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A method for obtaining powder diffraction files of botanical medicinal materials

A technology of medicinal powder and powder diffraction, which is applied in the field of X-ray diffraction analysis of medicinal materials, can solve problems such as inability to accurately characterize, obtain powder diffraction files, limit the application of XRD fingerprints, etc., and achieve the effect of solving analytical problems

Inactive Publication Date: 2016-08-17
QINGHAI NORMAL UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

Due to the large amount of organic components contained in plant medicinal materials, their XRD fingerprints show diffuse broad peaks. Using traditional XRD qualitative and quantitative analysis software, there are no obvious characteristic peaks or no peaks to be found at all, and it is impossible to accurately characterize them. to its powder diffraction file (PDF card), which limits the application of XRD fingerprints

Method used

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  • A method for obtaining powder diffraction files of botanical medicinal materials
  • A method for obtaining powder diffraction files of botanical medicinal materials
  • A method for obtaining powder diffraction files of botanical medicinal materials

Examples

Experimental program
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Effect test

Embodiment 1

[0023] 1. Obtain the X-ray diffraction pattern of the medicinal material Schisandra chinensis

[0024] The medicinal material Schisandra chinensls (Turcz) Baill was dried in a drying oven at 70°C, then repeatedly pulverized with a pulverizer, and passed through a 200-mesh sieve to obtain a powder sample of Schisandra chinensls (Turcz) Baill. Type X-ray diffractometer (provided by Liaoning Dandong Instrument Equipment Factory) for testing, the test conditions are: step width 0.03 degrees, tube pressure 35kV, tube flow 20mA, Kα radiation of copper target, filter is nickel, continuous scanning, time constant 0.5 seconds, the scanning range is 10°~80°, and the MDI format X-ray diffraction pattern of Schisandra chinensis is obtained, see figure 1 .

[0025] 2. Obtain the second derivative fingerprint of the medicinal material Schisandra chinensis

[0026] Remove the header information of the MDI format X-ray diffraction pattern file of Schisandra chinensis, convert it into a text...

Embodiment 2

[0032] According to the method in Example 1, the powder diffraction file of the medicinal material Schisandra chinensis and the medicinal material Gentiana macrophylla (Gentiana macrophylla) was prepared, wherein the scanning range of step 1 was 3° to 90°, other conditions and steps were the same as in Example 1, and the PDF card of the medicinal material Gentiana macrophylla was obtained , see the result Figure 5 .

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Abstract

The invention discloses a method for obtaining a powder diffraction file of a plant medicinal material, which comprises the following steps: firstly obtaining an X-ray diffraction pattern file of a plant medicinal material, converting the file into a TXT-format text file only including a diffraction angle and corresponding diffraction intensity, denoising and smoothing the pattern signals by a Savitzky-Golay smoothing filter, then performing B-spline interpolation fitting, solving a second derivative of the fitted curve function to obtain a second derivative fingerprint, performing peak searching treatment by a symmetric zero-area conversion method to obtain the searched diffraction peak angle and diffraction intensity, calculating interplanar crystal spacing by using a Bragg formula, and finally preparing the powder diffraction file of the plant medicinal material according to an international standard powder diffraction file format. The method of the invention completely mines pattern fingerprint information of plant medicinal materials by means of signal processing technology, solves the problems of analysis of X-ray diffraction patterns of plant medicinal materials, and expands the application of XRD.

Description

technical field [0001] The invention belongs to the technical field of X-ray diffraction pattern analysis of medicinal materials, and in particular relates to a method for obtaining powder diffraction files of plant medicinal materials. Background technique [0002] In recent years, X-ray diffraction fingerprints have been introduced in the field of medicinal material analysis to characterize and identify medicinal materials, and good results have been achieved, but they are limited to mineral and fossil medicinal materials with good crystallinity. Due to the large amount of organic components contained in plant medicinal materials, their XRD fingerprints show diffuse broad peaks. Using traditional XRD qualitative and quantitative analysis software, there are no obvious characteristic peaks or no peaks to be found at all, and it is impossible to accurately characterize them. To its powder diffraction file (PDF card), the application of XRD fingerprint is limited. Therefore,...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N23/20
Inventor 杨维丰刘远胡忠山胡成西董虎林张薇薇
Owner QINGHAI NORMAL UNIV