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 | |
刊名 | journal of chromatography a |
2011-10-07 | |
卷号 | 1218期号:40页码:7219-7225 |
关键词 | Dissimilarity analysis Multivariate curve resolution ITTFA EFA GC/MS data |
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. |
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 |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000295300600018 |
公开日期 | 2015-11-17 |
内容类型 | 期刊论文 |
源URL | [http://159.226.238.44/handle/321008/142424] |
专题 | 大连化学物理研究所_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 |
推荐引用方式 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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