6533b822fe1ef96bd127cc5d

RESEARCH PRODUCT

Impact of surface state on polyethylene glycol conformation confined inside a nanopore.

Nicolas ArroyoSebastien BalmeFabien Picaud

subject

chemistry.chemical_classificationSurface (mathematics)Materials science010304 chemical physicsFoulingtechnology industry and agricultureGeneral Physics and AstronomySalt (chemistry)Polyethylene glycol010402 general chemistryGrafting01 natural sciences0104 chemical sciencesMolecular dynamicsNanoporechemistry.chemical_compoundChemical engineeringchemistry0103 physical sciencesPEG ratioPhysical and Theoretical Chemistry

description

Solid-state nanopores are a promising platform for characterizing proteins. In order to improve their lifetime and prevent fouling, Polyethylene Glycol (PEG) grafting is one of the most efficient and low-cost solutions. Different models to calculate the PEG thickness do not consider their interaction with the nanopore inner surface nor the effect of confinement. Here, we investigate by molecular dynamic simulation the PEG conformation inside a nanopore in the case of hydrophobic and hydrophilic nanopores. Our results reveal that the nanopore inner surface plays a role in the PEG organization and, thus, in the speed of the salt constituent. The resulting pair interaction between PEG and its environment clearly shows a more important affinity for K+ compared to Li+ cations.

10.1063/5.0040170https://pubmed.ncbi.nlm.nih.gov/33722042