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

Affiliation auteurs!!!! Error affiliation !!!!
TitreImpact of surface state on polyethylene glycol conformation confined inside a nanopore
Type de publicationJournal Article
Year of Publication2021
AuteursArroyo N, Balme S, Picaud F
JournalJOURNAL OF CHEMICAL PHYSICS
Volume154
Pagination104901
Date PublishedMAR 14
Type of ArticleArticle
ISSN0021-9606
Résumé

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.

DOI10.1063/5.0040170