Journal
JOURNAL OF CHROMATOGRAPHY A
Volume 1158, Issue 1-2, Pages 94-110Publisher
ELSEVIER
DOI: 10.1016/j.chroma.2007.04.047
Keywords
chromatography; n-way calibration; parallel factor analysis; multivariate curve resolution; capability of detection; routine analysis
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Chemometric techniques for calibration with three-way signals are sufficiently developed for their use in routine analysis. The advantage of the second order property (the possibility of quantifying an analyte in the presence of interferents) together with the guarantee of the uniqueness of the decomposition, what means to extract the signal corresponding only to the analyte of interest, make these calibration techniques especially useful for the quantification and identification of analytes in complex samples. This has a particular interest in the identification and quantification of banned substances or substances with a specified maximum limit. The paper describes the theory of the calibration methodology in relation to the signal order and then focuses the analysis on the three-way techniques commonly used in calibration: n-way partial least squares, multivariate curve resolution and parallel factor analysis. The figures of merit needed for the accreditation of analytical methods are analyzed from the viewpoint of n-way calibrations in chromatography. (c) 2007 Elsevier B.V. All rights reserved.
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