近红外漫反射光谱法测定川藏道地药材菥蓂子中黑芥子苷含量

Determination of Sinigrin in Semen Thlaspi From Sichuan and Tibet Using Near Infrared Diffuse Reflectance Spectroscopy

提出了用近红外光谱技术快速测定川藏道地药材菥蓂子中指标成分黑芥子苷含量的方法。对黑芥子苷含量在1.962%～3.917%范围的不同来源的菥蓂子,根据其在12500～3600cm-1的近红外吸收光谱,采用偏最小二乘法(PLS)建立了校正模型,比较了光谱不同预处理方法对校正结果的影响。当采用最大最小归一化法时能最有效地提取光谱的信息,此时校正集相关系数(r)为0.9898,校正集标准偏差(SEC)为0.0233,预测集标准偏差(SPE)为0.1112。该方法快速简便,适合于重要指标成分的快速分析。

The objective of the present study was to develop a method for the determination of sinigrin in semen Thlaspi from Sichuan using near infrared diffuse reflectance spectroscopy. Near infrared spectra （NIR） in the region of 7 502.1-5 446.2 cm^-1 were recorded for the 246 semen Thlaspi samples containing sinigrin in the content of 1. 962%-3. 917%. Calibration models were established using the PLS （partial least squares）. Different spectra pretreatment methods were compared. The study showed that spectral information can be extracted thoroughly by minimum and maximum normalization pretreatment methods. In this calibration model, the correlation coefficient （R^2） was 0. 928 0, the SEC （standard deviation of the calibration sets） was 0. 314 and the SEP （standard deviation of the prediction sets） was 0. 388. Results indicated that near infrared diffuse reflectance spectroscopy method can be used to rapidly analyze the valid component in traditional Chinese medicine, and also can be used in the quality control of traditional Chinese medicine.