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Micellar solid-phase microextraction for determining partition coefficients of substituted polycyclic aromatic hydrocarbons in micellar media: possible prediction of hydrocarbon-micelle behaviour.

Verónica Pino·Ana M Afonso·Juan H Ayala·Venerando González
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Abstract

Micellar solid-phase microextraction (MSPME) coupled to gas chromatography-mass spectrometry (GC-MS) has been used to obtain partition coefficients of a group of 18 substituted aromatic hydrocarbons to ionic and nonionic micelles. Statistical and factor analyses have been utilized to establish some general equations relating molecular descriptors of non-substituted polycyclic aromatic hydrocarbons and their partition coefficients obtained by MSPME. The obtained equations have correlation coefficients higher than 0.94. They are used to predict hydrocarbon-micelle partition coefficients for a group of hydrocarbons with reported literature values giving a correlation coefficient of 0.98 and a standard deviation of the prediction of 0.182. The predictive model was also applied to substituted polycyclic aromatic hydrocarbons with partition coefficient values obtained by MSPME, with a 69% level of success.

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CalibrationMicellesPolycyclic Aromatic HydrocarbonsSensitivity and SpecificitySolid Phase MicroextractionJournal ArticleResearch Support, Non-U.S. Gov't

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Verónica Pino, Ana M Afonso, Juan H Ayala, Venerando González. 2007-01-04. Micellar solid-phase microextraction for determining partition coefficients of substituted polycyclic aromatic hydrocarbons in micellar media: possible prediction of hydrocarbon-micelle behaviour.. https://doi.org/10.1007/s00216-006-1029-6

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