【摘要】 利用漫反射法获得甲氧苄啶粉末药品的近红外光谱(波长范围1100-2500nm),采用化学计量学中的偏最小二乘法(PLS)及不同的光谱预处理方法(标准归一化(SNV)、一阶导数和二阶导数)对光谱进行信息提取和分析,对甲氧苄啶粉末药品进行了无损定量分析,以样品中甲氧苄啶为活性成分建立了最佳的数学校正模型。同时讨论了主成分数对PLS模型定量预测能力的影响,并对所得结果做出了比较。更多还原

【Abstract】 A method for non-destructive quantitative analysis of trimethoprim powder was investigated by using of near-infrared spectroscopy combined with partial least squares(PLS),and the optimal calibration models for the determination of the concentrations of trimethoprim were built simultaneously.Furthermore,three pretreated spectra(SNV spectra,first-derivative spectra and second-derivative spectra) were used and compared.The effects of the number of principal components on the predicted ability of PLS models were discussed and the concentrations of trimethoprim in the prediction samples were predicted.The PLS model that established with first-derivative preprocessed spectra shows the best result.更多还原