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@ARTICLE{GonzlezBurgos:844251,
author = {González-Burgos, Marina and Arbe, Arantxa and Moreno,
Angel J. and Pomposo, José A. and Radulescu, Aurel and
Colmenero, Juan},
title = {{C}rowding the {E}nvironment of {S}ingle-{C}hain
{N}anoparticles: {A} {C}ombined {S}tudy by {SANS} and
{S}imulations},
journal = {Macromolecules},
volume = {51},
number = {4},
issn = {1520-5835},
address = {Washington, DC},
publisher = {Soc.},
reportid = {FZJ-2018-01692},
pages = {1573 - 1585},
year = {2018},
abstract = {We present an investigation by combining small-angle
neutron scattering (SANS) and coarse-grained molecular
dynamics (MD) simulations on the conformational properties
of single-chain nanoparticles (SCNPs) in crowded
macromolecular solutions. By using linear chains as
crowders, SANS shows a crossover from almost unperturbed
SCNP conformations in dilute conditions toward a continuous
collapse of the macromolecule with increasing crowding. This
collapse starts when the total concentration of the solution
reaches the value of the overlap concentration of the pure
SCNP solutions. MD simulations suggest the generalizability
of these experimental findings and extend them to the case
when the SCNPs themselves are used as crowders—a situation
which in real systems leads to unavoidable formation of
aggregates, as shown here by SANS and DLS. Exploiting the
simulations, we have calculated the contact probability and
the distance between monomers as functions of the contour
distance between them; the results suggest that crumpled
globular conformations are generally adopted by SCNPs in
crowded macromolecular solutions. In the case of linear
crowders, the SCNPs show, at fixed monomer concentration, a
nonmonotonic dependence of their collapse on the length of
the crowders.},
cin = {JCNS (München) ; Jülich Centre for Neutron Science JCNS
(München) ; JCNS-FRM-II / Neutronenstreuung ; JCNS-1},
ddc = {540},
cid = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
I:(DE-Juel1)JCNS-1-20110106},
pnm = {6G15 - FRM II / MLZ (POF3-6G15) / 6G4 - Jülich Centre for
Neutron Research (JCNS) (POF3-623)},
pid = {G:(DE-HGF)POF3-6G15 / G:(DE-HGF)POF3-6G4},
experiment = {EXP:(DE-MLZ)KWS2-20140101},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000426618500034},
doi = {10.1021/acs.macromol.7b02438},
url = {https://juser.fz-juelich.de/record/844251},
}