Microwave-assisted synthesis, characterization and modeling of CPO-27-Mg metal-organic framework for drug delivery

Anton I. Kudelin, Konstantinos Papathanasiou, Vera Isaeva, Juergen Caro, Tapio Salmi, Leonid M. Kustov

Research output: Contribution to journalArticleScientificpeer-review

4 Citations (Scopus)

Abstract

The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irradiation. This material exhibits a sufficiently high drug loading towards aspirin (~8% wt.) and paracetamol (~14% wt.). The binding of these two molecules with the inner surface of the metal-organic framework was studied employing the Gaussian and Plane Wave approach of the Density Functional Theory. The structure of CPO-27-Mg persists after the adsorption of aspirin or paracetamol and their desorption energies, being quite high, decrease under solvent conditions.
Original languageEnglish
Article number426
Number of pages9
JournalMolecules
Volume26
Issue number2
DOIs
Publication statusPublished - 15 Jan 2021
MoE publication typeA1 Journal article-refereed

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