Interactions between Grafted Cationic Dendrimers and Anionic Bilayer Membranes

Abstract

We use polymer self-consistent field theory to study the physics involved in the permeation of charged dendrimer molecules across anionic lipid bilayer membranes. We specifically examine the influence of dendrimer shape deformations, neutral grafts, and pH conditions on the interactions between dendrimers and membranes. Our results indicate that the ability of the dendrimer to undergo conformational rearrangements plays a crucial role in influencing the interactions between the dendrimer and the membrane. At neutral pH, we observe that dendrimers with grafted chains are repelled by the anionic bilayers. However, decreasing the solution pH to endosomal conditions results in attractive dendrimer-membrane interactions under some parametric conditions. We observe that dendrimer insertion into the membrane results in a decreased value in membrane tension at which rupture occurs and, furthermore, that the rupture tension decreases with the addition of grafts to the dendrimer. Our results suggest that dendrimers grafted with neutral polymers can serve as effective pH sensitive delivery vectors.

Adhesion and Separation of Nanoparticles on Polymer-Grafted Porous Substrates

“…Of our particular interest are theoretical studies of the free energy of NP adhesion and sorption by PB and its influence on NP mobility. NP–polymer interactions are complex and involve multiple scales that require theoretical approaches , and computer simulations − on a coarse-grained supramolecular level. Theoretically, NP–polymer interactions were explored using self-consistent field theory (SCFT), ,,− , Brownian dynamics (BD), and dissipative particle dynamics (DPD) simulations.…”

“…NP–polymer interactions are complex and involve multiple scales that require theoretical approaches , and computer simulations − on a coarse-grained supramolecular level. Theoretically, NP–polymer interactions were explored using self-consistent field theory (SCFT), ,,− , Brownian dynamics (BD), and dissipative particle dynamics (DPD) simulations. Milchev et al compared the interactions of NPs with PBs and polymeric solutions.…”

Nature of the effective interaction between dendrimers

“…However, control over the decoration of the nanoparticles into a desired network requires a good understanding of the nature and strength of the interaction between the dendrimers. The structural [27][28][29] and thermodynamic 30,31 properties of dendrimers and the interaction of dendrimers with other molecules [32][33][34][35][36][37][38][39] have been investigated widely. However, there is no clear understanding of the effective interaction between dendrimers at the atomistic level.…”

Investigation of Phloroglucinol Succinic Acid Dendrimer as Antimicrobial Agent against Staphylococcus Aureus, Escherichia Coli and Candida Albicans

“…There are some reviews proposing the application of newly designed dendrimers to act as new antimicrobial targets such as quaternary ammonium functionalized poly(propylene imine) dendrimers [11], lysine dendrimers [12] and glycodendrimers functionalized with carbohydrates [13]. Even though there is more talk about the advantages of cationic dendrimer for anti-microbial studies in literatures, some have made surface modifications to reduce its cytotoxicity which might cause membrane pores due to nonspecific binding to charged lipid bilayer of cellular membranes [7,14]. Barbara et al modified the surface of the PPI dendrimer with maltotriose residues and reported that its genotoxicity has been highly reduced [15].…”