| Autor: |
Malaspina DC; Institut de Ciencia de Materials de Barcelona, ICMAB-CSIC, Campus de la UAB, E- 08193, Bellaterra, Spain. clara@icmab.es., Teixidor F; Institut de Ciencia de Materials de Barcelona, ICMAB-CSIC, Campus de la UAB, E- 08193, Bellaterra, Spain. clara@icmab.es., Viñas C; Institut de Ciencia de Materials de Barcelona, ICMAB-CSIC, Campus de la UAB, E- 08193, Bellaterra, Spain. clara@icmab.es., Faraudo J; Institut de Ciencia de Materials de Barcelona, ICMAB-CSIC, Campus de la UAB, E- 08193, Bellaterra, Spain. clara@icmab.es. |
| Abstrakt: |
Experimental results show that the presence of a concentration gradient of certain nano-ions (most notably cobaltabisdicarbollide ([ o -COSAN] - anions), induce a current across intact artificial phospholipid bilayers in spite of the high Born free energy estimated for these ions. The mechanism underlying this observed translocation of nano-anions across membranes has yet to be determined. Here we show, using molecular dynamics simulations, that the permeation of [ o -COSAN] - anions across a lipid bilayer proceeds in a cooperative manner. Single nano-ions can enter the bilayer but permeation is hampered by a free energy barrier of about 8k B T . The interaction between these nano-ions inside a leaflet induces a flip-flop translocation mechanism with the formation of transient, elongated structure inside the membrane. This cooperative flip-flop allows an efficient distribution of [ o -COSAN] - anions in both leaflets of the bilayer. These results suggest the existence of a new mechanism for permeation of nano-ions across lipid membranes, relevant for those that have the appropriate self-assembly character. |
