Wrapping of nanoparticles by membranes

Bahrami, Amir Houshang; Raatz, Michael; Agudo-Canalejo, Jaime; Michel, Raphaël; Curtis, Emily M.; Hall, Carol K.; Gradzielski, Michael; Lipowsky, Reinhard; Weikl, Thomas R.

doi:10.1016/j.cis.2014.02.012

Cited by 205 publications

(216 citation statements)

References 100 publications

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“…In fact, the mean curvature at the tips of the prolate NPs is quite large and the corresponding energy consumption by membrane wrapping is relatively high, which impedes the attachment of the membrane and the subsequent fission of the membrane neck. 64 When another NP is added to the system, the lipid membrane forms a tubular structure to wrap the two NPs, which agrees well with previous theoretical predictions. [43][44][45][46] Adding more NPs to the system does not change the cooperative wrapping manner, but only increases the length of the tubular structure (Fig.…”

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confidence: 80%

Cooperative wrapping of nanoparticles of various sizes and shapes by lipid membranes

et al. 2017

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Understanding the interaction between nanoparticles (NPs) and cell membranes is crucial for the design of NP-based drug delivery systems and for the assessment of the risks exerted by the NPs. Recent experimental and theoretical studies have shown that cell membranes can mediate attraction between NPs and form tubular structures to wrap multiple NPs. However, the cooperative wrapping process is still not well understood, and the shape effect of NPs is not considered. In this article, we use largescale coarse-grained molecular dynamics (CGMD) simulations to study the cooperative wrapping of NPs when a varying number of NPs adhered to the membrane. Spherical, prolate and oblate NPs of different sizes are considered in this study. We find that, in addition to tubular structures, the membrane can form a pocket-like and a handle-like structure to wrap multiple NPs depending on the size and shape of the NPs. Furthermore, we find that NPs can mediate membrane hemifusion or fusion during this process.Our findings provide new insights into the interaction of NPs with the cell membrane.

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confidence: 80%

Cooperative wrapping of nanoparticles of various sizes and shapes by lipid membranes

et al. 2017

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“…(3) and modifications thereof have been found to capture the basic experimental phenomenology of bilayer-protein interactions in a wide range of experimental systems [4-11, 24-28, 31, 38-47, 81-83, 88-97], only involve parameters which can be measured directly in experiments, and are simple enough to allow analytic solutions. Analogous models have been formulated [7,48] to describe protein-induced curvature deformations [49][50][51][52][53][54][55][56][57][58][59][60][61][62][63][64] and fluctuation-mediated interactions [49,[61][62][63][64][65][66][67][68]. In general, thickness-, curvature-, and fluctuation-mediated interactions all contribute to bilayer-mediated interactions between integral membrane proteins, but the relative strengths of these interactions depend on the specific experimental system under consideration.…”

Section: Discussionmentioning

confidence: 99%

“…(3) and the corresponding "zeroth-order" models [49][50][51][52][53][54][55][56][57][58][59][60][61][62][63][64][65][66][67][68] capturing curvature-and fluctuation-mediated protein interactions absorb the molecular details of lipids and membrane proteins into effective material parameters. To provide a more detailed description of bilayer-protein interactions, a number of extensions and refinements of these models have been developed [44,45,[69][70][71][72][73][74][75][76][77][78][79][80][81][82][83][84][85][86].…”

Section: Discussionmentioning

confidence: 99%

“…According to this classic theory, membrane proteins may, in addition to thickness-mediated interactions [31,[39][40][41][42][43][44][45][46][47], also interact [7,48] via bilayer curvature deformations [49][50][51][52][53][54][55][56][57][58][59][60][61][62][63][64] and bilayer fluctuations [49,[61][62][63][64][65][66][67][68]. While the competition between thickness-, curvature-, and fluctuation-mediated protein interactions depends on the properties of the specific lipids and membrane proteins under consideration, one generally expects [7,31] that thickness-mediated protein interactions are strong and short-ranged, and that curvature-and fluctuation-mediated protein interactions are weak and long-ranged.…”

Section: Introductionmentioning

confidence: 99%

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Bilayer-thickness-mediated interactions between integral membrane proteins

et al. 2016

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Hydrophobic thickness mismatch between integral membrane proteins and the surrounding lipid bilayer can produce lipid bilayer thickness deformations. Experiment and theory have shown that protein-induced lipid bilayer thickness deformations can yield energetically favorable bilayermediated interactions between integral membrane proteins, and large-scale organization of integral membrane proteins into protein clusters in cell membranes. Within the continuum elasticity theory of membranes, the energy cost of protein-induced bilayer thickness deformations can be captured by considering compression/expansion of the bilayer hydrophobic core, membrane tension, and bilayer bending, resulting in biharmonic equilibrium equations describing the shape of lipid bilayers for a given set of bilayer-protein boundary conditions. Here we develop a combined analytic and numerical methodology for the solution of the equilibrium elastic equations associated with protein-induced lipid bilayer deformations. Our methodology allows accurate prediction of thickness-mediated protein interactions for arbitrary protein symmetries at arbitrary protein separations and relative orientations. We provide exact analytic solutions for cylindrical integral membrane proteins with constant and varying hydrophobic thickness, and develop perturbative analytic solutions for noncylindrical protein shapes. We complement these analytic solutions, and assess their accuracy, by developing both finite element and finite difference numerical solution schemes. We provide error estimates of our numerical solution schemes and systematically assess their convergence properties. Taken together, the work presented here puts into place an analytic and numerical framework which allows calculation of bilayer-mediated elastic interactions between integral membrane proteins for the complicated protein shapes suggested by structural biology and at the small protein separations most relevant for the crowded membrane environments provided by living cells.

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“…Triangulated-surface models developed by Gompper and Kroll [67][68][69] , and Noguchi and Gompper 70,71 follow such an approach, and instead of relying on pairwise orientation-dependent potentials, uses angle-bending potentials between neighboring triangles to directly reproduce the curvature elasticity in a discretized model. Bahrami et al used a similar model to study interaction of nanoparticles with membranes 72,73 and formation of membrane tubules 74 . Atilgan and Sun also incorporated the effect of transmembrane proteins into a triangulated model 75 .…”

Section: Introductionmentioning

confidence: 99%

Particle-based membrane model for mesoscopic simulation of cellular dynamics

Sadeghi

Weikl

Noé

2018

The Journal of Chemical Physics

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We present a simple and computationally efficient coarse-grained and solvent-free model for simulating lipid bilayer membranes. In order to be used in concert with particle-based reaction-diffusion simulations, the model is purely based on interacting and reacting particles, each representing a coarse patch of a lipid monolayer. Particle interactions include nearest-neighbor bond-stretching and angle-bending, and are parameterized so as to reproduce the local membrane mechanics given by the Helfrich energy density over a range of relevant curvatures. In-plane fluidity is implemented with Monte Carlo bond-flipping moves. The physical accuracy of the model is verified by five tests: (i) Power spectrum analysis of equilibrium thermal undulations is used to verify that the particle-based representation correctly captures the dynamics predicted by the continuum model of fluid membranes. (ii) It is verified that the input bending stiffness, against which the potential parameters are optimized, is accurately recovered. (iii) Isothermal area compressibility modulus of the membrane is calculated and is shown to be tunable to reproduce available values for different lipid bilayers, independent of the bending rigidity. (iv) Simulation of two-dimensional shear flow under a gravity force is employed to measure the effective in-plane viscosity of the membrane model, and show the possibility of modeling membranes with specified viscosities. (v) Interaction of the bilayer membrane with a spherical nanoparticle is modeled as a test case for large membrane deformations and budding involved in cellular processes such as endocytosis. The results are shown to coincide well with the predicted behavior of continuum models, and the membrane model successfully mimics the expected budding behavior. We expect our model to be of high practical usability for ultra coarse-grained molecular dynamics or particle-based reaction-diffusion simulations of biological systems.

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Wrapping of nanoparticles by membranes

Cited by 205 publications

References 100 publications

Cooperative wrapping of nanoparticles of various sizes and shapes by lipid membranes

Cooperative wrapping of nanoparticles of various sizes and shapes by lipid membranes

Bilayer-thickness-mediated interactions between integral membrane proteins

Particle-based membrane model for mesoscopic simulation of cellular dynamics

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