Authors: Verónica Pino Ana M Afonso Juan H Ayala Venerando González
Publish Date: 2007/01/04
Volume: 387, Issue: 6, Pages: 2271-2281
Abstract
Micellar solidphase microextraction MSPME coupled to gas chromatographymass spectrometry GCMS 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 nonsubstituted polycyclic aromatic hydrocarbons and their partition coefficients obtained by MSPME The obtained equations have correlation coefficients higher than 094 They are used to predict hydrocarbon–micelle partition coefficients for a group of hydrocarbons with reported literature values giving a correlation coefficient of 098 and a standard deviation of the prediction of 0182 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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