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Method of excavating mass spectrum data and screening specific marker of red ginseng

A technology of mass spectrometry data and screening methods, which is applied in the field of rapid discovery of red ginseng biomarkers, mining and screening of specific markers, can solve the problems of storage and processing indefinitely, exact definition fuzzy, etc., and achieve weakening ion suppression , high accuracy, and the effect of improving analytical throughput

Active Publication Date: 2018-09-28
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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  • Method of excavating mass spectrum data and screening specific marker of red ginseng
  • Method of excavating mass spectrum data and screening specific marker of red ginseng
  • Method of excavating mass spectrum data and screening specific marker of red ginseng

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 of excavating mass spectrum data and finding a specific marker of red ginseng. The method includes following steps: a) performing liquid chromatogram separation to redginseng and white ginseng extracts and performing mass spectrum analysis; b) collecting the mass spectrum, and aligning m / z, Retention time, peak intensity and the like of every features by means ofdata processing software; c) performing principal component analysis to standardized data on metabonomics related software to obtain a score figure expressing sample similarity and differentiation; d)determining a biomarker of the red ginseng through a univariate statistics analytic method; e) further determining uniqueness of the biomarker of the red ginseng by means of other species in Panax genus; f) with the strong biomarker of the red ginseng as an input layer of artificial neural network, identifying red ginseng from various species in Panax genus medicines. The method can quickly and accurately find out the biomarker of the red ginseng and supplies new thinking and methods for searching biomarkers from other traditional Chinese medicines.

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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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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