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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Acknowledgements
Verónica Pino would like to thank the Spanish Ministry of Education and Science (Spain) the “Juan de la Cierva” contract with the University of La Laguna.
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Pino, V., Afonso, A.M., Ayala, J.H. et al. Micellar solid-phase microextraction for determining partition coefficients of substituted polycyclic aromatic hydrocarbons in micellar media: possible prediction of hydrocarbon–micelle behaviour. Anal Bioanal Chem 387, 2271–2281 (2007). https://doi.org/10.1007/s00216-006-1029-6
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DOI: https://doi.org/10.1007/s00216-006-1029-6