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Updated: May 25, 2026

Preparation and In Vitro Characterization of Dendrimer-based Contrast Agents for Magnetic Resonance Imaging
Published on: December 4, 2016
Experimental and computational evidence for an inversion in guest capacity in high-generation triazine dendrimer
Jongdoo Lim1, Giovanni M Pavan, Onofrio Annunziata
1Department of Chemistry, Texas Christian University, Fort Worth, Texas 76129, USA.
Abstract:
The synthesis, characterization, and host-guest chemistry of high-generation triazine dendrimers are described. With pyrene and camptothecin as guests, experiments revealed that the guest capacity of odd-generation triazine dendrimers increased until generation 7 but decreased at generation 9. Molecular dynamics simulations conducted in explicit solvent showed a useful fingerprint for this behavior in radial distribution functions of water molecules penetrating the interior of the dendrimers. A linear relationship between the guest capacity of dendrimers measured experimentally and the number of water molecules within the interior determined computationally was observed.
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