From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations

Mosé Casalegno, Guido Raos, Guido Sello
2016 Physical Chemistry, Chemical Physics - PCCP  
Molecular dynamics simulations indicate that dioxin likely accumulates in cell membranes more than its congeners (anthracene, tetrahydrodioxin, 3,3′,5,5′-tetrachlorobiphenyl, and 1,2-dihydroxytetrahydrodibenzo-p-dioxin).
doi:10.1039/c6cp01728b pmid:27314876 fatcat:6hhwie5hgjdwxa54iqfxtvvqbi