Integrated Experimental and Computational Insights into the Systematic Synthesis of Cyclodextrin-based MOF

Area of Science:

• Materials Science
• Green Chemistry
• Supramolecular Chemistry

Background:

• Edible cyclodextrin-based metal-organic frameworks (CD-MOFs) offer a sustainable route for green synthesis.
• Reproducible synthesis of CD-MOFs presents a significant challenge within the MOF community.

Purpose of the Study:

• To investigate the reproducibility of CD-MOF synthesis.
• To explore structural variations influenced by synthesis conditions.
• To optimize CD-MOF preparation for enhanced bioactive molecule adsorption.

Main Methods:

• Controlled methanol vapor diffusion method was employed for synthesis.
• Five independent sample sets, each repeated three times, were used to assess reproducibility.
• Density Functional Theory (DFT) calculations were utilized to confirm reaction thermodynamics.

Main Results:

• Increasing reaction temperature from 25 to 50 °C improved γ-CD-MOF crystallization.
• Optimized conditions yielded uniform cubic crystals with 83% yield.
• Maximum curcumin loading capacity reached 24.6% with an equilibrium uptake of 1.5 mg/g.

Conclusions:

• Reproducible synthesis parameters for γ-CD-MOFs were established.
• γ-CD-MOFs exhibit enhanced curcumin loading and stabilization capabilities.
• These findings highlight the potential of γ-CD-MOFs as efficient carriers for bioactive compounds.