Abstract
Biofouling is a pervasive problem which demands the creation of smart, antifouling surfaces. Towards this end, we examine the interactions between a dipalmitoylphosphatidylcholine (DPPC) lipid bilayer and a polyamidoamine (PAMAM) dendron-grafted surface. In addition, we investigate the impact of dendron generation on the system behavior. To resolve the multiscale dynamical processes occurring over a large spatial scale, we employ Molecular Dynamics simulations with a coarse-grained implicit solvent force field. Our results demonstrate the transient and equilibrium system dynamics to be determined by the PAMAM dendron generation along with the underlying mechanisms. Higher generation dendrons are observed to favor penetration of the DPPC molecules into the dendron branches, thereby enabling sustained interactions between the membrane and the dendron-grafted surface. Under equilibrium, the membrane adopts a bowl-shaped morphology whose dimensions are determined by the dendron generation and density of interactions. The results from our study can be used to guide the design of novel surfaces with selective antifouling properties which can prevent the adsorption of microorganisms onto lipid membranes.
Highlights
IntroductionBiofouling presents risks in a wide range of situations including the industrial production of medical devices,[1,2,3] food packaging and storage safety,[4,5,6,7] and the operation of medical implants and under water equipment.[8,9,10,11,12] interest in the development of new antifouling materials and coatings which deter the interfacial adsorption of proteins, bacteria or other organisms onto surfaces has continued to surge during the past decades.[9,13] Experimental studies have shown that polymer brushes gra ed onto supporting substrates are well suited for the purpose.[14,15,16,17,18,19] For example, poly(amidoamine) (PAMAM)based dendritic surfactant polymers have been successful as antifouling materials by diminishing the adhesion of platelets onto a hydrophobic substrate by over 90%.20 The dendritic polymers were adsorbed onto the substrate
The DPPC membrane diffused towards the PAMAM dendron-gra ed surface to develop interactions that spanned the remaining simulation interval (Fig. 2(a))
We studied the mechanisms underlying the interactions between a DPPC membrane and a PAMAM dendron-gra ed surface using the molecular dynamics (MD) technique and a coarse-grained implicit solvent model
Summary
Biofouling presents risks in a wide range of situations including the industrial production of medical devices,[1,2,3] food packaging and storage safety,[4,5,6,7] and the operation of medical implants and under water equipment.[8,9,10,11,12] interest in the development of new antifouling materials and coatings which deter the interfacial adsorption of proteins, bacteria or other organisms onto surfaces has continued to surge during the past decades.[9,13] Experimental studies have shown that polymer brushes gra ed onto supporting substrates are well suited for the purpose.[14,15,16,17,18,19] For example, poly(amidoamine) (PAMAM)based dendritic surfactant polymers have been successful as antifouling materials by diminishing the adhesion of platelets onto a hydrophobic substrate by over 90%.20 The dendritic polymers were adsorbed onto the substrate. The dendritic polymers were adsorbed onto the substrate Both experimental[21,22,23,24,25] and computational[26,27,28,29,30,31] studies have demonstrated PAMAM dendrimers[32,33] to interact with and penetrate lipid membranes. The protonation level of PAMAM dendrimers was determined to in uence their interactions with cell membranes.[28] Where as PAMAM dendrons with carboxylate terminal groups have been gra ed onto silica substrate to protect it against the adsorption of heavy metal ions,[36] similar surfaces have yet to be explored for their antifouling properties. The interactions between PAMAM dendron-gra ed surface and lipid bilayers has not been investigated
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