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Predicting cutaneous permeability of biocides using LSER approach.

Vijay-V; Barlow-BM; Yeatts-JL; Baynes-RE
Toxicologist 2007 Mar; 96(1):432
The permeation of a chemical through skin is influenced by its physico-chemical characteristics and the biological characteristics of the skin. In predicting dermal absorption, scientists have proposed different mathematical models to correlate physico-chemical (especially solvatochromatic parameters) and biological interactions occurring in the process of permeation. Previous studies have shown that hydrophobicity, polarity, molecular volume and hydrogen bonding capability of chemicals are among the most important characteristics to be used for predicting permeability. The aim of this study is to predict dermal absorption of different biocides (with wide range of Kow) using modified Linear Solvation Energy Relationship (LSER) approach, with a calibrated flow through diffusion system. Infinite doses of biocides belonging to five different classes; phenols, morpholines, oxazolidines, isothiazolines and triazines in aqueous solutions were applied to porcine skin flow through diffusion cells. These perfusates were analyzed by GCMS and HPLC to determine skin permeability. The system coefficients (r, s, a, b, v) of a calibrated set of solutes of the system were determined from multiple linear regression analysis and plugged into the LSER equation to predict permeability values for the several biocides. Our preliminary data with 2 phenols; o-phenylphenol and p-chloro-o-cresol, have shown that the predicted permeability values were very close to observed values, demonstrating that our calibrated system can efficiently predict permeability of biocides. In further studies, the permeability of biocides will be determined in various solvents and commercially available metalworking fluids, so to assess the behavior of biocides in mixtures and to determine the solvatochromatic parameter that has the most prominent effect in predicting permeability.
Cell-alteration; Cell-damage; Cellular-reactions; Cell-biology; Cell-function; Cell-metabolism; Oxidation; Oxidative-metabolism; Oxidative-processes; Skin-absorption; Skin-diseases; Skin-disorders; Skin-exposure; Skin-irritants; Skin-sensitivity; Dermatitis; Dermatosis; Mathematical-models; Statistical-analysis
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Disease and Injury: Allergic and Irritant Dermatitis
Source Name
The Toxicologist. Society of Toxicology 46th Annual Meeting and ToxExpo, March 25-29, 2007, Charlotte, North Carolina
Performing Organization
North Carolina State University, Raleigh, North Carolina