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题名: Resolving co-eluting chromatographic patterns by means of dissimilarity analysis in iterative target transformation factor analysis
作者: 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
发表日期: 2011-10-07
DOI: 10.1016/j.chroma.2011.08.010
卷: 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
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.
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
语种: 英语
WOS记录号: WOS:000295300600018
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142424
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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