Resolution of multicomponent overlapped peaks A comparison of several curve resolution methods.

Several curve resolution methods were compared in their performance of identification and quantification of overlapping peaks. These resolution methods are heuristic evolving latent projections (HELP), sub-window factor analysis (SFA), and orthogonal projection resolution (OPR). In this paper, HELP, SFA and OPR with the rank map produced by evolving factor analysis (EFA) or fixed size moving window-evolving factor analysis (FSMW-EFA) were applied to the simulated and experimental data. The resolved results were compared qualitatively and quantitatively. In addition, the further comparison was carried out with the results obtained from multivariate curve resolution-alternate least square (MCR-ALS) by using the initial estimates provided by EFA.

[1]  Bruce R. Kowalski,et al.  Generalized rank annihilation factor analysis , 1986 .

[2]  Yizeng Liang,et al.  Evaluation of gas chromatography-mass spectrometry in conjunction with chemometric resolution for identification of nitrogen compounds in crude oil. , 2003, Talanta.

[3]  H. R. Keller,et al.  Heuristic evolving latent projections: resolving two-way multicomponent data. 2. Detection and resolution of minor constituents , 1992 .

[4]  W. Windig,et al.  Fast self-modeling curve-resolution method for time-resolved mass spectral data , 1988 .

[5]  B. Kowalski,et al.  Multivariate curve resolution applied to spectral data from multiple runs of an industrial process , 1993 .

[6]  Peter D. Wentzell,et al.  Window target-testing factor analysis: theory and application to the chromatographic analysis of complex mixtures with multiwavelength fluorescence detection , 1999 .

[7]  V. Dohnal,et al.  Quantitative analysis of chiral compounds from unresolved peaks in capillary electrophoresis using multivariate calibration with experimental design and artificial neural networks. , 2002, Chirality.

[8]  Albert W. M. Lee,et al.  Simultaneous determination of dithiocarbamates by capillary electrophoresis with diode array detection and using factor analysis , 1997 .

[9]  Yi-Zeng Liang,et al.  Incorporating the prior information of spectra into identification of elution region in hyphenated chromatography , 2001 .

[10]  Fang Zhang,et al.  Quantification of analytes in overlapping peaks from capillary electrophoresis using multivariate curve resolution‐alternating least squares methods , 2003, Electrophoresis.

[11]  Qing-Song Xu,et al.  Local resolution of hyphenated chromatographic data , 1999 .

[12]  Romà Tauler,et al.  Application of an evolving factor analysis-based procedure to speciation analysis in the copper(II)-polyuridylic acid system , 1993 .

[13]  M. Jalali-Heravi,et al.  Characterization and determination of fatty acids in fish oil using gas chromatography-mass spectrometry coupled with chemometric resolution techniques. , 2004, Journal of chromatography. A.

[14]  A comparison of the heuristic evoling latent projections and evolving factor analysis methods for peak purity control in liquid chromatography with photodiode array detection , 1992 .

[15]  W. Windig,et al.  Interactive self-modeling mixture analysis , 1991 .

[16]  Josef Havel,et al.  Artificial neural networks based on genetic input selection for quantification in overlapped capillary electrophoresis peaks. , 2004, Talanta.

[17]  Desire L. Massart,et al.  Application of the needle algorithm for exploratory analysis and resolution of HPLC-DAD data , 1996 .

[18]  Desire L. Massart,et al.  Resolution of multicomponent overlapped peaks by the orthogonal projection approach, evolving factor analysis and window factor analysis , 1997 .

[19]  A. Lorber.  Error propagation and figures of merit for quantification by solving matrix equations , 1986 .

[20]  M. Maeder.  Evolving factor analysis for the resolution of overlapping chromatographic peaks , 1987 .

[21]  Yi-Zeng Liang,et al.  Subwindow factor analysis , 1999 .

[22]  Desire L. Massart,et al.  Optimization of signal denoising in discrete wavelet transform , 1999 .

[23]  P.M.J. Coenegracht,et al.  Comparison of several curve resolution methods for drug impurity profiling using high-performance liquid chromatography with diode array detection , 2003 .

[24]  V. Dohnal,et al.  Quantitative chiral analysis in capillary electrophoresis from unresolved peaks using derivative electropherograms, experimental design, and artificial neural networks , 2003, Electrophoresis.

[25]  Yi-Zeng Liang,et al.  Determination of the volatile chemical constituents of Notoptergium incium by gas chromatography-mass spectrometry and iterative or non-iterative chemometrics resolution methods. , 2003, Journal of chromatography. A.

[26]  R. Tauler,et al.  Multivariate curve resolution applied to liquid chromatography—diode array detection , 1993 .

[27]  Qingsong Xu,et al.  ON THE EQUIVALENCE OF WINDOW FACTOR ANALYSIS AND ORTHOGONAL PROJECTION RESOLUTION , 1999 .

[28]  F. Gong,et al.  Gas chromatography-mass spectrometry and chemometric resolution applied to the determination of essential oils in Cortex cinnamomi. , 2001, Journal of chromatography. A.

[29]  Yizeng Liang,et al.  Heuristic evolving latent projections: resolving two-way multicomponent data. 1. Selectivity, latent-projective graph, datascope, local rank, and unique resolution , 1992 .

[30]  Desire L. Massart,et al.  Algorithm for the assessment of peak purity in liquid chromatography with photodiode-array detection , 1994 .

[31]  B. Grung,et al.  Resolution of multicomponent profiles with partial selectivity. A comparison of direct methods , 1995 .

[32]  Fang Zhang,et al.  Resolution of overlapping capillary electrophoresis peaks by using chemometric analysis: Quantification of the components in compound reserpine tablets , 2005, Electrophoresis.

[33]  G. Kateman,et al.  Three-component curve resolution in liquid chromatography with multiwavelength diode array detection , 1985 .

[34]  R. Tauler,et al.  Spectroscopic resolution of macromolecular complexes using factor analysis: Cu(II) -polyethyleneimine system , 1992 .