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Quality control of Notopterygii rhizoma et radix using near infrared spectroscopy and chemometrics
Vibrational Spectroscopy ( IF 2.7 ) Pub Date : 2020-11-01 , DOI: 10.1016/j.vibspec.2020.103181 Yizhe Hou , Yunlan Lian , Honggen Wu , Minsheng Li , Yunfang Hao , Wenlong Li , Zheng Li
Vibrational Spectroscopy ( IF 2.7 ) Pub Date : 2020-11-01 , DOI: 10.1016/j.vibspec.2020.103181 Yizhe Hou , Yunlan Lian , Honggen Wu , Minsheng Li , Yunfang Hao , Wenlong Li , Zheng Li
Abstract A set of qualitative and quantitative analysis methods based on near infrared (NIR) spectroscopy was established to identify the origin of Notopterygium incisum Ting ex H. T. Chang (NI) and Notopterygium franchetii H. de Boiss (NF), determine the effective components quickly and accurately. Firstly, the contents of volatile oil, notopterol and isoimperatorin (nop-isp) were determined according to the method from Chinese Pharmacopoeia for all the collected samples. The results showed that the average contents of volatile oil in the two kind of Notopterygii rhizoma et radix (Qianghuo) were 2.38 % (v/w) and 1.76 % (v/w), while the total contents of nop-isp were 1.00 % (w/w) and 0.86 % (w/w), respectively. Secondly, NIR spectra of 145 Qianghuo samples were collected using Antaris II FT-NIR System under optimized acquisition conditions. Then, the qualitative model of orthogonal partial least squares discriminant analysis (OPLS-DA) was established and validated after spectra pretreatment. From the three-dimensional scoring scatter chart, it can be seen that there were obvious boundaries between the two kinds of samples, and the internal corss validation accuracy rate of the model was 100 %, while the external validation error rate was 4.4 %. Finally, the partial least squares regression (PLSR) quantitative models of volatile oil and nop-isp in NI and NF were established, respectively. For the NI samples, the quantitative model of nop-isp had better performance, the correlation coefficients (R) was all above 0.95, and the RMSEC, RMSEP and RMSECV values were all lower than 0.12 % (w/w), while for the quantitative model of volatile oil, the R was all lower than 0.82, and RMSEC, RMSEP and RMSECV were all all above 0.35 % (v/w). For the NI samples, regarding the quantitative model of nop-isp, R was all above 0.90, RMSEC, RMSEP and RMSECV were all all lower than 0.18 % (w/w), while for the quantitative models of volatile oil, R was all lower than 0.80, RMSEC, RMSEP and RMSECV were all above 0.30 % (v/w). In this study, the established qualitative and quantitative models are accurate and reliable, and can reflect the overall quality information of Qianghuo, which is helpful to the quality control of Qianghuo and has reference value for the quality control of other traditional Chinese medicines.
更新日期：2020-11-01
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