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Issue 46, 2010
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Conformations of high-generation dendritic polyelectrolytes

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We perform monomer-resolved computer simulations of high-generation dendritic molecules, varying the amount of charge and the spacer length between subsequent generations. Charged entities (monomers and counterions) are simulated with the explicit Coulomb interaction, employing the Ewald summation technique. We discover considerable stretching of the molecules with increasing generation number and spacer length, whereas the effects of charging are less pronounced on the overall size of the molecule than those of the former two parameters. For large generations and spacer lengths, charging of the molecules leads to both the opening of large voids within the dendrimer and to charge distributions that are nearly uniform along the molecule's extent. These findings suggest both the possible usage of charge dendrimers as efficient encapsulating agents and their character as realizations of model charged colloids with a uniform charge distribution in their interior.

Graphical abstract: Conformations of high-generation dendritic polyelectrolytes

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Publication details

The article was received on 24 May 2010, accepted on 26 Jul 2010 and first published on 27 Aug 2010

Article type: Paper
DOI: 10.1039/C0JM01584A
Citation: J. Mater. Chem., 2010,20, 10486-10494

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    Conformations of high-generation dendritic polyelectrolytes

    S. Huißmann, C. N. Likos and R. Blaak, J. Mater. Chem., 2010, 20, 10486
    DOI: 10.1039/C0JM01584A

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