Molecular dynamics—coarse grained to the level of hydrophobic and hydrophilic interactions—shows that small hydrophobic graphene sheets pierce through the phospholipid membrane and navigate the double layer, intermediate size sheets pierce the membrane only if a suitable geometric orientation is met, and larger sheets lie mainly flat on the top of the bilayer where they wreak havoc with the membrane and create a patch of upturned phospholipids. The effect arises in order to maximize the interaction between hydrophobic moieties and is quantitatively explained in terms of flip-flops by the analysis of the simulations. Possible severe biological consequences are discussed.

Graphene Can Wreak Havoc with Cell Membranes / Dallavalle M; Calvaresi M; Bottoni A; Melle-Franco M; Zerbetto F. - In: ACS APPLIED MATERIALS & INTERFACES. - ISSN 1944-8244. - STAMPA. - 7:7(2015), pp. 4406-4414. [10.1021/am508938u]

Graphene Can Wreak Havoc with Cell Membranes

CALVARESI, MATTEO;BOTTONI, ANDREA;ZERBETTO, FRANCESCO
2015

Abstract

Molecular dynamics—coarse grained to the level of hydrophobic and hydrophilic interactions—shows that small hydrophobic graphene sheets pierce through the phospholipid membrane and navigate the double layer, intermediate size sheets pierce the membrane only if a suitable geometric orientation is met, and larger sheets lie mainly flat on the top of the bilayer where they wreak havoc with the membrane and create a patch of upturned phospholipids. The effect arises in order to maximize the interaction between hydrophobic moieties and is quantitatively explained in terms of flip-flops by the analysis of the simulations. Possible severe biological consequences are discussed.
2015
Graphene Can Wreak Havoc with Cell Membranes / Dallavalle M; Calvaresi M; Bottoni A; Melle-Franco M; Zerbetto F. - In: ACS APPLIED MATERIALS & INTERFACES. - ISSN 1944-8244. - STAMPA. - 7:7(2015), pp. 4406-4414. [10.1021/am508938u]
Dallavalle M; Calvaresi M; Bottoni A; Melle-Franco M; Zerbetto F
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/500575
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