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Issue 2, 2005
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Determination of the enantiomeric composition of phenylalanine samples by chemometric analysis of the fluorescence spectra of cyclodextrin guest–host complexes

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Abstract

A novel strategy for determining the enantiomeric composition of phenylalanine samples that combines ordinary fluorescence spectroscopy, guest–host cyclodextrin chemistry, and multivariate regression modeling is investigated. Partial-least-squares regression (PLS-1) models were developed from fluorescence spectral data obtained with a series of samples containing cyclodextrin guest–host complexes of phenylalanine with different known enantiomeric compositions. The regression models were subsequently validated by determining the enantiomeric composition of a set of independently prepared phenylalanine samples. The ability of the models to correctly predict the enantiomeric compositions of future samples was evaluated in terms of the root-mean-square percent relative error (RMS%RE). The RMS%RE in the mol fraction of D-phenylalanine ranged from 1.3% to 3.0% when β-cyclodextrin was used as the host molecule for different guest–host concentrations. The RMS%RE in the mol fraction of D-phenylalanine obtained in a similar validation study conducted with γ-cyclodextrin ranged between 1.8% and 4.0% for different guest–host concentrations. Compared with previous studies done in absorption, fluorescence data were found to be more sensitive and the spectral differences observed as a function of enantiomeric composition were more uniformly spaced, making regression modeling more reliable. As a result, good regression models could be made at lower concentrations than were possible previously when absorption measurements were used.

Graphical abstract: Determination of the enantiomeric composition of phenylalanine samples by chemometric analysis of the fluorescence spectra of cyclodextrin guest–host complexes

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Publication details

The article was received on 14 Apr 2004, accepted on 29 Nov 2004 and first published on 23 Dec 2004


Article type: Paper
DOI: 10.1039/B405478D
Citation: Analyst, 2005,130, 233-241
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    Determination of the enantiomeric composition of phenylalanine samples by chemometric analysis of the fluorescence spectra of cyclodextrin guest–host complexes

    S. O. Fakayode, M. A. Busch, D. J. Bellert and K. W. Busch, Analyst, 2005, 130, 233
    DOI: 10.1039/B405478D

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