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近红外光谱法应用于蒲黄总灰分的定量预测研究
引用本文:刘薇,肖新月,魏锋,林瑞超.近红外光谱法应用于蒲黄总灰分的定量预测研究[J].药物分析杂志,2011(10).
作者姓名:刘薇  肖新月  魏锋  林瑞超
作者单位:中国食品药品检定研究院;
摘    要:目的:利用近红外光谱分析技术,建立中药蒲黄总灰分的快速、无损测定方法。方法:采用偏最小二乘回归方法(PLSR)对不同的光谱预处理方法、建模波段和因子数选择等进行比较,建立定量预测模型,并考察模型预测准确度。结果:以一阶导数结合多元散射校正法建立模型,校正模型的相关系数为0.9994,内部交叉验证均方根差(RMSECV)为0.293;交叉检验决定系数(RPD)为29.4,偏移小于0.013。结论:结果表明,总灰分为6.0%~27.3%的10批蒲黄样品的预测值与实测值的相对偏差均小于7.5%。该方法与常规总灰分测定方法比较快速、无损,预测结果准确、可靠,有望推广应用于中药蒲黄的快速检验。

关 键 词:近红外光谱  蒲黄  定量预测  偏最小二乘回归方法  

Research on the quantitative prediction of total ash of Pollen Typhae by NIRS
LIU Wei,XIAO Xin-yue,WEI Feng,LIN Rui-chao.Research on the quantitative prediction of total ash of Pollen Typhae by NIRS[J].Chinese Journal of Pharmaceutical Analysis,2011(10).
Authors:LIU Wei  XIAO Xin-yue  WEI Feng  LIN Rui-chao
Institution:LIU Wei,XIAO Xin-yue,WEI Feng,LIN Rui-chao(National Institute for Food and Drug Control,Beijing 100050,China)
Abstract:Objective:To use near infrared spectroscopy analytical technique for establishment a rapid and non-destructive method to determine the quantitative of Pollen Typhae.Methods:Partial least squares regression(PLRS) was used for building the quantitative prediction model of Pollen Typhae.Different calibration methods were compared with spectral pretreated methods,wave-number selection and factors of NIRS were discussed in detail.Results:The first derivative and multiplicative scatter correction method was used ...
Keywords:near infrared spectroscopy  Pollen Typhae  quantitatively prediction  partial least squares regression  
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