Dynamics of polydots: Soft luminescent polymeric nanoparticles

Maskey, Sabina; Osti, Naresh C.; Grest, Gary S.; Perahia, Dvora

doi:10.1021/acs.macromol.5b02776

Title: Dynamics of polydots: Soft luminescent polymeric nanoparticles

Journal Article · Fri Mar 04 00:00:00 EST 2016 · Macromolecules

DOI:https://doi.org/10.1021/acs.macromol.5b02776· OSTI ID:1241374

Maskey, Sabina ^[1]; Osti, Naresh C. ^[1]; Grest, Gary S. ^[2]; Perahia, Dvora ^[1]

Clemson Univ., SC (United States). Dept. of Chemistry
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

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. 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.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Clemson Univ., SC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: AC04-94AL85000; AC02-05CH11231; CHE 1308298

OSTI ID:: 1241374

Alternate ID(s):: OSTI ID: 1361287

Report Number(s):: SAND-2016-1870J; 619645

Journal Information:: Macromolecules, Vol. 49, Issue 6; ISSN 0024-9297

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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