School of Pharmacy, North Sichuan Medical College, Nanchong 637100, China.
College of Pharmacy, Chengdu University of Traditional Chinese Medicine, Chengdu 611137, China.
Molecules. 2022 Aug 21;27(16):5325. doi: 10.3390/molecules27165325.
et Radix (LReR) is the dried rhizomes and roots of Oliv. (LS) or Nakai et Kitag. (LJ). However, in the market, LS and LJ are frequently confused with each other. Since the volatile oils are both the main active components and quality control indicators of LReR, a strategy combining gas chromatography-mass spectrometry (GC-MS) and chemical pattern recognition (CPR) was used to compare the volatile components of LJ and LS. Total ion chromatography (TIC) revealed that phthalides (i.e., neocnidilide) and phenylpropanoids (i.e., myristicin) could be thought of as the most critical components in the volatile oils of LJ and LS, respectively. In addition, the chemical components of the volatile oils in LJ and LS were successfully distinguished by hierarchical cluster analysis (HCA) and principal component analysis (PCA). Moreover, two quality markers, including myristicin and neocnidilide, with a very high discriminative value for the classification of LJ and LS, were found by orthogonal partial least squares discriminant analysis (OPLS-DA). The relative contents of myristicin and neocnidilide were 10.86 ± 6.18% and 26.43 ± 19.63% for LJ, and 47.43 ± 12.66% and 2.87 ± 2.31% for LS. In conclusion, this research has developed an effective approach to discriminating LJ and LS based on volatile oils by combining GC-MS with chemical pattern recognition analysis.
莪术根茎（LReR）为姜科植物蓬莪术（Oliv.）或广西莪术（Nakai et Kitag.）的干燥根茎和根。然而，在市场上，蓬莪术和广西莪术经常被混淆。由于挥发油既是莪术根茎的主要活性成分，也是其质量控制指标，因此采用气相色谱-质谱联用（GC-MS）和化学模式识别（CPR）相结合的策略来比较莪术根茎中广西莪术和蓬莪术的挥发性成分。总离子色谱（TIC）表明，倍半萜（如新蛇床内酯）和苯丙素（如肉豆蔻醚）可分别被认为是莪术根茎中广西莪术和蓬莪术挥发油中的关键成分。此外，通过层次聚类分析（HCA）和主成分分析（PCA）成功区分了莪术根茎中广西莪术和蓬莪术挥发油的化学成分。此外，通过正交偏最小二乘判别分析（OPLS-DA）发现了两个质量标志物，包括肉豆蔻醚和新蛇床内酯，它们对莪术根茎中广西莪术和蓬莪术的分类具有非常高的判别价值。莪术根茎中肉豆蔻醚和新蛇床内酯的相对含量分别为 10.86±6.18%和 26.43±19.63%，而蓬莪术根茎中肉豆蔻醚和新蛇床内酯的相对含量分别为 47.43±12.66%和 2.87±2.31%。总之，本研究通过将 GC-MS 与化学模式识别分析相结合，为基于挥发油鉴别莪术根茎中广西莪术和蓬莪术提供了一种有效的方法。
