Scope and efficacy of the broad-spectrum topical antiseptic choline geranate
Fig 7
CAGE migration over time within leaflets of the membrane bilayer.
Snapshots from the symmetric bilayer simulation with the CAGE components colored according to the leaflet they begin in. Panel A depicts an early production configuration, which shows geranate anions are highlighted in the top leaflet in blue and in the bottom leaflet in red and panel C shows the final configuration after 130 ns of simulation with anions all remaining within the leaflet that they begin. Similarly, panels B and D show geranic acid molecules at the beginning (panel B) and the end (panel D) after 130 ns of the production phase. The yellow and green molecules indicate molecules that begin in the upper (yellow) or lower (green) leaflets. The geranic acid is found to more freely traverse across the bilayer and randomize during our simulation as indicated by the yellow and green molecules randomizing at the end of the production phase.