Quantitative Analysis Method of Infrared Spectra Based on Derivative Spectra Fusion Modeling
Li Zhi-Gang1; Peng Si-Long2; Yang Ni3; Wang Qiao-Yun1; Lu Jiang-Tao1; Hu Xiao-Fei1
2016-03-01
发表期刊CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
卷号44期号:3页码:437-443
文章类型Article
摘要A derivative spectral estimator (DSE) based on singular perturbation technique was designed and a quantitative analysis method based on derivative spectra information space, termed derivative spectra fusion interval partial least squares (DSF-iPLS) modeling was proposed. DSF-iPLS mainly focused on obtaining final fusion model by making full use of derivative spectra information. The glucose spectra dataset with concentrate ranging from 0.04% to 5% and the beer spectra dataset with the original extract concentration ranging from 4.23 to 18.76 degrees P (Plato) were used to evaluate the effectiveness of the proposed quantitative analysis method. The experiment results indicated that DSF-iPLS model for two infrared spectra datasets provided the minimum root mean square error of prediction (RMSEP) and the values were 0.121 and 0.087, respectively. Compared with other single model, DSF-iPLS model based derivative spectra could provide more excellent predictive performance.
关键词Quantitative Analysis Singular Perturbation Technique Derivative Spectra Interval Partial Least Squares Fusion Modeling
WOS标题词Science & Technology ; Physical Sciences
DOI10.11895/j.issn.0253-3820.150765
关键词[WOS]PARTIAL LEAST-SQUARES ; BEER QUALITY ; SPECTROSCOPY ; SPECTROMETRY ; REGRESSION ; NOISE
收录类别SCI
语种英语
项目资助者National Natural Science Foundation of China(11404054) ; Natural Science Foundation of Hebei Province(F2016501138 ; F2014501127)
WOS研究方向Chemistry
WOS类目Chemistry, Analytical
WOS记录号WOS:000378353000011
引用统计
被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ia.ac.cn/handle/173211/12047
专题智能制造技术与系统研究中心_先进制造与自动化
作者单位1.Northeastern Univ, Coll Informat Sci & Engn, Shenyang 110819, Peoples R China
2.Chinese Acad Sci, Inst Automat, Beijing 100190, Peoples R China
3.Shanghai Inst Measurement & Testing Technol, Shanghai 201203, Peoples R China
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Li Zhi-Gang,Peng Si-Long,Yang Ni,et al. Quantitative Analysis Method of Infrared Spectra Based on Derivative Spectra Fusion Modeling[J]. CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,2016,44(3):437-443.
APA Li Zhi-Gang,Peng Si-Long,Yang Ni,Wang Qiao-Yun,Lu Jiang-Tao,&Hu Xiao-Fei.(2016).Quantitative Analysis Method of Infrared Spectra Based on Derivative Spectra Fusion Modeling.CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,44(3),437-443.
MLA Li Zhi-Gang,et al."Quantitative Analysis Method of Infrared Spectra Based on Derivative Spectra Fusion Modeling".CHINESE JOURNAL OF ANALYTICAL CHEMISTRY 44.3(2016):437-443.
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