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Method for identifying traditional Chinese medicinal materials by combining infra-red spectra with cluster analysis

A technology of cluster analysis and infrared spectroscopy, which is applied in the field of medicinal material detection and infrared spectroscopy for medicinal material detection, can solve problems such as the inability to guarantee background information, and achieve the effects of easy popularization and application, simple measurement and operation, and automation

Active Publication Date: 2009-09-16
TIANJIN TASLY MORDEN TCM RESOURCES
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0007] In the cluster analysis of Chinese herbal medicines, since the samples of Chinese herbal medicines are multi-component, it would be one-sided to use concentration as the clustering object, while using spectrum as the clustering object is more direct than using concentration, because the spectrum contains There is a lot of information. If you use one concentration for clustering and establish a standard sample set, you can only divide the concentration evenly and fully contain the information of the concentration, but it cannot guarantee the background information of the sample.

Method used

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  • Method for identifying traditional Chinese medicinal materials by combining infra-red spectra with cluster analysis
  • Method for identifying traditional Chinese medicinal materials by combining infra-red spectra with cluster analysis
  • Method for identifying traditional Chinese medicinal materials by combining infra-red spectra with cluster analysis

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0031] Example 1 Mid-infrared cluster analysis of Danshen medicinal materials from different origins

[0032] (1) Select Danshen medicinal materials - 30 batches of samples from Shandong and Sichuan. In 2006, Shaanxi base provided 32 batches of qualified medicinal materials in production.

[0033] (2) Carry out mid-infrared spectrum detection to obtain an infrared spectrum: the Spectrum one Fourier transform mid-infrared spectrometer of Perkin-Elmer Company is adopted, and the measurement range is 4000~400cm -1 , the number of scanners is 16 times, and the resolution is 4cm -1 .

[0034] (3) Using the principal component analysis algorithm in SIMCA software to establish a standard model of mid-infrared clustering, the selected reference is the standard infrared spectrum one-dimensional spectrum of Danshen medicinal materials provided by China Biological Products Inspection ( figure 1 ), the specific parameter indicators determined include spectral residuals, modeling residua...

Embodiment 2

[0043]Example 2 Mid-infrared Cluster Analysis of Genuine and Counterfeit Medicinal Materials of Spatholobus Spatholobus

[0044] (1) Select 30 batches of medicinal materials of Caulis Spatholobus and Spatholobus Spatholobus (common counterfeit products).

[0045] (2) Carry out mid-infrared spectrum detection to obtain an infrared spectrum: the Spectrum one Fourier transform mid-infrared spectrometer of Perkin-Elmer Company is adopted, and the measurement range is 4000~400cm -1 , the number of scanners is 16 times, and the resolution is 4cm -1 .

[0046] (3) Using the principal component analysis algorithm in the SIMCA software to establish a standard model of mid-infrared clustering, the selected reference is the standard infrared spectrum one-dimensional spectrum of Caulis Spatholobus provided by China Biological Products Inspection ( image 3 ), the specific parameter indicators determined include spectral residuals, modeling residuals, combined residuals, modeling weights...

Embodiment 3

[0055] Example 3 Cluster Analysis of Genuine Pinellia and Counterfeit Medicinal Materials

[0056] (1) Select 30 batches each of pinellia, pinellia, and araceae.

[0057] (2) Carry out mid-infrared spectrum detection to obtain an infrared spectrum: the Spectrum one Fourier transform mid-infrared spectrometer of Perkin-Elmer Company is adopted, and the measurement range is 4000~400cm -1 , the number of scanners is 16 times, and the resolution is 4cm -1 .

[0058] (3) Using the principal component analysis algorithm in SIMCA software to establish a standard model of mid-infrared clustering, the selected reference is the standard infrared spectrum one-dimensional spectrum of Pinellia medicinal materials provided by China Biological Products Inspection ( Figure 5 ), the specific parameter indicators determined include spectral residuals, modeling residuals, combined residuals, modeling weights, class distances, and resolution weights.

[0059] F-Test (%): 10.0

[0060] Backwa...

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Abstract

The invention provides a method for identifying traditional Chinese medicinal materials by combining infra-red spectra with cluster analysis, which includes the following steps of: (1) selecting a same traditional Chinese medicinal material as a standard sample; (2) detecting the standard sample by infra-red spectra to obtain an infra-red spectrogram; (3) establishing a standard infra-red model of the traditional Chinese medicinal material by a cluster analysis method with the obtained infra-red spectrogram; and (4) comparing the standard infra-red model with the infra-red spectrogram of the sample of traditional Chinese medicinal material to be identified and directly analyzing and identifying the traditional Chinese medicinal material. The method is simple, convenient, and rapid, and can keep the integrity of the traditional Chinese medicinal material and directly determine the quality of the traditional Chinese medicinal material and identify whether the traditional Chinese medicinal material is authentic or not.

Description

technical field [0001] The invention relates to the technical field of medicinal material detection, in particular, the invention relates to the technical field of medicinal material detection by infrared spectroscopy. Background technique [0002] Chinese herbal medicines have the following characteristics: (1) Complexity: Chinese herbal medicines are extremely complex in composition, with a large number, complex sources, large differences in structure and properties, and it is difficult to clearly understand the interaction relationship; (2) Integrity: Although Chinese herbal medicines are complex in composition, However, the components of high-quality Chinese herbal medicines are compounded and balanced to form a whole, which makes the shapes of different medicinal materials different; (3) Difference: Chinese medicinal materials have different characteristics due to the different natural environment and processing technology of the place of origin. [0003] The complexity...

Claims

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Application Information

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IPC IPC(8): G01N21/35G06F17/00G01N21/3563G01N21/359
Inventor 王俊全刘顺航徐波刘岩
Owner TIANJIN TASLY MORDEN TCM RESOURCES
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