基于指纹图谱通便灵胶囊的化学计量学分析

Chemometric Analysis of Tongbianling Capsules Based on Fingerprint

关键词:  通便灵胶囊  高效液相色谱法  指纹图谱  化学计量学  主成分分析  偏最小二乘判别分析

Key words:  Tongbianling capsules  HPLC  fingerprint  chemometric analysis  principle components analysis(PCA)  partial least squares discrimination analysis(PLS-DA)

摘要:

目的 通过HPLC建立通便灵胶囊指纹图谱，并借助化学计量学分析，对其进行系统、科学的质量评价。方法 采用JADE-PAK ODS柱（250 mm×4.6 mm，5 μm），以流动相为甲醇（A）-0.1%甲酸溶液（B），进行梯度洗脱，流速1.0 mL·min^–1，柱温30℃，检测波长340 nm，建立通便灵胶囊的指纹图谱，通过ChemPattern软件确立共有峰，利用UPLC-Q/TOF-MS对共有峰进行成分确认，并进行化学计量学分析。结果 通过建立的通便灵胶囊指纹图谱确定14个共有峰，主成分分析得分图显示4个厂家的样品能够明显区分开，偏最小二乘判别分析载荷图显示化学成分松果菊苷、山柰酚-3-O-β-D-槐糖苷和异鼠李素-3-O-龙胆二糖苷对4个厂家样品的区分有较大贡献。结论 不同厂家样品存在较大差异，有可能会造成药效的不一致，此方法可为通便灵胶囊的质量控制提供参考依据。

Abstract:

OBJECTIVE To establish the fingerprint of Tongbianling capsule by HPLC, and the quality were evaluated systematically and scientifically by chemometric analysis. METHODS The HPLC analysis was performed on a column of JADE-PAK ODS(250 mm×4.6 mm, 5 μm) with gradient elution of methanol(A)-0.1% formic acid solution(B) at a flow rate of 1.0 mL·min^-1. The detection wavelength was set at 340 nm, and the column temperature was 30℃. Fingerprint of Tongbianling capsule was established, and the common peaks were established by ChemPattern software. UPLC-Q/TOF-MS was used to confirm the components of the common peaks, and chemometric analysis was performed. RESULTS Fingerprint of Tongbianling capsules was established and 14 common peaks were designated. Principle components analysis showed significant separation among four manufacturers. Partial least squares discrimination analysis scores indicated that the separation was attributed to echinacoside, kaempferol-3-O-β-D-gentiobioside, isorhamnetin-3-O-gentiobioside played a pivotal role in the separation of manufacturers. CONCLUSION The samples from different manufacturers are quite different, it may cause inconsistency in efficacy, the method can provide reference for the quality control of Tongbianling capsules.