Intelligent quality evaluation of Salvia miltiorrhiza-Monascus fermentation products based on UPLC-Q-Orbitrap-MS fingerprinting and integrated chemometrics strategy
10.19778/j.chp.2025.03.009
- VernacularTitle:基于UPLC-Q-Orbitrap-MS指纹图谱与集成化学计量学策略的丹参-红曲发酵产物智能质量评价研究
- Author:
Lu LIU
1
;
Ling LYU
1
;
Yifan WANG
1
;
Xuexin HU
1
;
Longfei YANG
1
;
Bo-nian ZHAO
1
Author Information
1. 山东中医药大学药物研究院,国家中医药管理局高水平重点学科-中药药剂学,山东省数字中药重点实验室,黄河流域特色中药生态保护和高质量发展协同创新中心,济南 250355
- Publication Type:Journal Article
- Keywords:
Salvia miltiorrhiza-Monascus fermentation products;
chemometrics;
quality markers;
UPLC-Q-Orbi-trap-MS;
geographical discrimination;
quality evaluation
- From:
Drug Standards of China
2025;26(3):294-303
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To establish a digital quality evaluation system for Salvia miltiorrhiza-Monascus fermentation products,screen critical quality markers,and provide methodological support for their intelligent quality control.Methods:Ultra-performance liquid chromatography coupled with quadrupole-orbitrap mass spectrometry(UPLC-Q-Orbitrap-MS)was employed to quantitatively analyze 34 bioactive components(e.g.,tanshinone Ⅱ A and alvianol-ic acid B)in 20 batches of fermentation products.The key markers were screened through hierarchical cluster anal-ysis and partial least squares discriminant analysis,and an intelligent discriminant model was constructed with sup-port vector machine machine learning algorithm to digitally analyze the characteristics of quality differences between batches.Results:Thirty-four common peaks were calibrated across all batches.Combined with partial least squares analysis,six key difference markers were further screened,including terpenoids such as isotanshinone Ⅱ A and tan-shinone Ⅱ A and phenolic acids such as salvianolic acid G.The support vector machine model can achieve 100％accuracy of origin discrimination by optimizing parameters jointly with genetic algorithm and grid search.Conclusion:This study developed a digital quality evaluation system for Salvia miltiorrhiza-Monascus fermentation products through a three-step analytical strategy("chemical feature exploration-marker screening-model valida-tion"),providing a transferable technical pathway for the intelligent transformation of traditional Chinese medicine quality control.
