Abstract
Micellar solid-phase microextraction (MSPME) is an analytical method that allows the obtaining of analytes-micelles partition coefficients. Statistical and factor analysis have been used to establish some general equations relating molecular descriptors of phenols to micelle partition coefficients obtained by MSPME coupled to GC-MS. The results show that the descriptors octanol-water partition coefficients (log K OW ) and molecular connectivity indexes (χ) gave good regression models with correlation coefficients greater than 0.81. These equations are used to explore the interactions of different phenolic compounds in micellar media, as well as to predict analytes-micelles partition coefficients with a standard deviation error of prediction of 0.160. The agreement between the observed and the predicted partition coefficients values is also evaluated, allowing the prediction of the behaviour of these solutes in MSPME.
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Pino, V., Conde, F.J., Ayala, J.H. et al. Correlations Between Phenols-Micelles Partition Coefficients and Several Molecular Descriptors. An Approach to Predict the Phenols Behaviour in MSPME. Chroma 63, 167–174 (2006). https://doi.org/10.1365/s10337-005-0709-2
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DOI: https://doi.org/10.1365/s10337-005-0709-2