| 近红外光谱结合偏最小二乘法对甲氧苄啶粉末药品的定量分析 |
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| 引用本文： | 刘福强,任瑞雪,周慧琴,费强,任瑞冰,王彬,任玉林.近红外光谱结合偏最小二乘法对甲氧苄啶粉末药品的定量分析[J].生命科学仪器,2010,8(1):17-19. |
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| 作者姓名： | 刘福强 任瑞雪 周慧琴 费强 任瑞冰 王彬 任玉林 |
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| 作者单位： | 1. 解放军208医院药剂科,长春,130036
2. 吉林大学化学学院,长春,130023 |
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| 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。
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| 关 键 词： | 偏最小二乘法 近红外光谱 甲氧苄啶粉末药品。 |
Quantitative Analysis of Trimethoprim Powder by Use of PLS combined with Near-Infrared spectroscopy |
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| Fu-qiang Liu,Rui-xue Ren,Hui-qin Zhou,Qiang Fei,Rui-bing Ren,Bin Wang,Yu-lin Ren.Quantitative Analysis of Trimethoprim Powder by Use of PLS combined with Near-Infrared spectroscopy[J].Life Science Instruments,2010,8(1):17-19. |
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| Authors: | Fu-qiang Liu Rui-xue Ren Hui-qin Zhou Qiang Fei Rui-bing Ren Bin Wang Yu-lin Ren |
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| Affiliation: | 1.Department of Pharmacy,People＇s Liberation Army 208 Hospital;2.College of Chemistry,Jilin University,Changchun 130023) |
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| 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. |
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| Keywords: | Partial least squares Near-infrared spectroscopy Trimethoprim Powder |
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