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CN-122017107-A - Method for detecting volatile components of liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry

CN122017107ACN 122017107 ACN122017107 ACN 122017107ACN-122017107-A

Abstract

The invention relates to the technical field of chromatographic analysis, in particular to a method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry. The method comprises the steps of collecting chromatographic data curves of liver protection traditional Chinese medicine preparations with different concentrations, dividing the chromatographic data curves into a plurality of target spectral peaks based on data distribution conditions of the chromatographic data curves corresponding to the concentrations, obtaining distortion degrees of the target spectral peaks according to shape features of adjacent target spectral peaks and coordinates of intersection points, determining offset degree values of the chromatographic data curves corresponding to the concentrations according to the distortion degrees and the data values of the target spectral peaks in the chromatographic data curves corresponding to the concentrations, synthesizing the offset degree values of the chromatographic data curves corresponding to the concentrations to obtain error degree values of chromatographic data, correcting the chromatographic data curves corresponding to the concentrations, and detecting volatile components of the liver protection traditional Chinese medicine preparations according to correction results. The invention improves the accuracy of the detection result of the volatile components of the liver-protecting traditional Chinese medicine preparation.

Inventors

  • YANG XIN
  • FENG JIANCHUN

Assignees

  • 中日友好医院(中日友好临床医学研究所)
  • 北京建春传统医学研究中心

Dates

Publication Date
20260512
Application Date
20260409

Claims (10)

  1. 1. The method for detecting the volatile components of the liver-protecting traditional Chinese medicine preparation by using the combination of phase chromatography and mass spectrometry is characterized by comprising the following steps of: Collecting chromatographic data curves of liver-protecting traditional Chinese medicine preparations with different concentrations; Dividing the chromatographic data curve into a plurality of target spectral peaks based on the data distribution condition of the chromatographic data curve corresponding to each concentration; Determining the offset degree value of the chromatographic data curve corresponding to each concentration according to the distortion degree and the data value of the target spectral peak in the chromatographic data curve corresponding to each concentration; And correcting the chromatographic data curve corresponding to each concentration by using the error degree value, and detecting the volatile components of the liver-protecting traditional Chinese medicine preparation according to the correction result.
  2. 2. The method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry according to claim 1, wherein the dividing the chromatographic data curve into a plurality of target spectral peaks based on the data distribution condition of the chromatographic data curve corresponding to each concentration comprises the following steps: For either concentration: obtaining a maximum value and a minimum value on the chromatographic data curve corresponding to any concentration; On the chromatographic data curve, a curve segment between two adjacent minima is used as a target spectrum peak.
  3. 3. The method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry according to claim 1, wherein the step of obtaining the distortion degree of the target spectrum peak according to the shape characteristics of the adjacent target spectrum peaks and the coordinates of the intersection points comprises the following steps: For either concentration: Evaluating the interference degree of each target spectral peak according to the difference between the ordinate corresponding to the maximum point of each target spectral peak and the next adjacent target spectral peak on the chromatographic data curve corresponding to any concentration and the difference between the abscissa; Obtaining the distortion degree of each target spectrum peak according to the difference of the interference degree of the two adjacent target spectrum peaks, the difference of the state values of the two adjacent target spectrum peaks and the ordinate of the intersection point of the two adjacent target spectrum peaks; the state value is determined based on the data values of the peak width of the target spectral peak and the maximum point of the target spectral peak.
  4. 4. The method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using a phase chromatography-mass spectrometry according to claim 3, wherein the evaluating the interference degree of each target spectral peak according to the difference between the ordinate corresponding to the maximum point of each target spectral peak and the next adjacent target spectral peak on the chromatographic data curve corresponding to any concentration and the difference between the abscissa comprises: Respectively calculating a first normalized value of the difference between the ordinate corresponding to the maximum value point of each target spectrum peak and the next adjacent target spectrum peak and a second normalized value of the difference between the abscissa corresponding to the maximum value point of each target spectrum peak and the next adjacent target spectrum peak; And taking the product of the first normalized value and the second normalized value as the interference degree of each target spectrum peak.
  5. 5. The method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry according to claim 3, wherein the obtaining the distortion degree of each target spectrum peak according to the difference of the interference degree of two adjacent target spectrum peaks, the difference of the state values of two adjacent target spectrum peaks and the ordinate of the intersection point of two adjacent target spectrum peaks comprises the following steps: the ratio between the interference degree of each target spectrum peak and the next adjacent target spectrum peak is recorded as a first ratio; the ratio between the state value of each target spectrum peak and the next adjacent target spectrum peak is recorded as a second ratio; and obtaining the distortion degree of each target spectrum peak based on the first ratio, the second ratio and the ordinate of the intersection point of each target spectrum peak and the next adjacent target spectrum peak, wherein the first ratio, the second ratio and the ordinate of the intersection point are in positive correlation with the distortion degree.
  6. 6. The method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry according to claim 1, wherein determining the offset degree value of the chromatographic data curve corresponding to each concentration according to the distortion degree and the data value of the target spectral peak in the chromatographic data curve corresponding to each concentration comprises: For either concentration: And obtaining an offset degree value of the chromatographic data curve corresponding to any concentration according to the distortion degree of the target spectral peak and the data value of the maximum value point of the target spectral peak in the chromatographic data curve corresponding to any concentration, wherein the distortion degree and the data value of the maximum value point are in positive correlation with the offset degree value.
  7. 7. The method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry according to claim 1, wherein the step of synthesizing the offset degree values of the chromatographic data curves corresponding to all concentrations to obtain the error degree values of the chromatographic data comprises the following steps: And obtaining an error degree value of the chromatographic data according to the offset degree values and the corresponding concentrations of the chromatographic data curves corresponding to all the concentrations, wherein the offset degree value and the concentration are in positive correlation with the error degree value.
  8. 8. The method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry according to claim 7, wherein the obtaining the error degree value of the chromatographic data according to the offset degree values of the chromatographic data curves corresponding to all the concentrations and the corresponding concentrations comprises the following steps: Respectively marking the product of the normalized value of the offset degree value of the chromatographic data curve corresponding to each concentration and the normalized value of the corresponding concentration as a first product corresponding to each concentration; And taking the normalization result of the average value of the first products corresponding to all the concentrations as an error degree value of chromatographic data.
  9. 9. The method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry according to claim 1, wherein the correcting the chromatographic data curve corresponding to each concentration by using the error degree value comprises the following steps: calculating a first difference between the constant 1 and the normalized error degree value; And taking the product of the first difference value and the data value on the chromatographic data curve corresponding to each concentration as a correction result of the chromatographic data curve.
  10. 10. The method for detecting volatile components of a liver-protecting Chinese medicinal preparation by using phase chromatography-mass spectrometry according to claim 1, wherein the method for detecting the volatile components of the liver-protecting Chinese medicinal preparation according to the correction result comprises the following steps of: And comparing the matching degree of the corrected chromatographic data curve with that of the standard chromatographic database, and selecting a compound with the matching degree larger than the preset matching degree as a candidate identification result.

Description

Method for detecting volatile components of liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry Technical Field The invention relates to the technical field of chromatographic analysis, in particular to a method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry. Background The liver-protecting traditional Chinese medicine preparation has long history and remarkable clinical curative effect in preventing and treating liver injury and regulating liver function, and research on the drug effect substance basis is a key link of modernization of traditional Chinese medicines. Volatile components (such as terpenes, aromatic compounds and the like) are important active components of liver-protecting traditional Chinese medicines, and often have anti-inflammatory, antioxidant and metabolism-promoting biological activities, but have complex chemical composition, low content and easy volatilization, and the traditional analysis method is difficult to realize comprehensive identification and accurate quantification. Gas chromatography-mass spectrometry (GC-MS) combines the high-efficiency separation capacity of gas chromatography with the high sensitivity and high selectivity of mass spectrometry, and has become the standard for volatile component analysis. When the volatile components of the liver-protecting traditional Chinese medicine preparation are detected by a gas chromatography-mass spectrometry technology, because the volatile components of the traditional Chinese medicine are complex (such as terpenes, aldehyde ketones, aromatic compounds and the like), partial compounds are similar in structure (such as isomers) and are difficult to completely separate under the conventional chromatographic condition, the co-outflow peak affects the qualitative and quantitative accuracy, and the low-content components (such as trace active substances) are easily covered by high-abundance component signals due to low ionization efficiency, so that the accuracy of the detection result of the volatile components of the liver-protecting traditional Chinese medicine preparation is lower. Disclosure of Invention In order to solve the problem of lower accuracy of detection results when the traditional method is used for detecting volatile components of the liver-protecting traditional Chinese medicine preparation, the invention aims to provide a method for detecting the volatile components of the liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry, which adopts the following specific technical scheme: The invention provides a method for detecting volatile components of a liver-protecting traditional Chinese medicine preparation by using phase chromatography-mass spectrometry, which comprises the following steps: Collecting chromatographic data curves of liver-protecting traditional Chinese medicine preparations with different concentrations; Dividing the chromatographic data curve into a plurality of target spectral peaks based on the data distribution condition of the chromatographic data curve corresponding to each concentration; Determining the offset degree value of the chromatographic data curve corresponding to each concentration according to the distortion degree and the data value of the target spectral peak in the chromatographic data curve corresponding to each concentration; And correcting the chromatographic data curve corresponding to each concentration by using the error degree value, and detecting the volatile components of the liver-protecting traditional Chinese medicine preparation according to the correction result. Preferably, the dividing the chromatographic data curve into a plurality of target spectral peaks based on the data distribution condition of the chromatographic data curve corresponding to each concentration includes: For either concentration: obtaining a maximum value and a minimum value on the chromatographic data curve corresponding to any concentration; On the chromatographic data curve, a curve segment between two adjacent minima is used as a target spectrum peak. Preferably, the obtaining the distortion degree of the target spectrum peak according to the shape feature of the adjacent target spectrum peak and the coordinates of the intersection point includes: For either concentration: Evaluating the interference degree of each target spectral peak according to the difference between the ordinate corresponding to the maximum point of each target spectral peak and the next adjacent target spectral peak on the chromatographic data curve corresponding to any concentration and the difference between the abscissa; Obtaining the distortion degree of each target spectrum peak according to the difference of the interference degree of the two adjacent target spectrum peaks, the difference of the state val