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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},
}