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短波近红外光谱-偏最小二乘法非破坏分析复方头孢氨卞片
引用本文:赵羚志,任玉秋,窦英,任玉林.短波近红外光谱-偏最小二乘法非破坏分析复方头孢氨卞片[J].福建农林大学学报(哲学社会科学版),2006(4).
作者姓名:赵羚志  任玉秋  窦英  任玉林
作者单位:吉林大学化学学院 长春130021(赵羚志,任玉林),白城药学院 白城137000(任玉秋),天津科技大学理学院 天津300222(窦英)
摘    要:本文应用偏最小二乘法(PLS)同短波近红外漫反射光谱相结合,对复方头孢氨卞片进行了无损非破坏定量分析,以样品中头孢氨卞和甲氧卞啶为活性成分建立了最佳的数学校正模型。分别讨论了三种预处理光谱,即标准归一化(SNV)、一阶导数和二阶导数光谱中主成分数对PLS定量预测能力的影响,证明使用SNV预处理光谱更有优越性。

关 键 词:短波近红外漫反射光谱  偏最小二乘法  光谱预处理  复方头孢氨卞片

Non-destructive Analysis of Compound Cefalexin Tablets by Use of PLS and Short-wavelength NIR Spectroscopy
Lingzhi Zhao,Yuqiu Ren,Ying Dou,Yulin Ren.Non-destructive Analysis of Compound Cefalexin Tablets by Use of PLS and Short-wavelength NIR Spectroscopy[J].Journal of Fujian Agriculture and Forestry University,2006(4).
Authors:Lingzhi Zhao  Yuqiu Ren  Ying Dou    Yulin Ren
Institution:Lingzhi Zhao1,Yuqiu Ren2,Ying Dou3,*,Yulin Ren1
Abstract:Non-destructive quantitative analysis of partial least squares (PLS) and near-infrared spectroscopy for compound cefalexin tablets was investigated and the best mathematic calibration models of the two active components (cefalexin and trimethoprim) were built simultaneously. Furthermore the three pretreated spectra, namely, SNV spectra, first-derivative spectra and second-derivative spectra, were used and compared. The effects of number of principal components on the predicted ability of PLS were discussed and the validation set was predicted. SNV spectra result the best predicted ability.
Keywords:Short-wavelength near-infrared spectroscopy  Partial least squares  Pretreated spectra  Compound cefalexin tablets  
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