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Title: Dynamics of polydots: Soft luminescent polymeric nanoparticles

The conformation and dynamics of luminescent polymers collapsed into nanoparticles or polydots were studied using fully atomistic molecular dynamics (MD) simulations, providing a first insight into their internal dynamics. Controlling the conformation and dynamics of confined polymers is essential for realization of the full potential of polydots in nanomedicine and biotechnology. Specifically, the shape and internal dynamics of polydots that consist of highly rigid dialkyl p-phenylene ethynylene (PPE) are probed as a function of temperature. At room temperature, the polydots are spherical without any correlations between the aromatic rings on the PPE backbone. With increasing temperature, they expand and become slightly aspherical; however, the polymers remain confined. The coherent dynamic structure factor reveals that the internal motion of the polymer backbone is arrested, and the side chains dominate the internal dynamics of the polydots. Lastly, these new soft nanoparticles retain their overall shape and dynamics over an extended temperature range, and their conformation is tunable via their degree of expansion.
 [1] ;  [1] ;  [2] ;  [1]
  1. Clemson Univ., SC (United States). Dept. of Chemistry
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 0024-9297; 619645
Grant/Contract Number:
AC04-94AL85000; AC02-05CH11231; CHE 1308298
Accepted Manuscript
Journal Name:
Additional Journal Information:
Journal Volume: 49; Journal Issue: 6; Journal ID: ISSN 0024-9297
American Chemical Society
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Clemson Univ., SC (United States)
Sponsoring Org:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
Country of Publication:
United States