Lim, Jongdoo and Pavan, Giovanni Maria and Annunziata, Onofrio and Simanek, Eric E (2012) Experimental and computational evidence for an inversion in guest capacity in high-generation triazine dendrimer hosts. Journal of the American Chemical Society, 134 (4). pp. 1942-1945. ISSN 0002-7863
Full text not available from this repository.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.
| Item Type: | Scientific journal article, Newspaper article or Magazine article |
|---|---|
| Subjects: | Physical sciences > Chemistry |
| Depositing User: | Giovanni Maria Pavan |
| Date Deposited: | 23 Aug 2016 07:19 |
| Last Modified: | 23 Aug 2016 07:19 |
| URI: | http://repository.supsi.ch/id/eprint/7619 |
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