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@ARTICLE{Schmiele:155631,
      author       = {Schmiele, Martin and Schindler, Torben and Westermann,
                      Martin and Steiniger, Frank and Radulescu, Aurel and Kriele,
                      Armin and Gilles, Ralph and Unruh, Tobias},
      title        = {{M}esoscopic {S}tructures of {T}riglyceride
                      {N}anosuspensions {S}tudied by {S}mall-{A}ngle {X}-ray and
                      {N}eutron {S}cattering and {C}omputer {S}imulations},
      journal      = {The journal of physical chemistry / B},
      volume       = {118},
      number       = {29},
      issn         = {1520-5207},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {FZJ-2014-04689},
      pages        = {8808 - 8818},
      year         = {2014},
      abstract     = {Aqueous suspensions of platelet-like shaped tripalmitin
                      nanocrystals are studied here at high tripalmitin
                      concentrations (10 wt $\%$ tripalmitin) for the first time
                      by a combination of small-angle X-ray and neutron scattering
                      (SAXS and SANS). The suspensions are stabilized by different
                      lecithins, namely, DLPC, DOPC, and the lecithin blend S100.
                      At such high concentrations the platelets start to
                      self-assemble in stacks, which causes interference maxima at
                      low Q-values in the SAXS and SANS patterns, respectively. It
                      is found that the stack-related interference maxima are more
                      pronounced for the suspension stabilized with DOPC and in
                      particular DLPC, compared to suspensions stabilized by S100.
                      By use of the X-ray and neutron powder pattern simulation
                      analysis (XNPPSA), the SAXS and SANS patterns of the native
                      tripalmitin suspensions could only be reproduced
                      simultaneously when assuming the presence of both isolated
                      nanocrystals and stacks of nanocrystals of different size in
                      the simulation model of the dispersions. By a fit of the
                      simulated SAXS and SANS patterns to the experimental data, a
                      distribution of the stack sizes and their volume fractions
                      is determined. The volume fraction of stacklike platelet
                      assemblies is found to rise from $70\%$ for S100-stabilized
                      suspensions to almost $100\%$ for the DLPC-stabilized
                      suspensions. The distribution of the platelet thicknesses
                      could be determined with molecular resolution from a
                      combined analysis of the SAXS and SANS patterns of the
                      corresponding diluted tripalmitin (3 wt $\%)$ suspensions.
                      In accordance with microcalorimetric data, it could be
                      concluded that the platelets in the suspensions stabilized
                      with DOPC, and in particular DLPC, are significantly thinner
                      than those stabilized with S100. The DLPC-stabilized
                      suspensions exhibit a significantly narrower platelet
                      thickness distribution compared to DOPC- and S100-stabilized
                      suspensions. The smaller thicknesses for the DLPC- and
                      DOPC-stabilized platelets explain their higher tendency to
                      self-assemble in stacks. The finding that the nanoparticles
                      of the suspension stabilized by the saturated lecithin DLPC
                      crystallize in the stable β-tripalmitin modification with
                      its characteristic platelet-like shape is surprising and can
                      be explained by the fact that the main phase transformation
                      temperature for DLPC is, as for unsaturated lecithins like
                      DOPC and S100, well below the crystallization temperature of
                      the supercooled tripalmitin emulsion droplets.},
      cin          = {Neutronenstreuung ; JCNS-1 / JCNS (München) ; Jülich
                      Centre for Neutron Science JCNS (München) ; JCNS-FRM-II /
                      ICS-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)JCNS-1-20110106 /
                      I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)ICS-1-20110106},
      pnm          = {451 - Soft Matter Composites (POF2-451) / 54G - JCNS
                      (POF2-54G24)},
      pid          = {G:(DE-HGF)POF2-451 / G:(DE-HGF)POF2-54G24},
      experiment   = {EXP:(DE-MLZ)KWS2-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000339540600038},
      doi          = {10.1021/jp502580a},
      url          = {https://juser.fz-juelich.de/record/155631},
}