title: Cucurbituril slippage: translation is a complex motion.
abstract: The kinetics of cucurbit[6]uril slippage along a polyaminated axle are highly dependent on even minor sterical alterations of the guest. According to in silico experiments, a plausible threading mechanism includes the deprotonation of the ammoniums prior to slippage, their tunneling through the cavitand as neutral amines, and their reprotonation upon exiting cucurbit[6]uril.
authors.affiliation: Department of Chemistry and Biochemistry, Ohio University, Athens, Ohio 45701, USA.
authors.forename: Xiaoxi
authors.initials: X
authors.lastname: Ling
authors.forename: E Loic
authors.initials: EL
authors.lastname: Samuel
authors.forename: Devin L
authors.initials: DL
authors.lastname: Patchell
authors.forename: Eric
authors.initials: E
authors.lastname: Masson