pressures of competition have caused enormous changes in the drug discovery process. Progress in molecular biology and the Human Genome Project has contributed to the remarkable advances made in identification of new therapeutic targets. The drug discovery process is rapidly evolving due to the technological developments in target identification along with automation of combinatorial synthesis ...

Pulmonary gas uptake is a function of the blood solubility of a vapor, indicated by the blood/air partition coefficient. We hypothesized that blood lipid compositions are associated with the blood/air partition coefficients of lipophilic toxic vapors such as 1,3-butadiene. Our goal was to investigate cross-sectional and longitudinal relationships of blood triglycerides, total cholesterol, and a...

Optical spectroscopies have been intensively used to determine partition coefficients by a plethora of methodologies. The present review is intended to give detailed and useful information for the determination of partition coefficients and addresses several relevant aspects, namely: (i) definition and calculation of the partition coefficient between aqueous and lipidic phases; (ii) partition c...

For PBPK modeling, partition coefficients between tissues and environmental compartments are required. A simple approach starts with the system blood/air, fat/air, and fat/blood. Employing thermodynamic relationships, one of the three coefficients can be calculated from the other two values. With respect to available human and mammal data, modeling efforts focus on the blood/air and fat/air par...

Considering the environmental damage caused by mercury, evaluating mercury concentrations in four environmental media, namely the atmosphere, water, soil, and sediment, is necessary. Available data on mercury emissions and computational modeling were used for this evaluation. Evaluating the sensitivity of the model for the water-sediment partition coefficient was another objective of this study...