| 초록 |
Due to high mobility and specific toxic actions of the ionizable pharmaceuticals in surface waters with a normal range of pH, the pharmaceuticals should be removed before being released into the aqueous environments. This study investigates adsorptive interaction of cationic pharmaceuticals and a popular sorbent activated charcoal. To describe the sorption behaviors, simple prediction models were developed based on quantitative structural and chemical properties including molecular weight, polar surface area, and octanol-water partitioning coefficient. In result, combinations of the three quantitative structural properties can predict the affinity and maximum uptake in R2 of 0.85 and 0.80, respectively. For internally validating the models, leave-one-out cross-validation (Q2LOO) was performed in 0.60 and 0.56 for the affinity and maximum uptake, respectively. Moreover, the sorption capacity of activated charcoal increased with octanol-water partitioning coefficient and polar surface area of pharmaceuticals, indicating that activated charcoal can be used for effective removal of hydrophobic pharmaceuticals with high polar surface area. |
