These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
BES_MIL100Modulator_07Aug20-ChemRxiv.pdf (2.03 MB)

Drug Guest Molecules as Modulators During One-Step Mechanochemical Encapsulation in MIL-100 (Fe) Framework

submitted on 09.08.2020, 11:39 and posted on 10.08.2020, 12:59 by Barbara Souza, Annika Moslein, Kirill Titov, James D. Taylor, Svemir Rudic, Jin-Chong Tan

We propose a facile one-pot mechanochemical strategy for the encapsulation of drug guest molecules (e.g. 5‑fluorouracil, caffeine, and aspirin) in MIL-100 (Fe) as the porous host framework. We reveal the modulating effect of 5-FU and caffeine, giving highly crystalline MIL‑100 (Fe), whereas aspirin led to the formation of an amorphous MOF phase. Inelastic neutron scattering (INS) was used to probe the intermolecular interactions underpinning the drug@MIL‑100 assemblies, where strong guest-host interaction was achieved via this eco-friendly approach.


Minas Gerais Research Foundation (FAPEMIG CNPJ n21.949.888/0001-83)

Engineering and Physical Sciences Research Council (EPSRC) Grant No. EP/ N014960/1

European Research Council (ERC) Consolidator Grant under Grant Agreement 771575 (PROMOFS)


Email Address of Submitting Author


University of Oxford


United Kingdom

ORCID For Submitting Author

Declaration of Conflict of Interest

No conflict of interests