Modeling the Thermodynamics of the Interaction of Nanoparticles with Cell Membranes

Abstract

Interactions between nanoparticles and cell membranes may play a crucial role in determining the cytotoxicity of nanoparticles as well as their potential application as drug delivery vehicles or therapeutic agents. It has been shown that such interactions are often determined not by biochemical but by physicochemical factors (e.g., nanoparticle size, hydrophobicity, and surface charge density). Here, we propose a mesoscale thermodynamic model describing the transitions in membrane morphology observed after exposure to various types of nanoparticles. Our simulations demonstrate under which conditions (determined by particle size and hydrophilic/hydrophobic interactions) the particles can adsorb into the membrane or compromise the membrane integrity to result in the formation of nanosized holes. The model could be refined to include a more accurate description of various phospholipid membranes, and its results could be applied in the design of specific nanoparticles for various biomedical applications.

Effects of magnetic cobalt ferrite nanoparticles on biological and artificial lipid membranes

“…20 Third, changes in local membrane curvature followed by wrapping of NPs and their agglomerates may lead to lipid depletion from the bilayer, and thus altered membrane integrity and/ or formation of pores or holes. 16,22,[53][54][55][56][61][62][63][64] In the case of GUVs, we propose that the most likely mechanism causing GUVs to burst is adhesion of CAadsorbed CoFe 2 O 4 NPs and smaller NP agglomerates onto membranes, resulting in alteration of the global membrane curvature and, finally, bursting. The POPC lipids used in our study have an externally situated lipid polar head (the trimethylammonium group) that is positively charged and faces the aqueous glucose solution.…”

Interaction of lipid vesicle with silver nanoparticle-serum albumin protein corona

“…Uptake of nanoparticles is thought-as agreed upon by a majority of the research community-to be realized via the energy-dependent biological process of endocytosis, in addition to passive diffusion and mechanical or biochemical damage in the lipid membrane induced by the trespassing nanoparticle. 1 However, despite intensive research efforts, both experimentally [11][12][13][14][15][16][17][18][19][20] and through atomistic and coarsegrained computer simulations, [21][22][23][24][25] it remains unclear and often controversial as to what extent the thermodynamic and endocytotic pathways may individually contribute to the convoluted process of nanoparticle cell uptake.…”

Physicochemical and biological properties of self-assembled antisense/poly(amidoamine) dendrimer nanoparticles: the effect of dendrimer generation and charge ratio

“…Recently, many articles have proved the formation of holes at the lipid bilayer model membrane and cell surface membrane following exposure to even non-cytotoxic concentrations of cationic nanoparticles and specially PAMAM dendrimers. [42][43][44][45] These transient pores, which form quickly (within micro-to milliseconds), 42 exist long enough that even large nanoparticles (such as PAMAM/ANS nanoparticles) can easily enter the cells. Obviously, higher charge ratios have more impact on the cell membrane, because the probability of the interaction of the dendrimers with the membrane will increase.…”