Measurement and assurance

Redmill, Felix; Dale, Chris

doi:10.1007/978-1-4471-0939-6_4

Cited by 1 publication

(1 citation statement)

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“…12 The literature, in particular aided by molecular dynamics (MD) simulation, has established that the hydrophobicity of graphitic materials is a significant driving force in terms of their interactions with lipid membranes. For example, MD simulation calculations of the free energy of C60 buckyballs penetrating phospholipid membranes revealed a strong energetic driving force (~20 kcal/mol) for insertion into the membrane; 18 this hydrophobic driving force was seen to increase by a factor ~2 as the C60 adopts a more planar geometry (e.g., an open-shell buckyball, intermediate between a sphere and a flat sheet). 19 This strong hydrophobic interaction has been directly related to membrane disruption in other studies.…”

Section: Introductionmentioning

confidence: 99%

Influence of Single-Stranded DNA Coatings on the Interaction between Graphene Nanoflakes and Lipid Bilayers

Moore¹,

Yang²,

Ogungbesan

et al. 2019

J. Phys. Chem. B

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Using molecular dynamics simulations, it is demonstrated that a partial coating of single-stranded DNA (ssDNA) reduces the penetration depth of a graphene nanoflake (GNF) into a phospholipid bilayer by attenuating the hydrophobic force that drives the penetration. As the GNF penetrates the bilayer, the ssDNA remains adsorbed to the GNF outside of the bilayer, where it shields the graphene from the surrounding water. The penetration depth is found to be controlled by the amount of ssDNA coating the GNF, with a sparser coating resulting in a deeper penetration since the ssDNA shields less of the GNF surface. As the coating density is increased, the likelihood of the GNF entering the bilayer is reduced, where it instead tends to lie flat on the bilayer surface with the sugar phosphate backbone of ssDNA interacting with the hydrophilic lipid headgroups. While no bilayer disruption is observed for a partially inserted ssDNA-coated GNF, a larger, bare, partially inserted GNF is found to preferentially extract phospholipids from the bilayer, offering further evidence of lipid extraction as a main cytotoxicity mechanism of GNFs. Therefore, a coating of ssDNA may reduce the cytotoxicity of GNFs by shielding the unfavorable graphenewater interaction, thus preventing graphene penetration and lipid extraction.

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Section: Introductionmentioning

confidence: 99%