title: Key roles for chain flexibility in block copolymer membranes that contain pores or make tubes.
abstract: Block copolymer amphiphiles that self-assemble into membranes present robust and functionalizable alternatives to biological assemblies. Coarse-grained molecular dynamics shows that thick bilayers of A-B copolymers accommodate protein-like channels and also tend to regulate transport. This occurs as flexible, hydrophilic A chains insert into the pore and obstruct water entry. A-B-A triblocks that exploit "hairpin" and "straight" conformations also show assembly into novel nanotubules and further highlight the key roles for chain flexibility in biomimetic block copolymer assemblies.
authors.affiliation: Center for Molecular Modeling, Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104, USA.
authors.forename: Goundla
authors.initials: G
authors.lastname: Srinivas
authors.forename: Dennis E
authors.initials: DE
authors.lastname: Discher
authors.forename: Michael L
authors.initials: ML
authors.lastname: Klein
mesh_terms: D003198:Computer Simulation; D004548:Elasticity; D008567:Membranes, Artificial; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D036103:Nanotechnology / Q000379:methods*; D043942:Nanotubes / Q000737:chemistry* / Q000648:ultrastructure*; D044367:Phase Transition; D011108:Polymers / Q000737:chemistry*; D016062:Porosity
chemical_list: D008567:Membranes, Artificial; D011108:Polymers