Nitrogen dioxide solubility and permeation in lipid membranes

► Nitrogen dioxide (NO2) is an important oxidant molecule in biology. ► An in silico approach was used to estimate the solubility of NO2 in lipid membranes not experimentally accessible. ► A partition coefficient of 1.5 (membrane/water) was estimated, indicating NO2 is moderately hydrophobic. ► A membrane permeability coefficient of 5 cm s-1 was estimated, up to 4000 times higher than peroxynitrous acid. ► Lipid membranes are not significant barriers to NO2 transport.