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Quantitative Analysis of Entacapone Isomers Using Surface-Enhanced Raman Spectroscopy and Partial Least Squares Regression

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Abstract:

Surface-enhanced Raman spectroscopy (SERS) and partial least squares (PLS) regression have been applied for the quantification of entacapone isomers E and Z in solution. Nine mixtures of isomers Z and E in ethanol ranging from 0% to 100% w/w were analyzed, for a total entacapone concentration of 1 × 10−3 mol L−1. Upon deposition onto commercially available Klarite® gold plates, highly intense and reproducible SERS spectra were obtained from the entacapone isomers. Based on the spectral measurements, a two-component PLS model for correlation of predicted and real content of the isomers mixtures was developed. Root-mean-square error of the predicted composition was found to be 8% of isomer Z in the isomers mixture, corresponding to the absolute concentration of 8 × 10−5 mol L−1 of isomer Z in solution.

Keywords: Entacapone; Klarite®; Partial least squares regression; Quantification; Surface-enhanced Raman spectroscopy

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/12-06752

Affiliations: PLIVA Croatia, Teva Pharmaceutical Industries Ltd., Research and Development, Prilaz baruna Filipovića 29, HR-10000 Zagreb, Croatia

Publication date: December 1, 2012

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