PBPK modeling of complex hydrocarbon mixtures: gasoline

摘要: Petroleum hydrocarbon mixtures such as gasoline, diesel fuel, aviation and asphalt liquids typically contain hundreds of compounds. These compounds include aliphatic aromatic hydrocarbons within a specific molecular weight range sometimes lesser amounts additives, often exhibit qualitatively similar pharmacokinetic (PK) pharmacodynamic properties. However, there are some components that biological effects, methyl t-butyl ether benzene in gasoline. One the potential interactions many is inhibition metabolism other components. Due to complexity mixtures, quantitative description pharmacokinetics each component, particularly context differing blends these has not been available. We describe here physiologically-based (PBPK) modeling approach PKs whole The simplifies problem by isolating for which desired treating remaining single lumped chemical. In this manner, effect non-isolated (i.e. inhibition) can be taken into account. gasoline model was based on PK data chemicals, simple isolated chemicals during gas uptake experiments rats exposed While sacrifice accuracy must made when chemical lumping used, our still permitted good representation five (n-hexane, benzene, toluene, ethylbenzene, o-xylene) exposure various levels two different may applicable appropriate available development.