Characterization of chemical composition variations in raw and processed Codonopsis Radix by integrating metabolomics and glycomics based on multiple chromatography‐mass spectrometry technology

Wang, Yan; Zhang, Jingjing; Wang, Zixia; Cui, Fang; Zhang, Qian-Nian; Song, Pingping; Li, Bing; Tang, Zhuoshi; Hu, Fangdi; Shi, Xin

doi:10.1002/jssc.202200062

Cited by 12 publications

(13 citation statements)

References 30 publications

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“…Traditionally, doctors of Chinese medicine prescribe Codonopsis Radix to strengthen spleen, tonify lung, nourish blood and generate fluid. Besides, Codonopsis Radix is utilized as a nutraceutical component in conventional foods, functional foods, and dietary supplements 4 . The roots are also used in Chinese tonic teas and soups, as well as being roasted with millet, eaten raw, baked, or pickled in miso 5 .…”

Section: Introductionmentioning

confidence: 99%

Data fusion of electronic noses and electronic tongues aids in botanical origin identification on imbalanced Codonopsis Radix samples

Wang¹,

Lin²,

Zhang³

et al. 2022

Sci Rep

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Codonopsis Radix (CR) is an edible food and traditional Chinese herb medicine in China. Various varieties of Codonopsis Radix have different tastes. To make the flavor of processed food stable, two kinds of electronic sensory devices, electronic nose and electronic tongue, were used to establish a discrimination model to identify the botanical origin of each sample. The optimal model built on the 88 batches of samples was selected from the models trained with all combination of two pretreatment methods and three classification methods. A comparison were performed on the models trained on the data collected by electronic nose and electronic tongue. The results showed that the model trained on the fused dataset outperformed the models trained separately on the electronic nose data and electronic tongue data. The two preprocessing approaches could improve the prediction performance of all classification methods. Classification and Regression Tree approach performed better than Partial Least Square Discriminant Analysis and Linear Discriminant Analysis in terms of accuracy. But Classification and Regression Tree tends to assign the samples of minority class to the majority class. Meanwhile, Partial Least Square Discriminant Analysis keeps a good balance between the identification requirements of all the two groups of samples. Taking all the results above, the model built using the Partial Least Square Discriminant Analysis method on the fused data after z-score was used to identify the botanical origin of Codonopsis Radix.

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Section: Introductionmentioning

confidence: 99%

Data fusion of electronic noses and electronic tongues aids in botanical origin identification on imbalanced Codonopsis Radix samples

Wang¹,

Lin²,

Zhang³

et al. 2022

Sci Rep

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show abstract

“…In negative ion mode, P17 and P24 showed the same precursor ion [M−H] − at m/z 469.1352, and the fragment ions at m/z 325.10, 163.04, and 119.05 were observed in their MS/MS spectra, which were correspondence with [M−H−C 6 H 8 O 4 ] − , [M−H−C 6 H 8 O 4 −C 6 H 10 O 5 ] − , and [M−H−C 6 H 8 O 4 −C 6 H 10 O 5 −CO 2 ] − , respectively. By comparing the MS data with the reference [15], P17 and P24 were tentatively identified as tangshenoside V and isomer of tangshenoside V. Similarly, P12 was presumed as tangshenoside I.…”

Section: Resultsmentioning

confidence: 94%

“…Terpenoids are the key active compounds of Baizhu, Muxiang, Fuling, and Danshen, with biological effects on liver protection, lipid‐lowering, anti‐inflammatory, and anti‐tumor [13−15]. The terpenoids of SDG could be assigned as sesquiterpene, diterpenes, and triterpenes according to the number of isoprene units.…”

Section: Resultsmentioning

confidence: 99%

“…Phenylpropanoids are the one of important active compounds of Dangshen with multiple effects on liver protection, immunomodulatory and anti‐inflammation [15]. Three phenylpropanoids (P12, tangshenoside I; P17, tangshenoside V; P24, the isomer of tangshenoside V) were tentatively characterized.…”

Section: Resultsmentioning

confidence: 99%

“…Among them, D‐mannitol (P1) and palmitic acid (P87) were identified through the reference standards. Based on the MS and MS/MS data, the other nine compounds were presumed by comparing the MS fragment pattern with the relevant publications [13−15].…”

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Global characterization of chemical compounds in Shidan granule and their metabolites in rat plasma using ultra‐high‐performance liquid chromatography coupled with quadrupole‐time of flight mass spectrometry

Wang

et al. 2022

J of Separation Science

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Shidan granule is an in-hospital traditional Chinese medicine prescription with obvious clinical effects in the treatment of chronic atrophic gastritis. Characterizing the compounds of Shidan granule and exploring the absorbed prototype constituents and metabolites in the blood is significant to understand its effective compounds. In this work, a reliable approach based on ultra-high-performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry was performed for systematic analysis of chemical substances of Shidan granule and their metabolites in rat plasma. The compounds were rapidly characterized using integrated filtering methods, including mass defect filtering, neutral loss filtering, and diagnostic fragment ions filtering. As a result, 87 compounds were tentatively or unambiguously characterized. In rat plasma, a total of 79 components, including 21 prototype constituents and 58 metabolites, were preliminarily determined. And flavonoids-related, phenolic acids-related, saponins-related and terpenoids-related compounds were the main precursors of these metabolites. Phase I reactions (methylation, demethylation, hydroxylation, hydrogenation, and oxidation) and phase II reactions (glucuronidation, glucosidation, and sulfation) were observed as the major metabolic pathways of Shidan granule. It is the first comprehensive study on the metabolism of Shidan granule in vivo, which could offer a solid scientific basis for exploring the multiple effects and therapeutic mechanisms of Shidan granule.

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Analysis of 14 terpenoids and sterols and variety discrimination of Codonopsis Radix using ultra‐high‐performance liquid chromatography‐quadrupole‐time‐of‐flight mass spectrometry

Tang

et al. 2023

J of Separation Science

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Recently, we confirmed that the 95% ethanol-extracted fraction of Codonopsis Radix, which contains several triterpenoids and sterols, possesses pharmacological activities. However, due to the low content and diverse types of triterpenoids and sterols, their similar structures, lack of ultraviolet absorption, and difficulty in obtaining controls, few studies have so far assessed their contents in Codonopsis Radix. We accordingly constructed an ultra-high-performance liquid chromatography-quadrupole-time-of-flight mass spectrometry technique for the simultaneous quantitative determination of 14 terpenoids and sterols. Separation was performed on the Waters Acquity UPLC HSS T3 C 18 column (100 × 2.1 mm, 1.8 μm) with 0.1% formic acid (A) and 0.1% formic acid in methanol (B) as mobile phase under gradient elution. The determination coefficients for each of the matrix calibration curves were ≥0.9925. The average recovery ranged from 81.25% to 118.05%, with relative standard deviations of <4%. The contents of 14 components in 23 batches were quantified and further analyzed through chemometrics. Linear discriminant analysis can distinguish sample varieties. The quantitative analysis method can accurately determine the contents of 14 components and thereby provide the chemical basis for the quality control of Codonopsis Radix. It also could be a valuable approach for the classification of different Codonopsis Radix varieties.Article Related Abbreviations: LDA, linear discriminant analysis; PCA, principal component analysis; UHPLC-Q-TOF-MS, ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry.Wen Li and Xu X contributed equally to this work.

show abstract

Characterization of chemical composition variations in raw and processed Codonopsis Radix by integrating metabolomics and glycomics based on multiple chromatography‐mass spectrometry technology

Cited by 12 publications

References 30 publications

Data fusion of electronic noses and electronic tongues aids in botanical origin identification on imbalanced Codonopsis Radix samples

Data fusion of electronic noses and electronic tongues aids in botanical origin identification on imbalanced Codonopsis Radix samples

Global characterization of chemical compounds in Shidan granule and their metabolites in rat plasma using ultra‐high‐performance liquid chromatography coupled with quadrupole‐time of flight mass spectrometry

Analysis of 14 terpenoids and sterols and variety discrimination of Codonopsis Radix using ultra‐high‐performance liquid chromatography‐quadrupole‐time‐of‐flight mass spectrometry

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