CN-121994956-A - Multi-component quantitative and chemical pattern recognition based shoe-shaped gold ingot herbal medicine quality evaluation method based on UPLC fingerprint

CN121994956ACN 121994956 ACN121994956 ACN 121994956ACN-121994956-A

Abstract

The invention relates to a multi-component quantitative and chemical pattern recognition shoe-shaped gold ingot herbal medicine quality evaluation method based on UPLC fingerprint, which comprises the steps of preparing a mixed reference substance solution and a sample solution, carrying out full spectrum peak matching on the mixed reference substance solution and the sample solution in batches according to preset chromatographic conditions, and obtaining UHPLC fingerprint and reference fingerprint of samples in batches; and marking a common peak by using the fingerprint, and carrying out chemical pattern recognition to obtain the quality evaluation result of the shoe-shaped gold ingot herbal medicine. The invention establishes a simple and reliable quality evaluation method of the hypericum sampsonii hance by combining the UHPLC fingerprint spectrum with the chemical pattern recognition method, and provides a certain scientific basis and practical reference for quality control and resource development of the hypericum sampsonii hance.

Inventors

LIANG SHUANG
LI JINLIN
TANG YUNKUN
ZHANG HONGWEI
MA YIJIA
LIN CHANG
Long Huafeng
LI DANLEI

Assignees

广西中医药大学

Dates

Publication Date: 20260508
Application Date: 20260206

Claims (10)

1. The method for evaluating the quality of the shoe-shaped gold ingot herbal medicine based on the multi-component quantification and the chemical pattern recognition of the UPLC fingerprint is characterized by comprising the following steps of: Preparing a mixed reference substance solution and a sample solution, and carrying out full spectrum peak matching on the mixed reference substance solution and the sample solution in batches according to preset chromatographic conditions to obtain UHPLC fingerprints and reference fingerprints of the samples in batches; and marking a common peak by using the fingerprint, and carrying out chemical pattern recognition to obtain the quality evaluation result of the shoe-shaped gold ingot herbal medicine.
2. The method for evaluating the quality of a shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of a UPLC fingerprint according to claim 1, wherein the preparing the mixed reference solution comprises the following steps: obtaining a reference substance with target content, wherein the reference substance comprises caffeic acid, rutin, hyperoside, quercetin, kaempferide and emodin; A mixed reference solution containing caffeic acid of a first target amount, rutin of a second target amount, hyperoside of a third target amount, quercetin of a fourth target amount, kaempferide of a fifth target amount and emodin of a sixth target amount is prepared by methanol, and filtered by a microporous filter membrane.
3. The method for evaluating quality of a shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of a UPLC fingerprint according to claim 1, wherein preparing the sample solution comprises: and (3) obtaining the sampelos sample powder of different producing areas, respectively adding methanol, further sealing and weighing, performing ultrasonic extraction and cooling, supplementing the lost weight by using the methanol, and sequentially filtering by filter paper and a microporous filter membrane to prepare the sample solution.
4. The method for evaluating quality of a shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of a UPLC fingerprint according to claim 1, wherein the preset chromatographic conditions comprise: Setting Agilent ZORBAX RR StableBond C chromatographic column, using acetonitrile-0.5% acetic acid solution as mobile phase, and setting target gradient elution, target detection wavelength, target column temperature, target sample injection amount and target flow rate; Setting the target gradient elution comprises setting acetonitrile with different contents and 0.5% acetic acid solution under different elution times so as to realize the target gradient elution.
5. The method for evaluating the quality of the ingot herbal medicine based on the multi-component quantification of UPLC fingerprint and the chemical pattern recognition according to claim 1, wherein the chemical pattern recognition comprises similarity evaluation, cluster analysis, principal component analysis, orthorhombic partial least square method-discriminant analysis and Pearson correlation analysis.
6. The method for evaluating quality of a shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of a UPLC fingerprint according to claim 5, wherein the similarity evaluation comprises: and calculating the similarity of fingerprints of the samples of multiple batches, wherein the similarity is used for representing the difference of the similarity of fingerprints of different production places, but the whole is stable, and the consistency of chemical components in the samples of all batches is ensured.
7. The method for evaluating quality of a shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of a UPLC fingerprint according to claim 5, wherein the clustering analysis comprises: The method comprises the steps of taking the peak area of a common peak of a plurality of batches of samples as a variable, adopting an inter-group connection method and taking a square Euclidean distance as a classification basis, namely dividing the plurality of batches of samples into two types when the Euclidean distance is larger than a first preset threshold value, obtaining a clustering result, and representing that different producing areas and batches of medicinal materials have quality differences, and showing no obvious regional aggregation characteristics, so that the stability of the whole quality of the Hypericum sampsonii is reflected.
8. The method for evaluating quality of a shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of a UPLC fingerprint according to claim 5, wherein the clustering analysis comprises: PCA processing is carried out by taking the peak area of a common peak of a plurality of batches of samples as a variable, a characteristic value is obtained, the characteristic value is larger than a second preset threshold value, a main target component is extracted, and a corresponding variance contribution rate and an accumulated variance contribution rate are calculated; and calculating a comprehensive score by using the variance contribution rate corresponding to each main target component as a weight coefficient, and sequencing the comprehensive scores for representing sample processing and storage differences.
9. The method for evaluating quality of a shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of a UPLC fingerprint according to claim 5, wherein the orthorhombic partial least squares-discriminant analysis comprises: Taking the peak area of the common peaks of a plurality of batches of samples as a dependent variable, taking the sample number as an independent variable, carrying out OPLS-DA processing on batches which are gathered into one class in the principal component analysis, determining the contribution degree of each common peak by adopting variable importance projection, screening out a plurality of quality difference markers, and sequencing the quality difference markers to determine the component content of each quality difference marker for evaluating the quality of the medicine.
10. The method for evaluating quality of a shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of a UPLC fingerprint according to claim 5, wherein the pearson correlation analysis comprises: And carrying out pearson correlation analysis based on the total content of a plurality of target components of the samples in a plurality of batches and the PCA comprehensive score, and obtaining a correlation coefficient result, wherein the target components which are obviously positively correlated with the total content are used as evaluation indexes of the quality of the shoe-shaped gold ingot, and the overall quality is represented.

Description

Multi-component quantitative and chemical pattern recognition based shoe-shaped gold ingot herbal medicine quality evaluation method based on UPLC fingerprint Technical Field The invention relates to the technical field of medicinal material quality evaluation, in particular to a multi-component quantitative and chemical pattern recognition shoe-shaped gold ingot herbal medicine quality evaluation method based on UPLC fingerprint. Background The primordial herb (Hypericum sampsonii Hance), also called herba Hyperici Japonici, herba Paecionis Scandentis, herba Whistle Fangkochiae, etc. are plants of Hypericum genus of Guttiferae, have bitter taste and cold nature, have effects of regulating menstruation, dredging collaterals, stopping bleeding, and removing toxic substance, and can be used for treating epistaxis, blood flow, dysentery, enteritis, infantile hyperpyrexia, menoxenia, traumatic injury, traumatic hemorrhage, burn and scald, and venomous snake bite. Studies show that the main chemical components of the Hypericum sampsonii Hance comprise a polyisoprenyl phloroglucinol derivative, a flavonoid compound, a naphthodianthrone, a benzophenone derivative, volatile terpenes, anthraquinone components and the like. Modern pharmacological researches have found that the Hypericum sampsonii Hance has the functions of resisting virus, resisting inflammation, resisting tumor, resisting depression and the like. The combination of the multi-component and multi-target characteristics of the traditional Chinese medicine for carrying out the quality evaluation research of the traditional Chinese medicine has important significance for the quality control and scientific medication of the traditional Chinese medicine. The standards and literature reports in all places only record the characteristics identification, microscopic identification, thin layer identification and quality control indexes of the hypericum sampsonii hance, and only a few components are recorded, so that the literature about qualitative and quantitative analysis of various components of the hypericum sampsonii hance and UHPLC fingerprint research is fresh. The Hypericum sampsonii Hance is used as a traditional medicinal plant in China, has a long application history in China and is widely used as medicinal materials and food materials in folks. However, the quality standard is not perfect due to the wild environment, the existing research is limited to a single production area or limited samples in the harvesting period, and the quality evaluation index is limited and can not reflect the overall quality characteristics of the sampsonii. Disclosure of Invention In order to solve the problems in the prior art, the invention aims to provide a method for evaluating quality of shoe-shaped gold ingot herbal medicine based on multi-component quantification of UPLC fingerprint and chemical pattern recognition, which is characterized in that shoe-shaped gold ingot herbal medicine samples of different batches of a plurality of main production places in China are collected, HPLC characteristic fingerprint of the shoe-shaped gold ingot herbal medicine is established based on separation characteristics of ultra-high performance liquid chromatography (UHPLC), 6 target component contents are measured, cluster Analysis (CA) is adopted to realize sample cluster division in combination with the chemical pattern recognition method, correlation rules among key components are screened and analyzed in combination with Principal Component Analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA), and finally a three-in-one evaluation system of multi-component quantification-fingerprint pattern recognition is established, so as to lay a foundation for shoe-shaped gold ingot herbal medicine standardization quality control and subsequent spectral efficiency association research. In order to achieve the above object, the present invention provides the following solutions: a method for evaluating quality of shoe-shaped gold ingot herbal medicine based on multi-component quantification and chemical pattern recognition of UPLC fingerprint comprises the following steps: Preparing a mixed reference substance solution and a sample solution, and carrying out full spectrum peak matching on the mixed reference substance solution and the sample solution in batches according to preset chromatographic conditions to obtain UHPLC fingerprints and reference fingerprints of the samples in batches; and marking a common peak by using the fingerprint, and carrying out chemical pattern recognition to obtain the quality evaluation result of the shoe-shaped gold ingot herbal medicine. Optionally, configuring the mixed control solution includes: obtaining a reference substance with target content, wherein the reference substance comprises caffeic acid, rutin, hyperoside, quercetin, kaempferide and emodin; A mixed reference solution containing caffeic acid of a first targe