Cluster analysis of the dermal permeability and stratum corneum/solvent partitioning of ten chemicals in twenty-four chemical mixtures in porcine skin

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dc.contributor.author van der Merwe, Deon
dc.contributor.author Riviere, Jim E.
dc.date.accessioned 2009-10-20T19:46:47Z
dc.date.available 2009-10-20T19:46:47Z
dc.date.issued 2009-10-20T19:46:47Z
dc.identifier.uri http://hdl.handle.net/2097/1906
dc.description.abstract Assumptions based on absorption from single solvent systems may be inappropriate for risk assessment when chemical mixtures are involved. We used K-means and hierarchical cluster analyses to identify clusters in stratum corneum partitioning and porcine skin permeability datasets that are distinct from each other based on mathematical indices of similarity and dissimilarity. Twenty four solvent systems consisting of combinations of water, ethanol, propylene glycol, methyl nicotinate and sodium lauryl sulphate were used with 10 solutes, including phenol, pnitrophenol, pentachlorophenol, methyl parathion, ethyl parathion, chlorpyrifos, fenthion, simazine, atrazine and propazine. Identifying the relationships between solvent systems that have similar effects on dermal absorption formed the bases for hypotheses generation. The determining influence of solvent polarity on the partitioning data structure supported the hypothesis that solvent polarity drives the partitioning of non-polar solutes. Solvent polarity could not be used to predict permeability because solvent effects on diffusivity masked the effects of partitioning on permeability. The consistent influence of the inclusion of propylene glycol in the solvent system supports the hypothesis that over saturation due to solvent evaporation has a marked effect on permeability. These results demonstrated the potential of using cluster analysis of large datasets to identify consistent solvent and chemical mixture effects. en_US
dc.relation.uri http://content.karger.com/ProdukteDB/produkte.asp?Aktion=Ausgabe&Ausgabe=231950&ProduktNr=224194 en_US
dc.rights Copyright 2005 S. Karger AG, Basel. This paper was published as: Cluster Analysis of the Dermal Permeability and Stratum Corneum/Solvent Partitioning of Ten Chemicals in Twenty-Four Chemical Mixtures in Porcine Skin. van der Merwe, D. ; Riviere, J.E. Skin Pharmacol Physiol 2006;19:198-206. en_US
dc.subject Cluster analysis en_US
dc.subject Hierarchical clustering en_US
dc.subject K-means clustering en_US
dc.subject Chemical mixtures en_US
dc.subject Skin permeability en_US
dc.subject Dermal absorption en_US
dc.subject Stratum corneum partitioning en_US
dc.subject Water en_US
dc.subject Ethanol en_US
dc.subject Propylene glycol en_US
dc.subject Phenol en_US
dc.subject p-nitrophenol en_US
dc.subject Pentachlorophenol en_US
dc.subject Methyl parathion en_US
dc.subject Ethyl parathion en_US
dc.subject Chlorpyrifos en_US
dc.subject Fenthion en_US
dc.subject Simazine en_US
dc.subject Atrazine en_US
dc.subject Propazine en_US
dc.title Cluster analysis of the dermal permeability and stratum corneum/solvent partitioning of ten chemicals in twenty-four chemical mixtures in porcine skin en_US
dc.type Article (author version) en_US
dc.date.published 2006 en_US
dc.citation.doi DOI:10.1159/000093115 en_US
dc.citation.epage 206 en_US
dc.citation.issue 4 en_US
dc.citation.jtitle Skin Pharmacology and Physiology en_US
dc.citation.spage 198 en_US
dc.citation.volume 19 en_US
dc.contributor.authoreid dmerwe en_US

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