化学
色谱法
化学计量学
偏最小二乘回归
樟脑
气相色谱法
科瓦茨保留指数
数学
统计
有机化学
作者
Xiaojuan Zhang,Lunzhao Yi,Baichuan Deng,Chen Lian,Shuting Shi,Yongliang Zhuang,Yi Zhang
标识
DOI:10.1002/jssc.201500730
摘要
This study was conducted to investigate the chemical differences between Acori Tatarinowii Rhizoma and Acori Calami Rhizoma using gas chromatography with mass spectrometry and chemometric methods. Quantitative fingerprints were established. A total of 90 volatile compounds were identified and quantified using heuristic evolving latent projection and retention index. An efficient model based on partial least squares-discriminant analysis coupled with variable iterative space shrinkage approach was developed to distinguish Acori Tatarinowii Rhizoma from Acori Calami Rhizoma. The correct rate was 95.83%, and the area under the receiver operating characteristic curve was 100%. Finally, three volatiles, namely, camphor, longicyclene, and δ-cadinene, were selected as key discrimination factors between Acori Tatarinowii Rhizoma and Acori Calami Rhizoma. The proposed protocol can serve as a valid strategy for quality control and screening of potential bioactive components of herbal medicines.
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