS-ABTS). This developed approach makes sample extraction, chromatographic separation and chemical detection, and antioxidant assay integrated into a single HPLC injection and was successfully applied for the rapid discovery of natural antioxidant bioactives from Polygonum viviparum . A total of 21 secondary metabolites were characterized according to their retention times, ultraviolet (UV) spectra, exact mass and fragmentation ions in MS/MS spectra, and 18 of them displayed antioxidant activity (response as negative peaks in antioxidant assay). This work describes a simple, green and efficient approach to minimize the sample consumption (only 0.4 mg was required) and eliminate complex sample treatment procedures. The developed OLE-HPLC-DAD-QTOF-MS/MS-ABTS system offers new perspectives for rapid chemical profiling of natural products and their antioxidants discovery.
研究领域:
分析化学
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植物化学
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药物发现
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2022
·
IF 9.231
Yuan Pan,Hui-Wen Gu,Yi Lv,Xiao-Li Yin,Ying Chen,Wanjun Long,Haiyan Fu,Yuanbin She
Identifying geographical origins of red wines made in specific regions is of significance since the false claim of geographical origins has been frequently exposed in China's wine industry. In this work, an untargeted metabolomic approach based on UPLC-QTOF-MS was established to discriminate geographical origins of Chinese red wines. The principal component analysis (PCA) showed significant differences between wine samples from three famous geographical origins in China. The metabolites contributing to the differentiation were screened by orthogonal partial least squares-discriminant analysis (OPLS-DA) with pairwise modeling. 40 and 46 differential metabolites in positive and negative ionization modes were putatively identified as chemical markers. Furthermore, heatmap visualization and OPLS-DA models were constructed based on these identified markers and external verification wine samples from different regions were successfully discriminated, with recognition rate up to 96.7%. This study indicated that UPLC-QTOF-MS-based untargeted metabolomics has great potential for the geographical origin traceability of Chinese red wines.
研究领域:
食品科学
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分析化学
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代谢组学
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葡萄酒科学
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产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2023
·
IF 8.1
Xiao Jia,Pei Yu,Qi An,Jingnan Ren,Gang Fan,Zelan Wei,Xixiang Li,Siyi Pan
The effect of microwave treatment on the content of glucosinolates (GSL) in radish seeds and volatile odor compounds in the microwaved radish seed oils (MRSO) is still unclear. In this study, a total of 13 GSL were identified and quantified in five radish seed varieties by UPLC-IMS-QTOF-MS, among which glucoraphenin, glucoraphasatin, glucoerucin accounting for up to 90 %. Total GSL decreased by 47.39–67.88% after microwave processing. Moreover, 58 odor compounds were identified in MRSO, including 6 sulfides, 12 nitriles, 2 isothiocyanates, 10 alcohols, 12 aldehydes, 5 ketones, 6 acids, and 5 others. The major odor compounds were (methyldisulfanyl)methane, dimethyltrisulfane, (methylsulfinyl)methane, 3-(methylsulfanyl)-1-propanol, methyl thiocyanate, hexanenitrile, 5-(methylsulfanyl)pentanenitrile, and 4-isothiocyanato-1-butene with odor activity value (OAV) higher than 1. The principal components analysis (PCA) results can distinguish MRSO from five different radish seed varieties, three of which (H20-18, H20-19 and H20-28) were in one group and other two (H20-23 and H20-26) were in another group. In addition, aliphatic GSL showed positive correlations with sulfides, isothiocyanates, and nitriles, while negative correlations with alcohols. This work provides a new insight into the odor contribution of GSL degradation products.
研究领域:
食品科学
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分析化学
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植物生物化学
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产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF FOOD MICROBIOLOGY
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2024
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IF 5
Gang Wang,Jia Kong,Tuo Leng,Weidong Zhang,Ting Chen,Xizhe Xu,Zhibing Huang,Jianhua Xie
Penicillium exopolysaccharide (EPS) inhibits galactose lectins and enhances immunity. However, EPS production is low and its synthesis mechanism remains unclear. Penicillium EF-2 strains with high EPS production were selected for this study, and Penicillium fermentation conditions were subsequently improved. The optimal culture conditions were 30 g/L lactose, 6 g/L yeast extract powder, 4 d seed age, 10 % inoculation amount, 3 d of secondary fermentation time, and the final EPS yield was 3.97 g/L. UHPLC-Q-TOF-MS/MS was used to explore the mechanism of EPS synthesis at the metabolic level. Optimal carbon source: lactose and optimal nitrogen source: yeast extract can provide precursors for EPS synthesis through related metabolic pathways. Moreover, regulating the energy, vitamin, and lipid metabolic pathways created favourable conditions for EPS synthesis and secretion. These findings explain the mechanism of EPS synthesis at the metabolic level and provide a theoretical basis for optimising and industrialising EPS production.
研究领域:
微生物学
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生物技术
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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
FOOD RESEARCH INTERNATIONAL
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2023
·
IF 8.1
Ziwei Wang,Lin Zhou,Wenqian Hao,Yu Liu,Xia Xiao,Xiao Shan,Chenning Zhang,Binbin Wei
P. pseudocerasus and P. tomentosa are the two native Chinese cherry species of high economic and ornamental worths. Little is known about the metabolic information of P. pseudocerasus and P. tomentosa . Effective means are lacking for distinguishing these two similar species. In this study, the differences in total phenolic content (TPC), total flavonoid content (TFC), and in vitro antioxidant activities in 21 batches of two species of cherries were compared. A comparative UPLC-QTOF/MS-based metabolomics coupled with three machine learning algorithms was established for differentiating the cherry species. The results demonstrated that P. tomentosa had higher TPC and TFC with average content differences of 12.07 times and 39.30 times, respectively, and depicted better antioxidant activity. Total of 104 differential compounds were identified by UPLC-QTOF/MS metabolomics. The major differential compounds were flavonoids, organooxygen compounds, and cinnamic acids and derivatives. Correlation analysis revealed differences in flavonoids content such as procyanidin B1 or isomer and (Epi)catechin. They could be responsible for differences in antioxidant activities between the two species. Among three machine learning algorithms, the prediction accuracy of support vector machine (SVM) was 85.7%, and those of random forest (RF) and back propagation neural network (BPNN) were 100%. BPNN exhibited better classification performance and higher prediction rate for all testing set samples than those of RF. The study herein found that P. tomentosa had higher nutritional value and biological functions, and thus considered for usage in health products. Machine models based on untargeted metabolomics can be effective tools for distinguishing these two species.
研究领域:
植物科学
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代谢组学
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植物化学
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机器学习
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2020
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IF 4.006
Xianrui Liang,Yan Jiang,Zili Guo,Sheng Fang
Trapa quadrispinosa , commonly known as water caltrop, has long been consumed as a food in Asian countries and its pericarp is discarded as waste after the fruit is harvested. In this study, a reliable method was established using UPLC-QTOF-MS/MS to identify the main compounds in Trapa quadrispinosa pericarps (TQP). The UPLC parameters including column, mobile phase, and temperature were optimized. The extraction parameters including solvents, temperatures and solid-to-liquid ratios were also optimized. A total of 35 compounds were tentatively assigned. The QTOF-MS/MS fragmentation pathways of these compounds were proposed. The most abundant compound (1,2,3,6-tetra-O-galloyl- β - d -glucose) was further purified by a semi-preparative HPLC and confirmed by 1 H- and 13 C-NMR. Hydrolyzable tannins (gallotannins and ellagitannins) consisting of almost 90% polyphenols were obtained from the TQP extracts. Three of the main hydrolyzable tannins were 1,2,3,6-tetra-O-galloyl- β - d -glucose, tri-O-galloyl-hexahydroxydiphenoyl- d -glucose, and tri-O-galloyl- d -glucose. The TQP extracts exhibited better antioxidant activity in the DPPH assay than that of the ascorbic acid standard. This study provides valuable information for the utilization of TQP as an alternative source of plant-derived antioxidants.
研究领域:
分析化学
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植物化学
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食品科学
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药理学
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产品关联
DOI
高影响因子
JOURNAL OF FOOD BIOCHEMISTRY
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2016
·Vol. 40
·期 4
·603-612
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IF 0.832
Lu Zhang,Zong-Cai Tu,Hui Wang,Qing-Hui Wen,Zhi-Feng Fu,Xing Xie
Effects of dynamic high pressure microfluidization (DHPM), microwave, ultrasound, maceration and high temperature, on the phenolic acids and antioxidant activity of Artemisia selengensis Turcz (AST) were investigated. Microwave exhibited the best extraction efficacy on phenolic compounds and flavonoids with the content of 40.30 μg GAE/mg Extract, and 37.75 μg RTE/mg Extract, respectively. Microwave extract (MWE) also showed the strongest DPPH· and HO· scavenging ability (IC 50 value of 0.23 and 0.50 mg/mL, respectively), and reducing power (Ab 0.3 value of 0.23 mg/mL). Quinic acid, 3 caffeoylquinic acids (CQAs), 2 coumaroylquinic acids, 4 dicaffeoylquinic acids (diCQAs) were identified as the major phenolic acids in AST using HPLC-QTOF-MS/MS, and 3-CQA (63.71 μg/mL) showed the highest content followed by 1,5-diCQA (17.91 μg/mL) and 3,5-diCQA (13.50 μg/mL). MWE had the highest 3-CQA and diCQAs. While, high temperature could promote the degradation of diCQAs, 3- and 4-caffeoyl are more liable to decompose as compared with 1- and 5-caffeoyl. Practical Application Over production of reactive oxygen species (ROS) in body will induce various chronic diseases. AST is an underutilized vegetable with many health benefits. This research indicates that AST possessed appreciating antioxidant activities and abundant phenolic acids, it is could be a potentail antioxidants resource and for prevention of chronic diseases associated with ROS. It also suggested that microwave could be a promising method for extracting the antioxidants in AST. Therefore, this research could lay a foundation for the high-value application of AST in food, health care and natural therapy industry, and provide some methodological references for the development of antioxidants in AST.
研究领域:
药理学
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食品科学
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分析化学
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产品关联
DOI
高影响因子
Food & Function
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2019
·Vol. 10
·期 12
·8042-8055
·
IF 3.241
An Peng,Lianzhu Lin,Mouming Zhao,Baoguo Sun
This study was aimed at evaluating the prospect of edible chrysanthemum extract as a potential substance for the prevention and treatment of hyperuricemia. Chrysanthemum morifolium Ramat. ‘Boju’ extract (CBE), which had the strongest xanthine oxidase inhibitory activity, showed a significant hypouricemic effect on potassium oxonate-induced hyperuricemic rats through inhibiting serum xanthine oxidase activity, regulating renal uric acid transport-related protein (ABCG2, URAT1 and GLUT9) expression and blood lipid levels, and protecting renal function. Serum metabolomics based on UPLC-ESI-QTOF/MS was used to illustrate mechanisms underlying the amelioration effect of CBE on hyperuricemia. A total of 35 potential biomarkers were identified. CBE prevented the pathological process of hyperuricemia by regulating 16/17 biomarkers associated with tryptophan, sphingolipid, glycerophospholipid and arachidonic acid metabolisms. CBE could alleviate hyperuricemia-related diseases including chronic kidney disease, hyperlipidemia and inflammation via reducing indoxyl sulfate, lysophosphatidylcholines and arachidonic acid levels, exhibiting its applicability and superiority in the treatment of hyperuricemia.
研究领域:
药理学
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代谢组学
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生物化学
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肾脏生理学
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植物科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Zhi-Xin Peng,Hui-Wen Gu,Yuan Pan,Yan Wang,Jun Yan,Wanjun Long,Haiyan Fu,Yuanbin She
In recent years, red wine drinking has become more popular in China owing to its antioxidant effects. However, the key antioxidant compounds and their action mechanisms of Chinese red wines are still unclear. Herein, the antioxidant activities and chemical compositions of 45 Chinese Cabernet Sauvignon red wine samples were determined using chemical antioxidant assays and an UHPLC-QTOF-MS-based untargeted metabolomics method. The key antioxidant compounds in red wines and potential action mechanisms were revealed by integrating network pharmacology and molecular docking approaches. Results showed that there are 8 key antioxidant compounds in the red wine samples. These compounds are involved in several metabolic pathways in the body, particularly PI3K/AKT. What's more, they bind to the core antioxidant targets through hydrogen bonding and hydrophobic interaction. Among them, myricetin, laricitrin, 2,3,8-tri- O -methylellagic acid and AKT1 have the highest binding energies. This study could provide the theoretical basis for further investigation of physiological activities and functions of Chinese red wines.
研究领域:
食品科学
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药理学
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生物化学
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分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2016
·
IF 2.687
Yuxin Li,Yan Hong,Yanquan Han,Yongzhong Wang,Lunzhu Xia
Ginger ( Zingiber officinale Rosc.) is a common dietary adjunct that contributes to the taste and flavor of foods, and is also an important Traditional Chinese medicine (TCM). Different processing methods can produce different processed gingers with dissimilar chemical constituents and pharmacological activities. In this study, an ultra-performance liquid chromatography/quadrupole-time-of-flight mass spectrometry (UPLC/QTOF-MS) was applied to identify the complicated components from fresh, dried, stir-frying and carbonized ginger extracts. All of the 27 compounds were identified from four kinds of ginger samples (fresh, dried, stir-frying and carbonized ginger). Five main constituents (zingerone, 6-gingerol, 8-gingerol, 6-shogaol and 10-gingerol) in these four kinds of ginger sample extracts were simultaneously determined by UPLC-PDA. Meanwhile, the antioxidant effect of fresh, dried, stir-frying and carbonized gingers were evaluated by three assays (2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azinobis(3-ethylbenzthiazolinesulfonic acid) diammonium salt (ABTS), and ferric reducing antioxidant power (FRAP)). The results demonstrated that antioxidant activity of dried ginger was the highest, for its phenolic contents are 5.2-, 1.1- and 2.4-fold higher than that of fresh, stir-frying and carbonized ginger, respectively, the antioxidant activities’ results indicated a similar tendency with phenolic contents: dried ginger > stir-frying ginger > fresh ginger > carbonized ginger. The processing contributed to the decreased concentration of gingerols and the increased levels of shogaols, which reducing the antioxidant effects in pace with processing. This study elucidated the relationship of the heating process with the constituents and antioxidant activity, and provided a guide for choosing different kinds of ginger samples on clinical application.
研究领域:
食品科学
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中药学
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分析化学
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产品关联
DOI
PubMed
高影响因子
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
·
2017
·Vol. 32
·期 3
·262-268
·
IF 1.998
Xiafen Xu,Xinhui Li,Xianrui Liang
Rationale Metabolites of isoflavones have attracted much attention in recent years due to their potential bioactivities. However, the complex constituents of the metabolic system and the low level of metabolites make them difficult to analyze. A mass spectrometry (MS) method was applied in our identification of metabolites and study of their fragmentation pathways due to the advantages of rapidity, sensitivity, and low level of sample consumption. Methods Three isoflavone glycosides and their metabolites were identified using ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC/QTOF-MS). These metabolites were obtained by anaerobically incubating three isoflavone glycosides with human intestinal flora. The characteristic fragments of isoflavone glycosides and their metabolites were used for the identification work. Results Two metabolites from ononin, three metabolites from irilone-4′- O -β-D-glucoside, and five metabolites from sissotrin were identified respectively by the retention time (RT), accurate mass, and mass spectral fragmentation patterns. The losses of the glucosyl group, CO from the [M+H] + ion were observed for all the three isoflavone glycosides. The characteristic retro-Diels-Alder (RDA) fragmentation patterns were used to differentiate the compounds. The metabolic pathways of the three isoflavone glycosides were proposed according to the identified chemical structures of the metabolites. Conclusions A selective, sensitive and rapid method was established for detecting and identifying three isoflavone glycosides and their metabolites using UPLC/QTOF-MS. The established method can be used for further rapid structural identification studies of metabolites and natural products. Furthermore, the proposed metabolic pathways will be helpful for understanding the in vivo metabolic process of isoflavone.
研究领域:
分析化学
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药理学
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营养学
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产品关联
DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
·
2025
·
IF 5.1
Xinyue Lin,Luxi Zhou,Lingfang Chen,Qiyue Chen,Zhuming Jin,Peixi Zhu,Ni Yang
Houttuynia cordata Thunb. is a perennial herb with a distinct “fishy” flavour, commonly used in Asian cuisine and traditional medicine. To overcome the compound identification challenges in the composite formula of its mixture, a comprehensive two-dimensional ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (2D UHPLC-QTOF-MS) method was developed and identified 293 chemical compounds. Given the herb’s strong anti-inflammatory properties, network pharmacology was employed to predict potential targets, revealing TNF, AKT1, MMP9, and PTGS2 as key theoretical targets for its anti-inflammatory effects. Molecular docking showed strong binding energies between these targets and the top 10 compounds (8,13-dihydroxy-9,11-octadecadienoic acid, neobaicalein, chrysin, apigenin, genistein, chrysoeriol, norwogonin, cirsiliol, luteolin and deoxyandrographolide), with genistein exhibiting the highest affinity for AKT1 (−10.4 kcal/mol). This innovative approach, combining advanced 2D UHPLC-QTOF-MS with network pharmacology, offers great potential for screening active components in herbs and their complex mixtures.
研究领域:
中药学
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分析化学
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药理学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）