Computer assisted modeling of ethyl sulfate pharmacokinetics

Abstract For 12 volunteers of a drinking experiment the concentration–time-courses of ethyl sulfate (EtS) and ethanol were simulated and fitted to the experimental data. The concentration–time-courses were described with the same mathematical model as previously used for ethyl glucuronide (EtG). The kinetic model based on the following assumptions and simplifications: a velocity constant kform for the first order formation of ethyl sulfate from ethanol and an exponential elimination constant kel . The mean values (and standard deviations) obtained for kform and kel were 0.00052 h−1 (0.00014) and 0.561 h−1 (0.131), respectively. Using the ranges of these parameters it is possible to calculate minimum and maximum serum concentrations of EtS based on stated ethanol doses and drinking times. The comparison of calculated and measured concentrations can prove the plausibility of alleged ethanol consumption and add evidence to the retrospective calculation of ethanol concentrations based on EtG concentrations.