Microwave-Assisted Synthesis, Characterization and Modeling of CPO-27-Mg Metal-Organic Framework for Drug Delivery

Area of Science:

• Materials Science
• Computational Chemistry
• Drug Delivery

Background:

• Metal-organic frameworks (MOFs) are porous materials with potential applications in drug delivery.
• CPO-27-Mg is a specific MOF known for its stability and tunable properties.

Purpose of the Study:

• To investigate the rapid synthesis of CPO-27-Mg using microwave irradiation.
• To evaluate the drug loading capacity of CPO-27-Mg for aspirin and paracetamol.
• To computationally study the adsorption mechanism of these drugs within the MOF.

Main Methods:

• Microwave-assisted synthesis for rapid CPO-27-Mg preparation.
• Gravimetric analysis to determine drug loading percentages.
• Density Functional Theory (DFT) calculations using Gaussian and Plane Wave methods to model drug-MOF interactions.

Main Results:

• CPO-27-Mg was synthesized efficiently via microwave irradiation.
• High drug loading achieved: ~8% wt. for aspirin and ~14% wt. for paracetamol.
• DFT calculations confirmed the stability of the CPO-27-Mg structure post-adsorption and revealed high desorption energies, which are reduced in solvent conditions.

Conclusions:

• Microwave synthesis offers a rapid route to CPO-27-Mg.
• CPO-27-Mg demonstrates promising drug loading capabilities for aspirin and paracetamol.
• The MOF structure remains intact, and drug binding is strong, suggesting potential for controlled release applications.