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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
关键词Dissimilarity Analysis Multivariate Curve Resolution Ittfa Efa Gc/ms Data
刊名JOURNAL OF CHROMATOGRAPHY A
2011-10-07
DOI10.1016/j.chroma.2011.08.010
1218期:40页:7219-7225
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences
类目[WOS]Biochemical Research Methods ; Chemistry, Analytical
研究领域[WOS]Biochemistry & Molecular Biology ; Chemistry
关键词[WOS]MODELING CURVE RESOLUTION ; EVOLVING LATENT PROJECTIONS ; PHOTODIODE-ARRAY DETECTION ; 2-WAY MULTICOMPONENT DATA ; LIQUID-CHROMATOGRAPHY ; PEAK PURITY ; KEY SET ; VECTORS ; COMPONENTS ; SELECTION
英文摘要The 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.
语种英语
WOS记录号WOS:000295300600018
引用统计
被引频次:4[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/142424
专题中国科学院大连化学物理研究所
作者单位1.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
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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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