Wang Lei-Lei, Chen Cong, Zhou Min, Wang Jian-Zhong, Luo Xia, Huang Guo, Ye Li-Ming
West China School of Pharmacy, Sichuan University, Chengdu 610041, China.
Guang Pu Xue Yu Guang Pu Fen Xi. 2009 Oct;29(10):2673-6.
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 (R2) was 0.9280, 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.
本研究的目的是建立一种利用近红外漫反射光谱法测定四川菥蓂籽中芥子碱的方法。对246份芥子碱含量在1.962% - 3.917%之间的四川菥蓂籽样品记录了7502.1 - 5446.2 cm(-1)区域的近红外光谱（NIR）。采用偏最小二乘法（PLS）建立校准模型。比较了不同的光谱预处理方法。研究表明，通过最小-最大归一化预处理方法可充分提取光谱信息。在此校准模型中，相关系数（R2）为0.9280，校准集标准偏差（SEC）为0.314，预测集标准偏差（SEP）为0.388。结果表明，近红外漫反射光谱法可用于快速分析中药中的有效成分，也可用于中药的质量控制。
