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Resolving co-eluting chromatographic patterns by means of dissimilarity analysis in iterative target transformation factor analysis
Zhang, Liangxiao1,2,3; Zhang, Wan1; Cao, Dongsheng1; Zeng, Maomao4,5; Liang, Yizeng1; Kvalheim, Olav M.2
KeywordDissimilarity Analysis Multivariate Curve Resolution Ittfa Efa Gc/ms Data
Source PublicationJOURNAL OF CHROMATOGRAPHY A
2011-10-07
DOI10.1016/j.chroma.2011.08.010
Volume1218Issue:40Pages:7219-7225
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Life Sciences & Biomedicine ; Physical Sciences
WOS SubjectBiochemical Research Methods ; Chemistry, Analytical
WOS Research AreaBiochemistry & Molecular Biology ; Chemistry
WOS KeywordMODELING CURVE RESOLUTION ; EVOLVING LATENT PROJECTIONS ; PHOTODIODE-ARRAY DETECTION ; 2-WAY MULTICOMPONENT DATA ; LIQUID-CHROMATOGRAPHY ; PEAK PURITY ; KEY SET ; VECTORS ; COMPONENTS ; SELECTION
AbstractThe initialization of concentration vector for iterative target transformation factor analysis (ITTFA) and identification of pure or key variables are the important issue in MCR. In this study, dissimilarity analysis and evolving factor analysis (EFA) are combined to find the selective or key variables and subsequently obtain initial estimates of the concentration vectors for resolution of gas chromatography/mass spectrometry (GC/MS) data by ITTFA. For systems containing components with highly similar mass spectra, a new constraint setting the elements out of elution window to 0 is used to improve convergence rate and accuracy of results. Tested by standard mixture of two wax esters and real GC/MS data of gasoline 97#, dissimilarity based ITTFA could obtain accurate results (average Dot product of concentration vectors, average deviation of peak area ratio and average similarity of mass spectra are 0.9929, 0.0228 and 981.0, respectively). (C) 2011 Elsevier B.V. All rights reserved.
Language英语
WOS IDWOS:000295300600018
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/142424
Collection中国科学院大连化学物理研究所
Affiliation1.Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China
2.Univ Bergen, Dept Chem, N-5007 Bergen, Norway
3.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
4.Jiangnan Univ, State Key Lab Food Sci & Technol, Wuxi 214122, Peoples R China
5.Jiangnan Univ, Sch Food Sci & Technol, Wuxi 214122, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Liangxiao,Zhang, Wan,Cao, Dongsheng,et al. Resolving co-eluting chromatographic patterns by means of dissimilarity analysis in iterative target transformation factor analysis[J]. JOURNAL OF CHROMATOGRAPHY A,2011,1218(40):7219-7225.
APA Zhang, Liangxiao,Zhang, Wan,Cao, Dongsheng,Zeng, Maomao,Liang, Yizeng,&Kvalheim, Olav M..(2011).Resolving co-eluting chromatographic patterns by means of dissimilarity analysis in iterative target transformation factor analysis.JOURNAL OF CHROMATOGRAPHY A,1218(40),7219-7225.
MLA Zhang, Liangxiao,et al."Resolving co-eluting chromatographic patterns by means of dissimilarity analysis in iterative target transformation factor analysis".JOURNAL OF CHROMATOGRAPHY A 1218.40(2011):7219-7225.
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