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Simultaneous kinetic spectrophotometric determination of five phenolic compounds by reaction with p-aminophenol, using partial least squares data treatment

Miguel de la Guárdia, K. D. Khalaf, B. A. Hasan, Ángel Morales‐Rubio, J. J. Arias, José García-Fraga, Ana I. Jiménez‐Abizanda, Francisco Jiménez Jiménez

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Abstract

A fast and accurate procedure has been developed for the simultaneous determination of resorcinol, m-aminophenol, o-cresol, phenol and m-cresol in waters. The method is based on the reaction between the aforementioned phenolic compounds, at concentration levels of ppm, and 300 ppm of p-aminophenol in 0.05 mol l–1 NaOH and in the presence of 0.004 mol l–1 KIO4. The treatment of absorbance data, between 400 and 700 nm, obtained at interval times of 20 s between 40 and 120 s and 40 s between 120 and 600 s, by means of the use of Partial Least Squares 2 (PLS-2), using the UNSCRAMBLER program, suggested that the use of 7 factors can explain more than 99.5% of the residual variance. The method has been applied to the analysis of synthetic samples, not employed for calibration, and average errors lower than 4% were found.

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What this paper is about

A fast and accurate procedure has been developed for the simultaneous determination of resorcinol, m-aminophenol, o-cresol, phenol and m-cresol in waters. The method is based on the reaction between the aforementioned phenolic compounds, at concentration levels of ppm, and 300 ppm of p-aminophenol in 0.05 mol l–1 NaOH and in the presence of 0.004 mol l–1 KIO4. The treatment of absorbance data, between 400 and 700 nm, obtained at interval times of 20 s between 40 and 120 s and 40 s between 120 and 600 s, by means of the use of Partial Least Squares 2 (PLS-2), using the UNSCRAMBLER program, suggested that the use of 7 factors can explain more than 99.5% of the residual variance. The method has been applied to the analysis of synthetic samples, not employed for calibration, and average errors lower than 4% were found.

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Available abstract

A fast and accurate procedure has been developed for the simultaneous determination of resorcinol, m-aminophenol, o-cresol, phenol and m-cresol in waters. The method is based on the reaction between the aforementioned phenolic compounds, at concentration levels of ppm, and 300 ppm of p-aminophenol in 0.05 mol l–1 NaOH and in the presence of 0.004 mol l–1 KIO4. The treatment of absorbance data, between 400 and 700 nm, obtained at interval times of 20 s between 40 and 120 s and 40 s between 120 and 600 s, by means of the use of Partial Least Squares 2 (PLS-2), using the UNSCRAMBLER program, suggested that the use of 7 factors can explain more than 99.5% of the residual variance. The method has been applied to the analysis of synthetic samples, not employed for calibration, and average errors lower than 4% were found.

Key concepts: Resorcinol, Partial least squares regression, Absorbance, Chemistry, Phenol, Chromatography, Spectrophotometry, Cresol

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Simultaneous kinetic spectrophotometric determination of five phenolic compounds by reaction with p-aminophenol, using partial least squares data treatment — Research Paper | ScholarLens