| 八组分醇类混合物的同时傅里叶变换红外光谱多元定量分析 |
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| 引用本文： | 马仁玲,周红华,王镇浦.八组分醇类混合物的同时傅里叶变换红外光谱多元定量分析[J].计算机与应用化学,2004,21(2):241-244. |
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| 作者姓名： | 马仁玲 周红华 王镇浦 |
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| 作者单位： | 中国药科大学分析测试中心;南京工业大学应用化学系,江苏,南京,210009 |
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| 摘 要： | 光谱的多元定量分析是化学计量学的主要研究对象，应用偏最小二乘法(Panjal Least-Squares，PLS)对傅里叶变换红外光谱严重重叠的醇类八组分混合体系进行同时定量分析，并与其它化学计量学方法所得结果进行比较。PLS法采用校准技术，充分利用浓度和吸收度的信息，具有很强的抗干扰能力，是一种优良的多元定量分析化学计量学法。
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| 关 键 词： | 化学计量学 傅里叶变换红外光谱 多元定量分析 偏最小二乘法 |
| 文章编号： | 1001-4160(2004)02-241-244 |
Multivariate quantitative FTIR analysis of eight components system containing alcohol homologs and isomers |
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| MA RenLing ZHOU HongHua and WANG ZhenPu.Multivariate quantitative FTIR analysis of eight components system containing alcohol homologs and isomers[J].Computers and Applied Chemistry,2004,21(2):241-244. |
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| Authors: | MA RenLing ZHOU HongHua and WANG ZhenPu |
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| Affiliation: | MA RenLing~1 ZHOU HongHua~1 and WANG ZhenPu~2 |
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| Abstract: | Multivariate spectral analysis is an important research object of chemometrics.PLS method was used for simulta-neous quantitative analysis of eight components system containing alcohol homologs and isomers.FTIR spectra of the eightcomponents system overlap seriously.The results of PLS method were compared with other chemometric methods.PLSmethod can fully make use of information of concentration and absorbance in the calibration samples and has a strong abilityof resisting interference.PLS method is a multivariate statistical method with good feature. |
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| Keywords: | chemometrics FIIR multivariate quantitative analysis PLS method |
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