New insights on the self-organization of PEG/alpha-cyclodextrin- based Polyrotaxanes in solution: an experimental and theoretical study Articles uri icon

authors

  • PE√ĎA BAHAMONDE, JANIRE
  • ATENCIA FRIAS, JOSE JOAQUIN
  • POZUELO DE DIEGO, JAVIER
  • TARAZONA, MARIA PILAR
  • MENDICUTI MADRID, FRANCISCO

publication date

  • October 2013

start page

  • 2802

end page

  • 2812

issue

  • 24

volume

  • 214

International Standard Serial Number (ISSN)

  • 1521-3935

Electronic International Standard Serial Number (EISSN)

  • 1022-1352

abstract

  • 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)/alfa-cyclodextrins (alfaCDs) 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 inter¬≠molecular interactions and forces responsible for hairpins and aggregation are investigated.

keywords

  • fluorescence; molecular dynamics; poly(ethylene glycol) (peg); polyrotaxane; size exclusion chromatography