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目的运用近红外光谱技术和化学计量学方法,对筋骨痛消丸中醇浸出物的含量进行快速测定。方法测定100份筋骨痛消丸醇浸出物的含量,采集所有样品的近红外光谱。采用光谱处理方法为偏最小二乘法(PLS)+二阶导数(SD),用TQ 8.0软件结合PLS建立醇浸出物的近红外光谱(NIR)定量模型。结果建模范围为8 116.04~11 983.82 cm-1,主因子数为7,校正集内部交叉验证决定系数(R2)为0.99 778,校正集均方根偏差(RMSEC)为0.0 376,交叉验证集均方根偏差(RMSEP)为0.547,预测集平均相对误差为2.39%。结论利用近红外光谱技术建立的模型对筋骨痛消丸中醇浸出物的含量测定是可行的,该方法快速、简便、结果准确。
Objective To determine the content of alcohol extract in blessing bone pain pill by near infrared spectroscopy and chemometrics method. Methods The content of alcohol extract in 100 parts of bones and muscles was measured and the near infrared spectra of all the samples were collected. The PLS and the second derivative (SD) were calculated by spectral method. The NIR quantitative model of alcohol extract was established by using TQ 8.0 software combined with PLS. The results showed that the modeling range was 8 116.04 to 11 983.82 cm-1, the number of main factors was 7, the internal validation coefficient (R2) of calibration set was 0.99 778, the root mean square deviation of calibration set (RMSEC) was 0.0 376, The root mean square deviation (RMSEP) was 0.547 and the average relative error of the prediction set was 2.39%. Conclusion The model established by near infrared spectroscopy is feasible to determine the content of alcohol extract in blessing bone decoction pill. The method is rapid, simple and accurate.