基于UPLC指纹图谱结合化学计量学方法对旋覆花与水朝阳旋覆花的鉴别标志物筛选

Screeening of identification markers between Inula japonica and Inula helianthus-aquatica using UPLC fingerprints combined with chemometrics

关键词:  指纹图谱  旋覆花  水朝阳旋覆花  化学计量法  质量评价

Key words:  fingerprint  Inula japonica  Inula helianthus-aquatica  chemometrics  quality evaluation

摘要:

[目的] 基于UPLC指纹图谱结合化学计量学方法对市场中的27批旋覆花样品和18批水朝阳旋覆花样品根据鉴别标志物进行筛选区分。[方法] 色谱柱为ACQUITY UPLC BEH C₁₈（2.1 mm×50 mm，1.7 μm），以0.1%甲酸水溶液（A）和乙腈（B）为流动相，梯度洗脱，流速为0.3 mL/min，柱温为40℃，进样体积为2 μL，检测波长为254 nm。采用相似度分析和多元统计分析相结合的方法筛选可鉴别两种旋覆花的潜在标志物，还利用标志物对45批样品建立了Fisher判别模型。[结果] 在45批样品中标定了30个共有峰，指认出9个化学成分，各批次药材的相似度评价结果均大于0.9。主成分分析（PCA）与正交偏最小二乘判别分析（OPLS-DA）结果一致。建立OPLS-DA模型筛选出了6个化合物作为鉴别两种旋覆花的潜在标志物。[结论] 该研究建立的指纹图谱结合化学计量学鉴别方法准确可靠，能够从化学成分角度区分两类旋覆花，可为旋覆花的质量评价提供参考。

Abstract:

[Objective] To screen and differentiate 27 batches of Inula japonica samples and 18 batches of Inula helianthus-aquatica samples from the market based on identification markers using UPLC fingerprints combined with chemometric methods.[Methods] Chromatographic separation was performed on an ACQUITY UPLC BEH C₁₈ column(2.1 mm×50 mm,1.7 μm) with a mobile phase consisting of 0.1% formic acid aqueous solution(A) and acetonitrile(B) in gradient elution mode. The flow rate was set at 0.3 mL/min,the column temperature at 40℃,the injection volume at 2 μL,and the detection wavelength at 254 nm. A combination of similarity analysis and multivariate statistical analysis was employed to identify potential discriminant markers for Inula japonica and Inula helianthus-aquatica. A Fisher discriminant model was constructed using the identified markers to classify 45 batches of samples.[Results] A total of 30 common peaks were identified across the 45 batches,and 9 chemical components were assigned. The similarity evaluation of all batches yielded values greater than 0.9 Principal component analysis(PCA) and orthogonal partial least squares discriminant analysis(OPLS-DA) produced consistent results. Six compounds were identified as potential discriminant markers for distinguishing Inula japonica and Inula helianthus-aquatica through the OPLS-DA model.[Conclusion] The fingerprinting method combined with chemometric analysis is accurate and reliable,enabling the differentiation of Inula japonica and Inula helianthus-aquatica based on chemical composition. This approach provides a valuable reference for the quality evaluation of Inula japonica.