【摘要】 目的运用近红外光谱技术(NIRS)对筋骨痛消丸中水分的含有量进行快速测定。方法通过TQ Analyst 8.0分析软件将近红外光谱图与筋骨痛消丸中水分的含有量进行关联,对光谱预处理方法、建模区间和主成分数进行考察,得到最佳建模条件,选用NIRS结合偏最小二乘法(PLS)建立测定筋骨痛消丸中水分含有量的近红外定量分析模型。结果筋骨痛消丸中水分含有量定量分析模型的内部交叉验证决定系数(R2)为0.984 52,校正均方根偏差(RMSEC)为0.034 4,预测均方根偏差(RMSEP)为0.037 2,16份验证集样品水分含有量预测值和参考值的平均偏差为0.02%,预测相关系数为0.972 2。结论近红外光谱技术建立的定量分析模型可以对筋骨痛消丸中水分含有量进行快速测定。更多还原

【Abstract】 AIM To determine the content of water in Jingu Tongxiao Pills by near-infrared spectroscopy( NIRS). METHODS Near infrared spectra and water content in Jingu Tongxiao Pills were correlated by TQ Analyst 8. 0 analysis software. The optimal modeling conditions were obtained by investigating spectral pretreatment methods,modeling spectral bands and main factors. The quantitative model of water content in Jingu Tongxiao Pills was established by NIRS combined with partial least squares( PLS). RESULTS The correlation coefficients( R2),root mean square error of calibration( RMSEC) and root mean square error of predication( RMSEP) of water content and quantitative analysis model in Jingu Tongxiao Pills were 0. 984 52,0. 034 4 and 0. 037 2,respectively. The average deviation of predictive values and reference values for 16 validation sets on water contents was0. 02%,and the forecast correlation coefficient was 0. 972 2. CONCLUSION It is feasible to fast determine the content of water in Jingu Tongxiao Pills by NIRS.更多还原