HPLC/qTOF-MS-oriented characteristic components data set and chemometric analysis for the holistic quality control of complex TCM preparations: Niuhuang Shangqing pill as an example
HPLC/qTOF-MS-oriented characteristic components data set and chemometric analysis for the holistic quality control of complex TCM preparations: Niuhuang Shangqing pill as an example
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DOI：
10.1016/j.jpba.2013.10.042
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发表时间：
2014-02-15
影响因子：
3.4
通讯作者：
Guo, De-An
中科院分区：
文献类型：
--
作者：
Wang, Dan-dan;Liang, Jian;Guo, De-An
大复方（DFF）是指由10多种中药组成的中药制剂，由于其极端的化学复杂性，其质量控制具有挑战性。本研究提出了一种基于HPLC/ qtof - ms的特征成分数据集（CCDS）和化学计量分析的dff整体质量控制策略。以牛黄上清丸（NHSQP）为例，该丸由19种中药组成。采用HPLC/qTOF-MS对NHSQP进行指纹图谱分析，鉴定出190个化合物，其中47个化合物通过参比标准对照得到明确鉴别。通过对药材、实验室配制的NHSQP粉末和阴性对照制剂的质谱分异分析，构建了含有60个特征组分的CCDS。通过建立CCDS，可以同时监测NHSQP中涉及的19种药物中的16种。随后，对来自不同供应商的26份NHSQP样品进行了定性和半定量分析，并对其LC/MS指纹数据进行了分析。在所有NHSQP样品中检测到60种特征成分，证明了它们的真实性。然而，与标准样品3号相比，NHSQP样品中有15个质量较差。根据PCA评分图，21号和13号样品差异显著，导致分化的成分证实来自不同的中药。该策略是一种有效且易于实施的方法，为建立复杂中药制剂的整体质量控制提供了一种潜在的途径。(C) 2013 Elsevier B.V.版权所有
The quality control of Da-Fu-Fang (DFF), referring to the traditional Chinese medicine (TCM) preparations comprising more than 10 TCMs, is challenging due to their extreme chemical complexity. In this study, a strategy is proposed for the holistic quality control of DFFs based on HPLC/qTOF-MS-oriented characteristic components data set (CCDS) and chemometric analysis. Niuhuang Shangqing pill (NHSQP), composed of 19 TCMs, is used to illustrate this strategy. The fingerprint profiling of NHSQP by HPLC/qTOF-MS resulted in the characterization of 190 compounds, comprising 47 unambiguously identified by reference standard comparison. A CCDS containing 60 characteristic components was constructed by analyzing the MS spectral differentiation of the crude drugs, a laboratory-made NHSQP powder, and negative control preparations. With the established CCDS, it was possible to simultaneously monitor 16 out of the 19 drugs involved in NHSQP. Subsequently, 26 NHSQP samples from different vendors were evaluated by the qualitative and semi-quantitative analyses of their LC/MS fingerprint data. The 60 characteristic components were detected in all of the NHSQP samples, which demonstrated their authenticity. When compared with the standard sample No. 3, however, 15 of the NHSQP samples exhibited inferior quality. Samples No. 21 and No. 13 differed significantly based on a PCA score plot, and the components responsible for the differentiation were confirmed to originate from different TCMs. This strategy is a powerful and easy method to implement and provides a potential approach to establishing the holistic quality control of complex TCM preparations. (C) 2013 Elsevier B.V. All rights reserved.