近红外漫反射光谱-偏最小二乘法非破坏定量分析维生素C片

Nondestructive quantitative analysis of Vitamin C Tablets by near infrared diffuse reflectance spectroscopy with partial least squares regression

目的采用近红外漫反射技术结合偏最小二乘法对维生素C片中的维生素C进行非破坏性定量分析。方法110个校正集样品采用近红外二阶导数在10 000~4 000 cm-1光谱区间建立了维生素C片中维生素C的含量定量分析模型,对验证集进行验证,并计算实际样品的标示含量。结果校正集预测值与真实值的相关系数（r）为0.996 9,校正均方根误差（RMSEC）为1.30。对10个验证集样品进行外部验证,预测均方根误差（RMSEP）为0.656,预测值的平均回收率为97.24%（RSD=4.89%,n=10）。结论本方法简便,快速,准确,适用于药品快速检查和质量控制。

Objective To develop a near infrared diffuse reflectance spectroscopy with partial least square fitting（NIR-PLS） for nondestructive quantitative analysis of Vitamin C in Vitamin C Tablets.Methods A mathematical calibration model（110 samples） of NIR was proposed using the second derivative spectrum in the wavelength range of 10 000-4000 cm-1.This model was applied to predict the validation set and detect the marked concentration of Vitamin C in Vitamin C Tablets.Results The correlation coefficient（r） of the prediction value and the actual value in calibration set was 0.996 9,the root mean standard error of calibration（RMSEC） was 1.30.The root mean standard error of prediction（RMSEP） was 0.656 from the cross-validation.The average recovery of the prediction set was 97.24%（RSD = 4.89%,n = 10）.Conclusion The established method is a rapid and simple way with good accuracy.The method can be applied in rapid qualitative and quantitative analysis of drugs.