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@ARTICLE{Cors:859412,
      author       = {Cors, Marian and Wiehemeier, Lars and Hertle, Yvonne and
                      Feoktystov, Artem and Cousin, Fabrice and Hellweg, Thomas
                      and Oberdisse, Julian},
      title        = {{D}etermination of {I}nternal {D}ensity {P}rofiles of
                      {S}mart {A}crylamide-{B}ased {M}icrogels by {S}mall-{A}ngle
                      {N}eutron {S}cattering: {A} {M}ultishell {R}everse {M}onte
                      {C}arlo {A}pproach},
      journal      = {Langmuir},
      volume       = {34},
      number       = {50},
      issn         = {1520-5827},
      address      = {Washington, DC},
      publisher    = {ACS Publ.},
      reportid     = {FZJ-2019-00271},
      pages        = {15403 - 15415},
      year         = {2018},
      abstract     = {The internal structure of nanometric microgels in water has
                      been studied as a function of temperature, cross-linker
                      content, and level of deuteration. Small-angle neutron
                      scattering from poly(N-isopropylmethacrylamide) (volume
                      phase transition ≈ 44 °C) microgel particles of radius
                      well below 100 nm in D2O has been measured. The intensities
                      have been analyzed with a combination of polymer chain
                      scattering and form-free radial monomer volume fraction
                      profiles defined over spherical shells, taking
                      polydispersity in size of the particles determined by atomic
                      force microscopy into account. A reverse Monte Carlo
                      optimization using a limited number of parameters was
                      developed to obtain smoothly decaying profiles in agreement
                      with the experimentally scattered intensities. The results
                      are compared to the swelling curve of microgel particles in
                      the temperature range from 15 to 55 °C obtained from photon
                      correlation spectroscopy (PCS). In addition to hydrodynamic
                      radii measured by PCS, our analysis provides direct
                      information about the internal water content and gradients,
                      the strongly varying steepness of the density profile at the
                      particle–water interface, the total spatial extension of
                      the particles, and the visibility of chains. The model has
                      also been applied to a variation of the cross-linker
                      content, N,N′-methylenebisacrylamide, from 5 to 15 mol
                      $\%,$ providing insight on the impact of chain architecture
                      and cross-linking on water uptake and on the definition of
                      the polymer–water interface. The model can easily be
                      generalized to arbitrary monomer contents and types, in
                      particular mixtures of hydrogenated and deuterated species,
                      paving the way to detailed studies of monomer distributions
                      inside more complex microgels, in particular core–shell
                      particles.},
      cin          = {JCNS-FRM-II / JCNS-2},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-2-20110106},
      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)KWS1-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:30421936},
      UT           = {WOS:000454183500034},
      doi          = {10.1021/acs.langmuir.8b03217},
      url          = {https://juser.fz-juelich.de/record/859412},
}