首页|期刊导航|分析测试学报|二值三谱法评价复方甘草片质量一致性并与AI合成3D谱评价对比研究

二值三谱法评价复方甘草片质量一致性并与AI合成3D谱评价对比研究OA

Evaluation of Quality Consistency in Compound Liquorice Tablets Using Binary Triple Fingerprint Method and Comparison with AI-synthesized 3D Fingerprint

中文摘要英文摘要

基于75批复方甘草片的高效液相色谱-二极管阵列检测器(HPLC-DAD)色谱数据,该研究提出并验证了一种3D指纹图谱构建方法:将200~348 nm范围内的38个波长通过AI全谱积分融合,同时结合二值三谱法计算宏定性相似度(Sm)与宏定量相似度(Pm),以开展质量一致性评价.同时用标准曲线法和比率指纹法对9个药效物质进行了定量测定与差异比较.结果显示,与单波长220 nm指纹图谱相比,3D指纹图谱在保持宏观定性一致性的同时显著提高了Pm的区分能力,主成分分析(PCA)与雷达图表明,其对批次与厂家的判别更敏感.同时,比率指纹法与标准曲线法在9个目标成分定量上高度一致(r>0.99),验证了定量策略的可靠性.3D指纹图谱融合38个波长检测信息,能较为全面和灵敏地表征复方甘草片的化学组成与质量差异,显著增强批次与厂家的判别能力.该方法与二值三谱法结合,为中药质量一致性评价与标准化控制提供了基于大数据的植物药质量一致性监控方法,为基于人工智能与大规模色谱数据的质量监测研究提供了实证支撑和可推广的技术路径.

Based on high performance liquid chromatography-diode array detector(HPLC-DAD)chromatographic data from 75 batches of compound liquorice tablets,this study proposed and validat-ed a 3D fingerprint constructed by AI-integrated fusion across 38 wavelengths in the 200-348 nm range.Combined with a binary triple fingerprint method to calculate Sm and Pm,this approach en-abled quality consistency evaluation.Simultaneously,nine pharmacologically active substances were quantitatively determined using standard curve method and ratio fingerprint method,with compara-tive analysis conducted.Results demonstrated that compared to the single-wavelength fingerprint at 220 nm,the 3D fingerprint maintained macro-qualitative consistency while significantly enhancing the discrimination power for Pm.Principal component analysis(PCA)and radar charts indicated its superior sensitivity in distinguishing batches and manufacturers.Furthermore,the ratio fingerprint method and standard curve method showed high consistency(r>0.99)in quantifying the nine target components,validating the reliability of the quantitative strategy.The 3D fingerprint integrates de-tection information from 38 wavelengths,enabling a comprehensive and sensitive characterization of the chemical composition and quality variations in compound liquorice tablets.This significantly en-hances the ability to distinguish between batches and manufacturers.Combined with the binary triple fingerprint method,this approach provides a big data-driven consistency monitoring method for herb-al medicine quality in traditional Chinese medicine consistency evaluation and standardized control.It offers empirical support and a scalable technical pathway for quality monitoring research based on artificial intelligence and large-scale chromatographic data.

蔡鸣;张江镭;闫慧;兰丽丽;孙万阳;孙国祥

沈阳药科大学 药学院,辽宁 沈阳 110016沈阳药科大学 药学院,辽宁 沈阳 110016沈阳药科大学 药学院,辽宁 沈阳 110016沈阳药科大学 药学院,辽宁 沈阳 110016沈阳药科大学 药学院,辽宁 沈阳 110016||暨南大学 药学院,广东 广州 510632沈阳药科大学 药学院,辽宁 沈阳 110016

化学化工

复方甘草片二值三谱法3D指纹图谱质量一致性评价多组分含量测定高效液相色谱

compound liquorice tabletsbinary triple fingerprint method3D fingerprintquality consistency evaluationmulticomponent content determinationHPLC

《分析测试学报》 2026 (6)

1221-1233,13

国家自然科学基金(81573586,82274403,81703696)

10.12452/j.fxcsxb.26012401

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