School of Chemistry and Molecular Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, China.
School of Chemistry and Molecular Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, China.
J Pharm Biomed Anal. 2019 Jun 5;170:295-304. doi: 10.1016/j.jpba.2019.01.010. Epub 2019 Jan 9.
Near infrared spectroscopy (NIR) was applied to discriminate the roots of salvia miltiorhiza Bunge (Danshen for short) and Salvia yunnanensis C. H. Wright (Zidanshen for short) by means of principal component analysis (PCA), improved and simplified K nearest neighbors (IS-KNN). Furthermore, an ultra-high performance liquid chromatographic (UHPLC) coupled with photodiode-array detector was developed for building fingerprints of lipophilic components of Danshen and Zidanshen, respectively. Basing on NIR information, both PCA and IS-KNN method classified the two kinds of Chinese medical herbs with 100% accuracy. The chromatographic fingerprints of the lipophilic components of Danshen and Zidanshen have 10 and 12 common peaks, respectively. Liquid chromatography coupled with mass spectroscopy (LC-MS-MS) was applied to identify these peaks. Among these, three small peaks in the fingerprints of Zidanshen are not found in Danshen, one of which was identified as α-lapachone, and the other two compounds were not yet identified; a small peak after tanshinone IIA in the fingerprints of Danshen was not found in Zidanshen, which was identified as miltirone. The two herbs have 10 common lipophilic components. The similarity between the two reference chromatograms of Zidanshen and Danshen is 0.902, but the mean similaritie between Zidanshen (or Danshen) fingerprints and its own reference chromatogram is 0.973 (or 0.976). The contents of main lipophilic components are significantly lower in Zidanshen than in Danshen (P < 0.01 or P < 0.05). The results indicate that the two Chinese medical materials are not only different in NIR spectra, but also different in species and quantities of lipophilic components. NIR spectra analysis can identify Danshen and Zidanshen rapidly and accurately. UHPLC coupled with MS analysis demonstrates the detail differences between the two herbs both in species and contents of their lipophilic components.
近红外光谱（NIR）通过主成分分析（PCA）和改进简化 K 最近邻（IS-KNN）来区分丹参（丹参）和云南丹参（紫丹参）的根。此外，建立了超高效液相色谱（UHPLC）与光电二极管阵列检测器分别对丹参和紫丹参脂溶性成分的指纹图谱。基于 NIR 信息，PCA 和 IS-KNN 方法均以 100%的准确率对这两种中草药进行分类。丹参和紫丹参脂溶性成分的色谱指纹图谱分别有 10 个和 12 个共有峰。液相色谱-质谱联用（LC-MS-MS）用于鉴定这些峰。其中，紫丹参指纹图谱中三个小峰在丹参中未发现，其中一个被鉴定为α-拉帕酮，另外两个化合物尚未鉴定；丹参指纹图谱中丹参酮 IIA 后的一个小峰在紫丹参中未发现，被鉴定为米特里酮。两种草药有 10 种共同的脂溶性成分。紫丹参和丹参的两个参考图谱之间的相似度为 0.902，但紫丹参（或丹参）指纹图谱与自身参考图谱的平均相似度为 0.973（或 0.976）。紫丹参中主要脂溶性成分的含量明显低于丹参（P<0.01 或 P<0.05）。结果表明，这两种中药材不仅在近红外光谱上存在差异，而且在脂溶性成分的种类和含量上也存在差异。NIR 光谱分析可快速准确地识别丹参和紫丹参。UHPLC 结合 MS 分析表明，这两种草药在脂溶性成分的种类和含量上存在差异。
