Design Principles for Nanoparticles Enveloped by a Polymer-Tethered Lipid Membrane

Abstract

We propose the design for a nanoparticle carrier that combines three existing motifs into a single construct: a liposome is stabilized by anchoring it to an enclosed solid core via extended polymeric tethers that are chemically grafted to the core and physisorb into the surrounding lipid membrane. Such a design would exhibit several enticing properties, among them: (i) the anchoring stabilizes the liposome against a variety of external stresses, while preserving an aqueous compartment between core and membrane; (ii) the interplay of design parameters such as polymer length or grafting density enforces strong constraints on nanoparticle size and hence ensures a high degree of uniformity; and (iii) the physical and chemical characteristics of the individual constituents equip the construct with numerous functionalities that can be exploited in many ways. However, navigating the large parameter space requires a sound prior understanding for how various design features work together, and how this impacts potential pathways for synthesizing and assembling these nanoparticles. In this paper, we examine these connections in detail, using both soft matter theory and computer simulations at all levels of resolution. We thereby derive strong constraints on the experimentally relevant parameter space, and also propose potential equilibrium and nonequilibrium pathways for nanoparticle assembly.

Osmotic stress and pore nucleation in charged biological nanoshells and capsids

“…There are many examples in nature of spontaneous self-assembly of nanoparticles that give rise to large-scale layers of closed sheet-like structures such as cages, membranes, connecting channels [1], cavities, and closed pores. These topological structures have a convenient ability to enclose and hold part of the surrounding material inside them [2][3][4][5][6][7]. The molecular forces that drive the self-assembly and control the stability of such enclosing surfaces are very sensitive to specific environmental conditions such as solvent quality, temperature, concentration, pH, shape and size of small constituents (e. g., building blocks), the presence of dissolved charged groups, among others [8][9][10][11][12][13].…”

Lipid Corona Formation from Nanoparticle Interactions with Bilayers

“…20 Some precedent for lipid corona formation from cellular bilayer membranes exists in the budding of viruses, which do not possess the machinery to produce their own lipids but instead use charged patches on proteins for sheathing their RNA with a membrane scavenged from the host cell membranes. 21,22 Likewise, computer simulations indicate that coronas of certain lipids may be stable on certain particles, [23][24][25] but the roles of specific functionalization patterns or charge remain poorly understood. 26 The Bigger Picture Engineered nanoparticles hold not only promise for technological innovation but also possible unforeseen risks for organisms upon inadvertent release into the environment.…”

Liposome Drug Delivery System across Endothelial Plasma Membrane: Role of Distance between Endothelial Cells and Blood Flow Rate

“…These interactions can be evaluated using coarse-grained molecular dynamics (CGMD) simulations. Recent investigations using the MARTINI force field revealed the patterns of interactions between different nanoparticles and lipid membranes [37][38][39][40][41][42][43]. Molecular modeling approaches have shown to be a valuable tool for the nano-bio interface, providing qualitative results in good agreement with experiments [35,[44][45][46][47].…”