CN-122017109-A - Quantitative analysis method and device for mixture, chromatograph and storage medium

CN122017109ACN 122017109 ACN122017109 ACN 122017109ACN-122017109-A

Abstract

A method, device, chromatograph and storage medium for quantitative analysis of mixture. The method comprises the steps of obtaining standard mapping information corresponding to a mixture to be analyzed and chromatographic test parameter information corresponding to the standard mapping information, carrying out chromatographic test on the mixture to be analyzed by utilizing the chromatographic test parameter information corresponding to the standard mapping information to obtain chromatographic data corresponding to the mixture to be analyzed, and determining concentration values of all components in the mixture to be analyzed based on the standard mapping information and the chromatographic data corresponding to the mixture to be analyzed, wherein the standard mapping information is first mapping information which represents a position between peak areas and concentrations, has a linearity index value larger than a linearity threshold value and is the shortest in required chromatographic test duration, and is obtained by carrying out chromatographic test on a standard test sample with the same components in the mixture to be analyzed. By adopting the scheme, the quantitative analysis time of the mixture can be shortened.

Inventors

LI XIAOBO
Ge Luyao
SHI ZHOU
JIANG JUN

Assignees

中国科学技术大学

Dates

Publication Date: 20260512
Application Date: 20260409

Claims (10)

1. A method for quantitatively analyzing a mixture, comprising: Obtaining standard mapping information corresponding to a mixture to be analyzed and chromatographic test parameter information corresponding to the standard mapping information; performing chromatographic test on the mixture to be analyzed by utilizing chromatographic test parameter information corresponding to the standard mapping information to obtain chromatographic data corresponding to the mixture to be analyzed; determining concentration values of components in the mixture to be analyzed based on standard mapping information and chromatographic data corresponding to the mixture to be analyzed; The standard mapping information is first mapping information which characterizes first mapping information between peak area and concentration, wherein a linearity index value is larger than a linearity threshold value and the required chromatographic test duration is shortest, and the first mapping information is obtained by carrying out chromatographic test on a standard test sample with the same component of the mixture to be analyzed.
2. The method for quantitative analysis of a mixture according to claim 1, wherein determining concentration values of components in the mixture to be analyzed based on standard mapping information and chromatographic data corresponding to the mixture to be analyzed comprises: determining peak areas of components in the mixture to be analyzed; And matching the peak area of each component in the mixture to be analyzed with the standard mapping information corresponding to each component of the test sample, and determining the concentration value of each component in the mixture to be analyzed.
3. The method of quantitative analysis of a mixture according to claim 2, wherein said determining the peak areas of the components in the mixture to be analyzed comprises: When the chromatographic data of the mixture to be analyzed has the peak overlapping, carrying out the mathematical peak-to-peak separation treatment of the overlapping peaks corresponding to the chromatographic peaks of each component in the chromatographic data of the mixture to be analyzed so as to obtain the peak areas of each component in the mixture to be analyzed.
4. A method of quantitatively analyzing a mixture according to claim 3, wherein the mathematical peak-splitting process of the overlapped peaks includes at least one of mathematical fitting, peak-splitting fitting and deconvolution.
5. The method for quantitative analysis of mixtures according to claim 1, wherein the standard mapping information is obtained by: collecting a current group of standard test samples and carrying out quantitative analysis to obtain first mapping information between the area and the concentration of a characterization peak, shortening the chromatographic test duration on the basis of the chromatographic test duration corresponding to the first mapping information obtained at present when the linearity index value of the first mapping information obtained at present is larger than the linearity threshold value, and re-collecting the next group of standard test samples to carry out quantitative analysis until the first mapping information with the shortest chromatographic test duration is obtained and is used as the standard mapping information.
6. The method of quantitative analysis of mixtures according to claim 5, wherein collecting a current set of standard test samples and performing quantitative analysis to obtain first mapping information characterizing peak areas and concentrations, comprises: Collecting chromatographic data of the current group of standard test samples under the condition that chromatographic peaks corresponding to all components of the current group of standard test samples completely appear, and calculating to obtain peak areas corresponding to all the components; and establishing first mapping information between the characterization peak area and the concentration based on the peak area corresponding to each component.
7. The method for quantitative analysis of a mixture according to claim 1, wherein the linearity index is the square of a correlation coefficient, and the linearity threshold has a value in the range of 99% and 100%.
8. A device for quantitative analysis of a mixture, comprising: The acquisition unit is suitable for acquiring standard mapping information corresponding to the mixture to be analyzed and chromatographic test parameter information corresponding to the standard mapping information; The test unit is suitable for carrying out chromatographic test on the mixture to be analyzed by utilizing the chromatographic test parameter information corresponding to the standard mapping information to obtain chromatographic data corresponding to the mixture to be analyzed; The quantitative unit is suitable for determining concentration values of all components in the mixture to be analyzed based on standard mapping information and chromatographic data corresponding to the mixture to be analyzed; The standard mapping information is first mapping information which characterizes first mapping information between peak area and concentration, wherein a linearity index value is larger than a linearity threshold value and the required chromatographic test duration is shortest, and the first mapping information is obtained by carrying out chromatographic test on a standard test sample with the same component of the mixture to be analyzed.
9. A chromatograph comprising the quantitative analysis device for a mixture according to claim 8.
10. A computer readable storage medium having stored thereon a computer program, characterized in that the computer program is executed by a processor to implement the steps of the method of any of claims 1 to 7.

Description

Quantitative analysis method and device for mixture, chromatograph and storage medium Technical Field The invention relates to the technical field of quantitative analysis, in particular to a method and a device for quantitatively analyzing a mixture, a chromatograph and a storage medium. Background In the fields of medicine, food, environment, chemical industry, etc., it is often necessary to quantitatively analyze a mixture to determine the content of each component in the mixture. The quantitative analysis result of the mixture directly determines the quality, safety and usability of the product, so that the accurate quantitative analysis of the target component in the mixture is a core link for realizing product quality control, process optimization and compliance detection. However, the existing quantitative analysis method for the mixture requires too long analysis time, and is difficult to meet the requirement of high-throughput automatic test. Disclosure of Invention The invention aims to solve the problem of shortening the quantitative analysis time of a mixture. To solve the above problems, an embodiment of the present invention provides a method for quantitatively analyzing a mixture, the method comprising: Obtaining standard mapping information corresponding to a mixture to be analyzed and chromatographic test parameter information corresponding to the standard mapping information; performing chromatographic test on the mixture to be analyzed by utilizing chromatographic test parameter information corresponding to the standard mapping information to obtain chromatographic data corresponding to the mixture to be analyzed; determining concentration values of components in the mixture to be analyzed based on standard mapping information and chromatographic data corresponding to the mixture to be analyzed; The standard mapping information is first mapping information which characterizes first mapping information between peak area and concentration, wherein a linearity index value is larger than a linearity threshold value and the required chromatographic test duration is shortest, and the first mapping information is obtained by carrying out chromatographic test on a standard test sample with the same component of the mixture to be analyzed. In one possible embodiment, the determining the concentration value of each component in the mixture to be analyzed based on the standard mapping information and the chromatographic data corresponding to the mixture to be analyzed includes: determining peak areas of components in the mixture to be analyzed; And matching the peak area of each component in the mixture to be analyzed with the standard mapping information corresponding to each component of the test sample, and determining the concentration value of each component in the mixture to be analyzed. In one possible embodiment, the determining the peak areas of the components in the mixture to be analyzed comprises: When the chromatographic data of the mixture to be analyzed has the peak overlapping, carrying out the mathematical peak-to-peak separation treatment of the overlapping peaks corresponding to the chromatographic peaks of each component in the chromatographic data of the mixture to be analyzed so as to obtain the peak areas of each component in the mixture to be analyzed. In one possible embodiment, the overlapping peak mathematical peak splitting process includes at least one of mathematical fitting, peak splitting fitting, and deconvolution processes. In a possible embodiment, the standard mapping information is obtained by the following method: collecting a current group of standard test samples and carrying out quantitative analysis to obtain first mapping information between the area and the concentration of a characterization peak, shortening the chromatographic test duration on the basis of the chromatographic test duration corresponding to the first mapping information obtained at present when the linearity index value of the first mapping information obtained at present is larger than the linearity threshold value, and re-collecting the next group of standard test samples to carry out quantitative analysis until the first mapping information with the shortest chromatographic test duration is obtained and is used as the standard mapping information. In one possible embodiment, collecting a current set of standard test samples and quantitatively analyzing the same to obtain first mapping information characterizing peak area and concentration, comprising: Collecting chromatographic data of the current group of standard test samples under the condition that chromatographic peaks corresponding to all components of the current group of standard test samples completely appear, and calculating to obtain peak areas corresponding to all the components; and establishing first mapping information between the characterization peak area and the concentration based on the peak area corresponding to ea