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Application of regularized alternating least squares and independent component analysis to HPLC-DAD data of Haematococcus pluvialis metabolites

Paper ID Volume ID Publish Year Pages File Format Full-Text
4887 255 2006 8 PDF Available
Title
Application of regularized alternating least squares and independent component analysis to HPLC-DAD data of Haematococcus pluvialis metabolites
Abstract

The analysis of data from analytical equipment will be an important factor in the execution of metabolomics. Self-modeling curve resolution (SMCR) is one of the theoretical techniques of chemometrics and has recently been applied to the data of hyphenated chromatography techniques. Alternating least squares (ALS) is a classical SMCR method. In ALS, however, different solutions are produced depending on randomly chosen initial values. Simulation in the present study showed that the use of a normalized constraint in calculating ALS was effective in avoiding this problem. We also improved the ALS algorithm by adding a regularized term (regularized ALS: RALS). Independent component analysis (ICA) is a comparatively new method and has been discussed very actively by information science researchers, but has still been applied only in very few cases to curve resolution problems in chemometrics studies. We applied RALS with a normalized constraint and ICA to the HPLC-DAD data of Haematococcus pluvialis metabolites and obtained a high accuracy of peak detection, suggesting that these curve resolution methods are useful for identification of metabolites in metabolomics.

Keywords
Metabolomics; Chemometrics; HPLC-DAD; Alternating least squares; Regularized term; Independent component analysis
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Application of regularized alternating least squares and independent component analysis to HPLC-DAD data of Haematococcus pluvialis metabolites
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Publisher
Database: Elsevier - ScienceDirect
Journal: Biochemical Engineering Journal - Volume 32, Issue 3, 1 December 2006, Pages 149–156
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us