Analytical Methods
·
2014
·Vol. 6
·期 13
·4845-4852
·
IF 1.938
Qi Yun,Qingwang Liu,Cunyong He,Xiaohua Ma,Xiaoli Gao,Amer Talbi,Jianping Zhou
Nigella glandulifera Freyn et Sint seeds (NG) as well as Nigella sativa L. seeds (NS) have been employed as folk remedies for centuries. However, little work has been done on their quality control. In order to assess the quality and guarantee therapeutic effects, the chemical constituents of the two herbs were extensively characterized by ultra-performance liquid chromatography coupled with electrospray time-of-flight mass spectrometry (UPLC-Q-TOF/MS), and a simple, practical, and reliable HPLC fingerprinting method was established and applied to determination of 20 batches of samples. With their chromatographic fingerprints, the two species were successfully differentiated by pattern recognition methods, namely, principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA). Results from this study show that the proposed analytical methods can be applied to the quality control of the seeds and have high potential to ensure their safety and efficacy.
研究领域:
药用植物学
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分析化学
·
药学
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RSC Advances
·
2023
·Vol. 13
·期 14
·9585-9594
·
IF 3.9
Zheng-ming Qian,Xin-jie Cheng,Qiao Wang,Qi Huang,Li-ling Jin,Ya-fei Ma,Jia-sheng Xie,De-qiang Li
Polygonum viviparum L. (PV) is a widely used resource plant with high medicinal, feeding and ecological values. Our studies show that PV has strong antioxidant activity. However, up to date, the antioxidant activity and components in other parts were not fully elucidated. In the present study, a new online pre-column ferric ion reducing antioxidant power (FRAP)-based antioxidant reaction coupled with high performance liquid chromatography-diode array detector-quadrupole-time-of-flight mass spectrometry (HPLC-DAD-TOF/MS) was developed for rapid and high-throughput screening of natural antioxidants from three different parts of PV including stems and leaves, fruits and rhizomes. In this procedure, it was assumed that the peak areas of compounds with potential antioxidant activity in HPLC chromatograms would be greatly diminished or vanish after incubating with the FRAP. The online incubation conditions including mixed ratios of sample and FRAP solution and reaction times were firstly optimized with six standards. Then, the repeatability of the screening system was evaluated by analysis of the samples of stems and leaves of PV. As a result, a total of 21 compounds mainly including flavonoids and phenolic acids were screened from the three parts of PV. In conclusion, the present study provided a simple and effective strategy to rapidly screen antioxidants in natural products.
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2022
·
IF 3.318
Yuting Wang,Xin Sun,Jingwen Qiu,An Zhou,Pengbo Xu,Yarong Liu,Hongfei Wu
Atherosclerosis (AS) is a metabolic disorder commonly correlated with a high-fat diet (HFD). There are many endogenous metabolic changes associated with AS development. Gualou-Xiebai (GLXB) is a traditional Chinese medicine herb pair that has been used to treat AS. However, the mechanism of GLXB herb pair on the process of AS is still essentially unknown. In this study, aortic histopathological examination and biochemical analyses were used to validate the anti-atherosclerotic effects of GLXB herb pair on ApoE -/- mice during the disease course of AS. The mechanism of GLXB herb pair were performed by metabolomics approach based on ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS). As a result, GLXB herb pair has protective effects on AS lesion development and improves blood lipid levels in ApoE -/- mice. A total of 34, 39, and 49 metabolites were found to be profoundly altered in the 9-week, 14-week, and 19-week model groups compared with the corresponding control groups. Among them, 16, 18, and 18 metabolites showed a trend toward normal levels after pharmacological intervention. Metabolic pathway analysis found that GLXB herb pair mainly affects glycerophospholipid metabolism, pentose and glucuronate interconversions in 9 weeks; linoleic acid metabolism, cysteine and methionine metabolism, and arachidonic acid metabolism in 14 weeks; arachidonic acid metabolism and pentose and glucuronate interconversions in 19 weeks. The results demonstrated that GLXB herb pair mainly played a therapeutic role by regulating glycerophospholipid metabolism and pentose and glucuronate interconversions in the whole process of AS.
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Chinese Medicine
·
2022
·Vol. 17
·期 1
·1-16
·
IF 4.546
Chen Jia-Qian,Chen Yan-Yan,Du Xia,Tao Hui-Juan,Pu Zong-Jin,Shi Xu-Qin,Yue Shi-Jun,Zhou Gui-Sheng,Shang Er-Xin,Tang Yu-Ping,Duan Jin-Ao
Background Rhei Radix et Rhizoma (rhubarb), as one of the typical representatives of multi-effect traditional Chinese medicines (TCMs), has been utilized in the treatment of various diseases due to its multicomponent nature. However, there are few systematic investigations for the corresponding effect of individual components in rhubarb. Hence, we aimed to develop a novel strategy to fuzzily identify bioactive components for different efficacies of rhubarb by the back propagation (BP) neural network association analysis of ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry for every data (UPLC-Q-TOF/MSE) and integrated effects.Methods Through applying the fuzzy chemical identification, most components of rhubarb were classified into different chemical groups. Meanwhile the integration effect values of different efficacies can be determined by animal experiment evaluation and multi-attribute comprehensive indexes. Then the BP neural network was employed for association analysis of components and different efficacies by correlating the component contents determined from UPLC-Q-TOF/MSE profiling and the integration effect values. Finally, the effect contribution of one type of components may be totaled to demonstrate the universal and individual characters for different efficacies of rhubarb.Results It suggested that combined anthraquinones, flavanols and their polymers may be the universal character to the multi-functional properties of rhubarb. Other components contributed to the individuality of rhubarb efficacies, including stilbene glycosides, anthranones and their dimers, free anthraquinones, chromones, gallic acid and gallotannins, butyrylbenzenes and their glycosides.Conclusion sOur findings demonstrated that the bioactive components for different efficacies of rhubarb were not exactly the same and can be systematically differentiated by the network-oriented strategy. These efforts will advance our knowledge and understanding of the bioactive components in rhubarb and provide scientific evidence to support the expansion of its use in clinical applications and the further development of some products based on this medicinal herb.
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2021
·
IF 3.935
Yujiao Zhao,Shanshan Chu,Shuangying Gui,Yuejian Qin,Rui Xu,Tingyu Shan,Huasheng Peng
Heshouwu , derived from root tubers of Fallopia multiflor a (Thunb.) Harald., is a well-known herb used for millennia in traditional Chinese medicine. However, different forms of root tubers of Heshouwu have occurred in current Chinese herbal market and used in clinic, although it is still unknown whether their quality is consistent. In the present study, a mass spectrometry imaging and laser microdissection combined with UPLC-Q/TOF-MS were therefore used for the metabolite profiling on the whole and different parts of root tubers of F. multiflora and F. multiflora var. angulata . Our results suggested that the character of “woody heart” root tubers of F. multiflora was similar to that of F. multiflora var. angulata , but the latter had more phloem fibers and larger diameter vessel in the normal vascular bundle. Moreover, 140 compounds including stilbenes, anthraquinones, phenolic acids, naphthalenes, and other compounds were identified or putatively characterized from F. multiflora and F. multiflora var. angulata . Both unsupervised principal component analysis (PCA) and supervised Orthogonal Partial Least Squares Discrimination Analysis (OPLS-DA) multivariate statistics allowed discriminating F. multiflora and F. multiflora var. angulata . And a total of 32 potential markers were identified. The tissue-specific study indicated that the compounds in the phelloderm of F. multiflora and F. multiflora var. angulata were the most abundant. This is the first study on metabolite profiling and comparison of root tubers between F. multiflora and F. multiflora var. angulata , which would provide reasonable basis for further quality evaluation and safe medication of F. multiflora .
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Foods
·
2025
·Vol. 14
·期 14
·2490
·
IF 5.1
Yingqi Zhou,Yihong Wang,Jia Zheng,Siyi Pan,Xiaoyun Xu,Fang Yuan
Aroma is an important indicator for evaluating the quality of baijiu. In this study, we determined the aroma-active compounds in four representative brands of strong-aroma baijiu from Sichuan and Jianghuai regions through GC-MS/O, and GC-TOF-MS quantification. In addition, the non-volatile composition of four baijiu samples was quantified by BSTFA derivatization and GC-MS. By constructing a full recombination model containing both volatile and non-volatile components, the effect of different groups of non-volatile compounds on the aroma of strong-aroma baijiu was evaluated through recombination-omission tests. A total of 72 aroma-active compounds and 59 non-volatile compounds were identified and quantified. The results indicated that pyrazines, furfural, and furan derivatives displayed higher aroma intensities in strong-aroma baijiu produced in Sichuan compared to that produced in Jianghuai. The recombination model that included both aroma-active and non-volatile compounds showed a closer resemblance to the original baijiu samples, underscoring the critical role these compounds play in shaping the dominant aroma profile of strong-aroma baijiu. Non-volatile compounds significantly influenced six aroma attributes: fruity, sweet, sauce, pit, acidic, and alcoholic notes. Omission tests revealed that among posorly volatile organic acids, monobasic acids had distinct effects on the aroma profile, while dibasic acids did not show any noticeable influence on the sensory characteristics.
研究领域:
食品科学
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分析化学
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风味化学
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感官分析
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酿造技术
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Food Bioscience
·
2025
·
IF 5.9
Shu He,Zhengli Lu,Rurui Li,Chun Chen,Xiong Fu,Kin Weng Kong,Amin Ismail,Xuechun Zhang,Zhenxing Wang
This study evaluated the chemical composition and bioactivity of nine Dendrobium officinale from three cultivation modes (greenhouse, GC; understory, UC; and simulated wild, SWC) across China. Results demonstrated that UC-cultivated samples exhibited significantly higher flavonoid levels, antioxidant capacity, and α-glucosidase inhibition activity than those under GC/SWC modes. Using GC-IMS and UHPLC-TOF-MS, metabolomic profiling identified 27 volatile and 15 non-volatile biomarkers between different cultivation modes. Further KEGG analysis revealed the key signaling pathways of differential metabolites under different cultivation modes, including aminobenzoate degradation, phenylpropanoid biosynthesis, and phenylalanine metabolism. Overall, the cultivation mode significantly influences the chemical composition and biological activity of Dendrobium officinale , with the UC mode being relatively preferable. However, factors such as geographical distribution also play an important role. These findings provide actionable insights for quality control, cultivation optimization, and functional food/pharmaceutical applications of Dendrobium officinale .
研究领域:
生药学
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植物科学
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代谢组学
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植物化学
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功能食品研究
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药学
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高影响因子
Food Bioscience
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2024
·
IF 4.8
Hui-Bin Jiang,Pan Nie,Zi-Han Lin,Chuang Zhu,Ling-Yue Zhong,Fen-Fen Wei,Yan Wu,Li-Hua Song
Fermentation is a commonly used technique that can effectively enrich bioactive compounds, and further enhance the bioactivity of food. To effectively enrich polyphenols and flavonoids, the quinoa and black barley were co-fermented with Lactobacillus kisonensis in present study. The in vitro antioxidant bioactivities and inhibition rate on key enzymes related with glucose metabolism of the co-fermented cereals were evaluated; the secondary metabolites such as polyphenol and flavonoid were identified by UPLC-Q-TOF-MS E -untargeted metabolomics technique, and the KEGG (Kyoto Encyclopedia of Genes and Genomes) pathways were primarily analyzed. The results showed that the content of protein in the precipitate, as well as soluble and total dietary fiber, significantly increased ( p < 0.05) in the co-fermented quinoa with black barley compared to the fermentation of quinoa or black barley alone or to the un-fermentation groups. The total contents of polyphenol and flavonoid in the co-fermented grains were significantly increased by 55.65% and 25.90%, respectively, compared with the un-fermentation group ( p < 0.05). Elevated levels of polyphenol flavonoids, such as coumaric acid, (2R,3R)-Taxifolin7- O -α- l -rhamnopyranosyl-(1→6)-β- d -glucopyranoside and ferulic acid sodium, contributed to the significant improvement in in vitro bioactivities, such as antioxidant capacity and inhibitory activity on α-amylase and α-glucosidase. Correlation analysis revealed positive associations between 9 polyphenols and flavonoids in the supernatant and 12 in the precipitate with these in vitro bioactivities mentioned above. The enrichment of these metabolites is mainly involved in biosynthesis of flavonoid, anthocyanin, and phenylpropanoid. In summary, our study suggests that co-fermentation of quinoa and black barley is a promising approach to enhance the bioactivity of grains.
研究领域:
食品科学
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营养学
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生物化学
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微生物学
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代谢组学
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高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2024
·
IF 3.1
Fangqi Cao,Shuchen Yu,Xiujuan Chen,Lu Xiao,Tingting Qiu,Xiru Wang,Daiwen Zhang,Xiaoliang Yuan,Ping Shi
Synthetic cannabinoids (SCs) are an evolving class of new psychoactive substances (NPS) with structurally various compounds that are increasing over the past few years. Therefore, they are initially hard to identify because of the lack of analytical information. Moreover, there is little to no information regarding the pharmacology of these compounds despite human abuse. In the present study, gas chromatography-mass spectrometry (GC-MS), ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF MS), and nuclear magnetic resonance (NMR) spectroscopy were used to identify the structure of three compounds obtained from seized materials. The pharmacological properties of these compounds were evaluated by subsequent behavioral testing, including von Frey and cold allodynia tests. The results indicated that these compounds were determined to be 2-(1 H -indazole-3-carboxamido)-3,3-dimethylbutanoate (MDMB-INACA), N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1 H -indazole-3-carboxamide (ADB-INACA), and N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexyl-1 H -indazole-3-carboxamide (ADB-HINACA) via GC-MS, UPLC-Q-TOF MS and NMR analysis, and they can attenuate mechanical and cold allodynia induced by paclitaxel in rats with peripheral neuropathy. Compared with MDMB-INACA and ADB-HINACA, ADB-INACA showed better analgesic effects on paclitaxel-induced peripheral neuropathy (PIPN) in rats, and its effect was similar to that of the positive drug N′-(1-hexyl-2-oxoindolin-3-ylidene) benzohydrazide (MDA-19).
研究领域:
药理学
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毒理学
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分析化学
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高影响因子
Foods
·
2025
·Vol. 14
·期 14
·2441
·
IF 5.1
Erlin Zhai,Jing Zhang,Jiancai Zhu,Rujuan Zhou,Yunwei Niu,Zuobing Xiao
Lard imparts unique organoleptic properties that underpin its essential role in Chinese gastronomy; however, the specific lipid precursors contributing to its aroma remain unclear. This study explores the flavor formation mechanism of lard by comparing its texture and aroma at two preparation temperatures, 130 °C and 100 °C. We identified a total of 256 and 253 lipids at these temperatures, respectively, with triacylglycerols (TGs) and diacylglycerols (DGs) being the predominant lipid species. An HS-GC-IMS analysis detected 67 volatile compounds, predominantly aldehydes, acids, and alcohols. A subsequent Orthogonal Partial Least Squares-Discriminant Analysis (OPLS-DA) identified 49 discriminatory lipids and 20 differential volatiles. A correlation analysis showed a positive relationship between aldehydes and unsaturated triglycerides in lard, with TG (16:1-16:1-18:0), TG (17:2-18:1-18:1), TG (16:1-17:1-18:1), and TG (18:1-18:1-20:1) identified as characteristic markers at both temperatures. Furthermore, there was a positive correlation between ketones and alcohols and phospholipids and sphingolipids containing unsaturated fatty acid chains. TGs and glycerophospholipids (GPs), rich in polyunsaturated fatty acids, are likely key precursors driving the formation of distinct flavors during lard processing. This study elucidates the mechanistic interactions between lipids and volatile organic compounds, providing a framework for optimizing lard processing protocols and flavor modulation.
研究领域:
食品化学
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脂质科学
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风味化学
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分析化学
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食品加工
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LWT-FOOD SCIENCE AND TECHNOLOGY
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2022
·
IF 6.056
Lu Liang,Yuchen Liu,Yuxin Liu,Siyi Gan,Xuejin Mao,Yuanxing Wang
The herbal tea made from the leaves and stems of Cyclocarya paliurus is thought to be more flavorful than those made from the leaves only. However, evidence supporting this view is not available yet. 53 VOCs and 54 non-VOCs were identified via HS-SPME-GC-MS and UPLC-Q-TOF/MS, respectively, which were found to vary dramatically in three groups of samples (combination of stems and leaves, separated leaves, and separated stems). 11 VOCs and 18 non-VOCs potential markers are responsible for the change of metabolic effects through the biosynthesis of flavonoids, the synthesis of terpenoids, and the oxidation of fatty acids and carotenoids. In response, the stems were effective to enhance fatty odors, the initial astringency and bitterness and the aftertaste of sweetness of the leaves. Stems are conducive to increasing total phenolic content, total flavonoid content and antioxidant capacity of Cyclocarya paliurus herbal extract because of the increase in polyphenols. In addition, the stems have the potential to be used as raw materials for nerolidol and polyphenols extraction. This study has been the first to determine the contribution of stem to the flavor of Cyclocarya paliurus herbal tea and these results provide the theoretical basis for making Cyclocarya paliurus herbal tea with stems.
研究领域:
植物化学
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食品科学
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代谢组学
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高影响因子
Food Chemistry-X
·
2026
·
IF 9.2
Sinian Chen,Daomin Liu,Peng Zhang,Peifeng Zhu,Wenhong Tan,Lu Liu
Metapanax delavayi is widely consumed as a vegetable and herbal tea in western China; however, the impact of postharvest drying on its chemical composition and bioactivity remains insufficiently characterized. In this study, the effects of three drying methods-shade drying (SD), hot-air drying (HAD), and vacuum freeze-drying (VFD)-on the metabolite profile and antioxidant activity of M. delavayi were systematically investigated using UHPLC-Q-TOF-MS and GC–MS/MS-based untargeted metabolomics, combined with multivariate statistical analysis and KEGG pathway enrichment. A total of 742 non-volatile and 87 volatile differential metabolites were detected across the drying treatments, indicating pronounced processing-induced metabolic alterations. KEGG enrichment analysis revealed that the differential metabolites were mainly associated with flavonoid biosynthesis, amino acid metabolism, galactose metabolism, and glycolysis/gluconeogenesis. Antioxidant assays (DPPH, ABTS, hydroxyl radical scavenging activity, and FRAP) demonstrated significant differences among drying methods, with VFD-treated samples generally exhibiting higher antioxidant capacity. Correlation analysis suggested that phenolic and flavonoid metabolites were major contributors to antioxidant activity. Overall, compared with SD and HAD, VFD showed a greater capacity to preserve phytochemical composition and antioxidant potential. These findings provide a scientific basis for optimizing drying strategies and improving the quality of M. delavayi -derived products.
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高影响因子
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