CASIA OpenIR  > 智能制造技术与系统研究中心  > 先进制造与自动化
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
Source PublicationCHINESE JOURNAL OF ANALYTICAL CHEMISTRY
2016-03-01
Volume44Issue:3Pages:437-443
SubtypeArticle
AbstractA 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.
KeywordQuantitative Analysis Singular Perturbation Technique Derivative Spectra Interval Partial Least Squares Fusion Modeling
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.11895/j.issn.0253-3820.150765
WOS KeywordPARTIAL LEAST-SQUARES ; BEER QUALITY ; SPECTROSCOPY ; SPECTROMETRY ; REGRESSION ; NOISE
Indexed BySCI
Language英语
Funding OrganizationNational Natural Science Foundation of China(11404054) ; Natural Science Foundation of Hebei Province(F2016501138 ; F2014501127)
WOS Research AreaChemistry
WOS SubjectChemistry, Analytical
WOS IDWOS:000378353000011
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ia.ac.cn/handle/173211/12047
Collection智能制造技术与系统研究中心_先进制造与自动化
Affiliation1.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
Recommended Citation
GB/T 7714
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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