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@ARTICLE{Mariani:808425,
      author       = {Mariani, Giacomo and Moldenhauer, Daniel and Schweins, Ralf
                      and Gröhn, Franziska},
      title        = {{E}lucidating {E}lectrostatic {S}elf-{A}ssembly:
                      {M}olecular {P}arameters as {K}ey to {T}hermodynamics and
                      {N}anoparticle {S}hape},
      journal      = {Journal of the American Chemical Society},
      volume       = {138},
      number       = {4},
      issn         = {1520-5126},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2016-02248},
      pages        = {1280 - 1293},
      year         = {2016},
      abstract     = {The rational design of supramolecular nanoparticles by
                      self-assembly is a crucial field of research due to the wide
                      applications and the possibility of control through external
                      triggers. Understanding the shape-determining factors is the
                      key for tailoring nanoparticles with desired properties.
                      Here, we show how the thermodynamics of the interaction
                      control the shape of the nanoparticle. We highlight the
                      connection between the molecular structure of building
                      blocks, the interaction strength, and the nanoassembly
                      shape. Nanoparticles are prepared by electrostatic
                      self-assembly of cationic polyelectrolyte dendrimers of
                      different generations and oppositely charged multivalent
                      organic dyes relying on the combination of electrostatic and
                      π–π interactions. Different building blocks have been
                      used to vary interaction strength, geometric constraints,
                      and charge ratio, providing insights into the assembly
                      process. The nanoassembly structure has been characterized
                      using atomic force microscopy, static light scattering,
                      small angle neutron scattering, and UV–vis spectroscopy.
                      We show that the isotropy/anisotropy of the nanoassemblies
                      is related to the dye valency. Isothermal titration
                      calorimetry has been used to investigate both dye–dye and
                      dye–dendrimer interaction. The existence of a threshold
                      value in entropy and enthalpy change separating isotropic
                      and anisotropic shapes for both interactions has been
                      demonstrated. The effects of the dye molecular structure on
                      the interaction thermodynamics and therefore on the
                      nanoparticle structure have been revealed using molecular
                      modeling. The polar surface area of the dye molecule takes a
                      key role in the dye self-interaction. This study opens the
                      possibility for a priori shape determination knowing the
                      building blocks structure and their interactions.},
      cin          = {JCNS-FRM-II},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218},
      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:000369558000032},
      pubmed       = {pmid:26641538},
      doi          = {10.1021/jacs.5b11497},
      url          = {https://juser.fz-juelich.de/record/808425},
}