UPLC-QTOF-MS/MS-guided isolation and purification of sulfur-containing derivatives from sulfur-fumigated edible herbs, a case study on ginseng

Zhang, Li; Shen, Hong; Xu, Jun; Xu, Jin–Di; Li, Zhenling; Wu, Jie; Zou, Ye-Ting; Liu, Lifang; Li, Songlin

doi:10.1016/j.foodchem.2017.10.151

Cited by 31 publications

(15 citation statements)

References 21 publications

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“…Untargeted metabolomics can be employed to analyze datasets when little is known about the composition of the sample set and when the variance between samples could be attributed to several sources [Kellogg, 2016; Tao, 2018; Cappello, 2018]. Metabolomics can be used to distinguish one group of samples from another based on unique chemical profiles, and has been applied to a wide scope of biological and chemical applications, including identification of toxicological or disease biomarkers [Sun, 2018], natural product drug discovery [Kellogg, 2016], identification of secondary metabolites in Gram negative bacteria [Depke, 2017] and characterization of botanicals (black tea, green tea, ginseng, coffee) [Guo, 2018; Kellogg, 2017; Lu, 2013; Souard, 2018; Zhang, 2018].…”

Section: Introductionmentioning

confidence: 99%

Detection of adulteration in Hydrastis canadensis (goldenseal) dietary supplements via untargeted mass spectrometry-based metabolomics

Wallace

Oberlies

Cech

et al. 2018

Food and Chemical Toxicology

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Current estimates report that approximately 25% of U.S. adults use dietary supplements for medicinal purposes. Yet, regulation and transparency within the dietary supplement industry remains a challenge, and economic incentives encourage adulteration or augmentation of botanical dietary supplement products. Undisclosed changes to the dietary supplement composition could impact safety and efficacy; thus, there is a continued need to monitor possible botanical adulteration or mis-identification. Goldenseal, Hydrastis canadensis L. (Ranunculaceae), is a well-known botanical used to combat bacterial infections and digestive problems and is widely available as a dietary supplement. The goal of this study was to evaluate potential adulteration in commercial botanical products using untargeted metabolomics, with H. canadensis supplements serving as a test case. An untargeted ultraperformance liquid chromatography-mass spectrometry (LC-MS) metabolomics analysis was performed on 35 H. canadensis commercial products. Visual inspection of the chemometric data via principal component analysis (PCA) revealed several products that were distinct from the main groupings of samples, and subsequent evaluation of contributing metabolites led to their confirmation of the outliers as originating from a non-goldenseal species or a mixture of plant materials. The obtained results demonstrate the potential for untargeted metabolomics to discriminate between multiple unknown products and predict possible adulteration.

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Section: Introductionmentioning

confidence: 99%

Detection of adulteration in Hydrastis canadensis (goldenseal) dietary supplements via untargeted mass spectrometry-based metabolomics

Wallace

Oberlies

Cech

et al. 2018

Food and Chemical Toxicology

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“…Moreover, there are currently neither reports on the formation of new sulfur-fumigation markers during the sulfur fumigation process of TR nor reports on the regulation of the chemical conversion of different levels of sulfur fumigation. At present, non-targeted metabolomics and targeted metabolomics based on LC-QTOF-MS or LC-QTRAP-MS have become more mature in the analysis of the chemical composition of Chinese herbal medicines and the mining of quality control indicators ( Ma et al., 2014 ; Li et al., 2016 ; Dai et al., 2018 ; Wei et al., 2018 ; Zhang et al., 2018 ; Shengyun et al., 2019 ; Jiang et al., 2020 ). Specifically, broadly targeted metabolomics is a detection technology that integrates the “extensiveness” of non-targeted metabolomics with the “accuracy” of targeted metabolomics ( Luo et al., 2018 ; Zhu et al., 2018 ).…”

Section: Introductionmentioning

confidence: 99%

A Practical Protocol for a Comprehensive Evaluation of Sulfur Fumigation of Trichosanthis Radix Based on Both Non-Targeted and Widely Targeted Metabolomics

Kang

Yang

et al. 2020

Front. Plant Sci.

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Trichosanthis Radix (TR) is one of the most severely sulfur-fumigated herbs in the market, whose transformation mechanism of chemical compositions and sulfur-fumigation markers of TR have not been clarified. To excavate characteristic sulfur-fumigation markers of TR samples, this study brings up a practical protocol using both ultraperformance liquid chromatography/quadrupole time-of-flight-mass spectrum (UPLC-ESI-QTOF-MS/MS)-based non-targeted metabolomics and ultra-performance liquid chromatography/electrospray ionization/quadrupole multiple-stage linear ion-trap mass spectrum (UPLC-ESI-QTRAP-MS/MS)-based widely targeted metabolomics. The results of study demonstrated that five characteristic markers are sulfur-containing components, which were identified as p-Hydroxybenzyl hydrogen sulfite, cucurbitacin D sulfite I, cucurbitacin D sulfite II, cucurbitacin B sulfite I, and cucurbitacin B sulfite II, respectively. Additionally, cucurbitacin B and D were also filtered and identified as the characteristic sulfur-fumigation markers. Meanwhile, the different sulfur-fumigation extent of TR samples was tested by chemical transformations analysis and sulfur dioxide residues test. Further, 58.16% (139 of 239) of the differential metabolites content significantly reduced in sulfur-fumigated TR samples. Besides, 20 kinds of non-sulfur marker metabolites were tested to evaluate the quality of TR samples before and after sulfur fumigation, predominantly including phenolic acids, amino acids, lipids and nucleotides. Taking TR as an example, this work provides a comprehensive practical protocol for the quality supervision of sulfur-fumigation herbs.

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“…Metabolites include carbohydrates, amino acids, nucleic acids, lipids, vitamins, organic acids, polyphenols, alkaloids, and inorganic species. A range of analytical techniques is applied, with either nuclear magnetic resonance (NMR), also known as magnetic resonance spectroscopy (MRS), or, more frequently, mass spectrometry (MS)-based platforms being routinely employed in assessing the metabolic fingerprint, the later method as a combination with other analysis techniques (i.e., gas-chromatography-mass spectrometry (GC-MS), liquid chromatography-mass spectrometry (LC-MS) (2, 3), ultra-performance liquid-chromatography tandem mass spectrometry (UPLC–MS/MS) (4, 5), ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC/Q - TOF - MS) (6, 7), capillary electrophoresis (CE-MS) (8, 9) or matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) (10, 11) etc.) to overcome the limitations of MS, such as erroneous interpretation of the metabolomic analysis in presence of impurities or modest reproducibility of the method (12, 13).…”

Section: Introductionmentioning

confidence: 99%

Metabolomics—A Promising Approach to Pituitary Adenomas

Pînzariu

Georgescu

2019

Front. Endocrinol.

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Background: Metabolomics—the novel science that evaluates the multitude of low-molecular-weight metabolites in a biological system, provides new data on pathogenic mechanisms of diseases, including endocrine tumors. Although development of metabolomic profiling in pituitary disorders is at an early stage, it seems to be a promising approach in the near future in identifying specific disease biomarkers and understanding cellular signaling networks.Objectives: To review the metabolomic profile and the contributions of metabolomics in pituitary adenomas (PA).Methods: A systematic review was conducted via PubMed, Web of Science Core Collection and Scopus databases, summarizing studies that have described metabolomic aspects of PA.Results: Liquid chromatography tandem mass spectrometry (LC-MS/MS) and nuclear magnetic resonance (NMR) spectrometry, which are traditional techniques employed in metabolomics, suggest amino acids metabolism appears to be primarily altered in PA. N-acetyl aspartate, choline-containing compounds and creatine appear as highly effective in differentiating PA from healthy tissue. Deoxycholic and 4-pyridoxic acids, 3-methyladipate, short chain fatty acids and glucose-6-phosphate unveil metabolite biomarkers in patients with Cushing's disease. Phosphoethanolamine, N-acetyl aspartate and myo-inositol are down regulated in prolactinoma, whereas aspartate, glutamate and glutamine are up regulated. Phosphoethanolamine, taurine, alanine, choline-containing compounds, homocysteine, and methionine were up regulated in unclassified PA across studies. Intraoperative use of ultra high mass resolution matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI), which allows localization and delineation between functional PA and healthy pituitary tissue, may contribute to achievement of complete tumor resection in addition to preservation of pituitary cell lines and vasopressin secretory cells, thus avoiding postoperative diabetes insipidus.Conclusion: Implementation of ultra high performance metabolomics analysis techniques in the study of PA will significantly improve diagnosis and, potentially, the therapeutic approach, by identifying highly specific disease biomarkers in addition to novel molecular pathogenic mechanisms. Ultra high mass resolution MALDI-MSI emerges as a helpful clinical tool in the neurosurgical treatment of pituitary tumors. Therefore, metabolomics appears to be a science with a promising prospect in the sphere of PA, and a starting point in pituitary care.

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UPLC-QTOF-MS/MS-guided isolation and purification of sulfur-containing derivatives from sulfur-fumigated edible herbs, a case study on ginseng

Cited by 31 publications

References 21 publications

Detection of adulteration in Hydrastis canadensis (goldenseal) dietary supplements via untargeted mass spectrometry-based metabolomics

Detection of adulteration in Hydrastis canadensis (goldenseal) dietary supplements via untargeted mass spectrometry-based metabolomics

A Practical Protocol for a Comprehensive Evaluation of Sulfur Fumigation of Trichosanthis Radix Based on Both Non-Targeted and Widely Targeted Metabolomics

Metabolomics—A Promising Approach to Pituitary Adenomas

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