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New Insights on the Self‐Organization of PEG/α‐Cyclodextrin‐Based Polyrotaxanes in Solution: An Experimental and Theoretical Study
Author(s) -
PeñaBahamonde Janire,
Atencia José Joaquín,
Pozuelo Javier,
Tarazona María Pilar,
Mendicuti Francisco
Publication year - 2013
Publication title -
macromolecular chemistry and physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.57
H-Index - 112
eISSN - 1521-3935
pISSN - 1022-1352
DOI - 10.1002/macp.201300370
Subject(s) - dynamic light scattering , ethylene glycol , peg ratio , chemistry , cyclodextrin , size exclusion chromatography , fluorescence , polymer chemistry , molecular dynamics , dimethyl sulfoxide , static light scattering , light scattering , chemical engineering , scattering , nanoparticle , materials science , nanotechnology , chromatography , organic chemistry , computational chemistry , physics , finance , quantum mechanics , engineering , optics , economics , enzyme
Size exclusion chromatography coupled with light scattering (SEC/MALS), dynamic light scattering (DLS), steady‐state and time‐resolved fluorescence, as well as molecular dynamics (MD) simulations are used to study the behavior of several poly(ethylene glycol) (PEG)/α‐cyclodextrins (αCDs) polyrotaxanes (PRs) in solution. The number of CD units in any of the PRs studied is always smaller than that required to saturate the PEG chains. These PRs seem to aggregate in dimethyl sulfoxide (DMSO) solution. The presence of hairpins in the non‐saturated PRs contributes to diminishing their expected large dimensions. Intra‐ and intermolecular interactions and forces responsible for hairpins and aggregation are investigated.