Determination of tissue to blood partition coefficients for nonvolatile herbicides, insecticides, and fungicides using negligible depletion solid-phase microextraction (nd-SPME) and ultrafiltration.

Partition coefficients (PCs) are used in physiologically based pharmacokinetic (PBPK) models to estimate the free concentration of a chemical in specific blood or organs. Biological PC(tissue:blood) (tissue to blood) values were determined for a series of nonvolatile herbicides, insecticides, and fungicides in liver, brain, skin, fat, kidneys, and muscle of male Sprague-Dawley rats using two different analytical methods. The free phase concentration (in phosphate-buffered saline) of a given chemical was measured in the presence and absence of tissue (including blood) and used to calculate the PC, defined as the ratio of the concentration of the chemical in saline to the concentration in the tissue. PCs were determined for 13 compounds with aqueous solubility ranging from 20 to 4100 mg/L, molecular weights from 187.3 to 342.2 g/mol, and log K (ow) values from -0.18 to 3.9. An ultrafiltration high-performance liquid chromatography (HPLC) method was implemented for compounds with log K (ow) near 0.1 or less and a negligible depletion solid-phase microextraction (nd-SPME) method for compounds with higher log K (ow). PC(tissue:saline) coefficients of variation were 0.13 (n = 3 compounds) on average for the HPLC method and 0.29 (n = 10 compounds) for the nd-SPME method. Presented here is one of the most comprehensive data sets of biological partition coefficients for herbicides, insecticides, and fungicides.