根(腹足类)
化学计量学
线性判别分析
偏最小二乘回归
色谱法
数学
主成分分析
四极飞行时间
模式识别(心理学)
化学
质谱法
人工智能
统计
计算机科学
生物
串联质谱法
植物
作者
Xie‐an Yu,Jin Li,John Teye Azietaku,Wei Liu,Jun He,Yanxu Chang
出处
期刊:Molecules
[MDPI AG]
日期:2019-10-03
卷期号:24 (19): 3574-3574
被引量:3
标识
DOI:10.3390/molecules24193574
摘要
An ultra-high-performance liquid chromatography-quadrupole/time of flight mass spectrometry is used to identify 33 compounds in Notopterygii rhizoma and radix, after which a single standard to determine multi-components method is established for the simultaneous determination of 19 compounds in Notopterygii rhizoma and radix using chlorogenic acid and notopterol as the internal standard. To screen the potential chemical markers among Notopterygii rhizoma and radix planted in its natural germination area and in others, the quantitative data of 19 compounds are analyzed via partial least-squares discriminant analysis (PLS-DA). Depending on the variable importance parameters (VIP) value of PLS-DA, six compounds are selected to be the potential chemical markers for the discrimination of Notopterygii rhizoma and radix planted in the different regions. Furthermore, the Fisher's discriminant analysis is used to build the models that are used to classify Notopterygii rhizoma and radix from the different regions based on the six chemical markers. Experimental results indicate that Notopterygii rhizoma and radix planted in the Sichuan province are distinguished successfully from those in other regions, reaching a 96.0% accuracy rating. Therefore, a single standard to determine multi-components method combined with a chemometrics method, which contains the advantages such as simple, rapid, economical and accurate identification, offers a new perspective for the quantification, evaluation and classification of Notopterygii rhizoma and radix from the different regions.
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