Functional group effects on mephedrone adsorption in UiO-66-type metal-organic frameworks

Area of Science:

• Materials Science
• Nanotechnology
• Pharmacology

Background:

• Designing materials to interact with small organic molecules is crucial for addressing psychoactive substance effects.
• Metal-organic frameworks (MOFs) offer tunable properties for selective molecular interactions.

Purpose of the Study:

• To investigate how functional groups on UiO-66 MOFs influence their interaction with mephedrone (4-MMC).
• To evaluate the potential of these modified MOFs for mitigating 4-MMC toxicity.

Main Methods:

• Synthesis of UiO-66 MOFs with various linker substituents (e.g., sulfonic acid, amino groups).
• Adsorption studies in different media (aqueous and physiological-like).
• Electronic-structure calculations to understand host-guest interactions.
• Biological evaluations in cell models and zebrafish larvae.

Main Results:

• Functional groups significantly altered MOF performance based on medium polarity and acidity.
• Sulfonic acid-functionalized MOFs excelled in aqueous solutions, while amino-functionalized MOFs were effective in physiological-like conditions.
• Electronic structure analysis revealed stable host-guest interactions driven by charge-related forces.
• Modified MOFs showed low toxicity and attenuated 4-MMC-induced harmful effects, with amino-functionalized MOFs offering the most protection.

Conclusions:

• Rational modification of UiO-66 linkers can control the uptake and bioavailability of 4-MMC.
• These functionalized MOFs hold potential for developing novel detoxification strategies against synthetic cathinones.