Mining of mass spectrometry data of red ginseng and screening method of specific markers

A technology of mass spectrometry data and screening methods, which is applied in mining and screening of specific markers to quickly discover the biomarkers of red ginseng, which can solve the problems of ambiguity in exact definition, incomplete storage and processing, etc.

Active Publication Date: 2020-07-07
DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, some red ginseng biomarkers are also present in white ginseng due to uncertainties in storage and processing, and the exact definition of “unique characteristics / markers” is also ambiguous. Therefore, biomarkers of true red ginseng still need to be explored

Method used

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  • Mining of mass spectrometry data of red ginseng and screening method of specific markers
  • Mining of mass spectrometry data of red ginseng and screening method of specific markers
  • Mining of mass spectrometry data of red ginseng and screening method of specific markers

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0032] 1. Extraction of red ginseng and ginseng compounds:

[0033] Solvent extraction: crush 50 red ginseng from different sources (different pharmacies) and 50 white ginseng medicinal materials from different sources (different pharmacies), take 100 mg respectively, put them in 2 ml centrifuge tubes, add 0.5 ml volume concentration to be 10 % of acetonitrile aqueous solution is the extract, mix well; ultrasonic (1130W, 37 kHz) for 15 minutes, separate, collect the solvent, repeat the extraction 2 times, combine the extracts to obtain extract 1; add 0.5ml of dregs to make the concentration 80% Acetonitrile water, mixed evenly, ultrasonic for 15 minutes, separated, collected solvent, repeated extraction 2 times, combined extracts to obtain extract 2; add 8 μL DMSO to extracts 1 and 2 respectively, and concentrate in vacuo (remove acetonitrile , water), to obtain Concentrate 1 and Concentrate 2 respectively; Dissolve Concentrate 1 and Concentrate 2 in 200 μL of 10% acetonitrile...

Embodiment 2

[0053] 1. Extraction of red ginseng and ginseng compounds:

[0054] Solvent extraction: crush 50 red ginseng from different sources (different pharmacies) and 50 white ginseng medicinal materials from different sources (different pharmacies), take 100 mg respectively, put them in 2ml centrifuge tubes, add 0.4ml volume concentration to be 20 % of acetonitrile aqueous solution is the extract, mix well; ultrasonic (1130W, 37 kHz) for 20 minutes, separate, collect the solvent, repeat the extraction 3 times, combine the extracts to obtain the extract 1; add 0.4ml of dregs and the concentration is 90% Acetonitrile and water, mixed evenly, ultrasonicated for 20 minutes, separated, collected the solvent, repeated extraction 3 times, combined the extracts to obtain the extract 2; respectively added 10 μL dimethyl sulfoxide to the extracts 1 and 2, concentrated in vacuo (removed acetonitrile , water), to obtain concentrate 1 and concentrate 2 respectively; concentrate 1 and concentrate ...

example 2

[0069] Example 2 result and table 1 in example 1, Picture 1-1 , Figure 1-2 , figure 2 , Figure 3-1 , Figure 3-2 The results are consistent, and the prediction accuracy rate is 100%.

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Abstract

The invention discloses a method for mining mass spectrum data of red ginseng and discovering specific markers, comprising the following steps: separating the extract of red ginseng and white ginseng through liquid chromatography and then analyzing by mass spectrometry; collecting mass spectra and aligning them by data processing software m / z, Retention time, peak intensity, etc. of each feature; use metabolomics-related software to perform principal component analysis on the standardized data, and obtain a score map expressing sample similarity and difference; use univariate statistical analysis methods to determine Biomarkers of red ginseng; Further confirm the uniqueness of red ginseng biomarkers through medicinal materials of other species of Panax genus; Use the powerful biomarkers of red ginseng as the input layer of artificial neural network Identification of red ginseng; the method of the invention can quickly and accurately find out the biomarkers of red ginseng, and also provide new ideas and methods for searching for biomarkers of other Chinese medicinal materials.

Description

technical field [0001] The invention belongs to the field of plant omics, and relates to a method for rapidly discovering biomarkers of red ginseng, in particular to a method for mining red ginseng mass spectrum data and screening specific markers. Background technique [0002] Ginseng is processed into white and red ginseng by air-drying or steaming at 98-100°C, respectively, to improve its shelf life and medicinal activity. Previous studies have shown that triterpenoid saponins are their main bioactive components, about 70 ginsenosides were isolated, and there are more than 600 compounds in ginseng characterized by mass spectrometry or tentatively identified. There are many similar components in red ginseng and white ginseng, such as ginsenosides, polysaccharides and lipids. There are at least 16 different amino acids in ginseng, and its high reducing sugar easily triggers the Maillard reaction when preparing red ginseng, resulting in the formation of maltol, arginyl-fruc...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N30/86G06N3/02G06K9/62
CPCG06N3/02G01N30/86G06F18/2135
Inventor 张晓哲赵强赵楠程孟春刘欣欣
Owner DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI
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