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目的:利用近红外漫反射技术和化学计量学的方法对茯苓药材的水分进行快速定量分析。方法:用积分球漫反射光谱采样系统测定样品的近红外漫反射光谱,定量模型的预处理方法为多元散射校正(MSC)和一阶微分处理,波长范围为5 924～5 789cm-1、5 172～4 798cm-1和4 493～4 323cm-1,回归方法为偏最小二乘法(PLS)。结果:定量模型的最佳主因子数为8,内部交叉验证均方差RMSECV为0.453,决定系数R2为0.998,外部验证预测均方差RMSEP为0.366,系统精密度RSD为1.3%,方法精密度RSD为2.2%。结论:建立预测模型对茯苓药材的水分进行测定是可行的,该法分析快速简便,结果准确。
OBJECTIVE: To rapidly and quantitatively determine the water content of Poria cocos by means of near-infrared diffuse reflectometry and chemometrics. Methods: The near-infrared diffuse reflectance spectra of the samples were determined by using an integrating sphere diffuse reflectance spectroscopy sampling system. The pretreatment methods of the quantitative model were multiple scattering correction (MSC) and first-order differential processing with the wavelength range of 5 924-5789 cm -1 172 ~ 4 798cm-1 and 4 493 ~ 4 323cm-1, and the regression method was partial least squares (PLS). Results: The best principal factor of the quantitative model was 8, RMSECV of internal cross-validation was 0.453, coefficient of determination R2 was 0.998, RMSEP of external validation was 0.366, RSD of system precision was 1.3%, RSD was 2.2%. Conclusion: It is feasible to establish the prediction model to determine the water content of Poria cocos with its fast and simple method and accurate results.