Quantitative analysis of chiral compounds from unresolved peaks in capillary electrophoresis using multivariate calibration with experimental design and artificial neural networks

Application of multivariate curve resolution with alternating least squares (ALS) methods to second-order data from capillary electrophoresis diode array detector (CE-DAD) is shown. Second-order data are easily obtained by setting individual data matrix of CE run one in top of the other. Initial qualitative solutions obtained by evolving factor analysis can be further optimized by simultaneous analysis of multiple electrophoresis run data with ALS regression. Quantification is achieved by the comparison of the analyte peak areas with that of pure standards. During the ALS regression procedure, the following constraints were applied: (i) both concentrations and unit pure spectra of the resolved components must be positive; (ii) elution profiles have an unimodal shape; (iii) correspondence exists between common species in the different data matrices; (iv) the pure spectrum of each species is the same in all runs where it is present. The above methods were applied for the determination of dinitrotoluene (DNT) isomeric compounds in overlapping peaks from CE.

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“…These concentration profiles are used as initial values in a constrained ALS [14] optimization procedure. When a three-way data is analyzed, Eq.…”

Section: Description Of the Als Methodsmentioning

confidence: 99%

“…Dohnal et al [13] used experimental design and artificial neural networks (ED-ANN) for quantitative analysis of chiral compounds in unresolved peaks from CE runs. Artificial neural networks (ANNs) have also been used for quantification in unresolved CE peaks by Bocaz-Beneventi et al [14].…”

Section: Introductionmentioning

confidence: 99%

Quantification of analytes in overlapping peaks from capillary electrophoresis using multivariate curve resolution‐alternating least squares methods

Zhang

Havel

2003

Electrophoresis

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“…0.05% of the minor enantiomer could be detected. [99] demonstrated that quantitative analysis of chiral compounds in CE is also possible in the case of unresolved peaks. Deconvolution of overlapped peaks as proposed for HPLC is difficult to apply in CE because electropherograms are not always reproducible.…”

Section: Enantioseparations Of Nonracemic Mixtures Determination Of mentioning

confidence: 99%

Pharmaceutical and biomedical applications of chiral capillary electrophoresis and capillary electrochromatography: An update

Scriba¹

2003

Electrophoresis

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Pharmaceutical and biomedical applications of chiral capillary electrophoresis and capillary electrochromatography: An updateCapillary electrophoresis is often considered an ideal method for the chiral analysis of compounds due to the high separation power of the technique and has therefore found widespread acceptance for the analysis of drugs and pharmaceuticals. In contrast, capillary electrochromatography is still more or less in an infancy state searching for its place among the analytical separation techniques although interesting applications have been published. The present review summarizes recent developments and applications of chiral pharmaceutical analysis by electromigration techniques published in 2002 and early 2003.

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“…Latorre et al [2] have used partial least squares (PLS) regression for the determination of amino acids in overlapped CE peaks. Dohnal et al [3] used experimental design and artificial neural networks (EDANNs) for quantitative analysis of chiral compounds in unresolved peaks from CE runs [3]. ANNs have also been used for quantification in unresolved CE peaks by BocazBeneventi et al [4].…”

Section: Introductionmentioning

confidence: 98%

Resolution of overlapping capillary electrophoresis peaks by using chemometric analysis: Quantification of the components in compound reserpine tablets

Zhang

2005

Electrophoresis

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The application of multivariate curve resolution with alternating least squares (MCR-ALS) methods to second-order data from capillary electrophoresis with diode array detector (CE-DAD) is reported. Initial qualitative solutions obtained by evolving factor analysis (EFA) and pure-variable detection method can be further optimized by a simultaneous analysis of multiple electrophoresis run data with ALS regression. While unknown samples are analyzed simultaneously against the corresponding standards in different composition ratios, the exact amounts of common components in different CE runs can be determined by the traditional calibration curve method, and quantification can thus be achieved. The above methods are applied to the determination of the components in compound reserpine tablets in overlapping peaks from CE. The quantification results are compared with those of the first derivative of the electropherogram method and artificial neural network (ANN) method.

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Quantitative analysis of chiral compounds from unresolved peaks in capillary electrophoresis using multivariate calibration with experimental design and artificial neural networks

Cited by 19 publications

References 32 publications

Quantification of analytes in overlapping peaks from capillary electrophoresis using multivariate curve resolution‐alternating least squares methods

Quantification of analytes in overlapping peaks from capillary electrophoresis using multivariate curve resolution‐alternating least squares methods

Pharmaceutical and biomedical applications of chiral capillary electrophoresis and capillary electrochromatography: An update

Resolution of overlapping capillary electrophoresis peaks by using chemometric analysis: Quantification of the components in compound reserpine tablets

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