Functionalized magnetic covalent organic frameworks with refining tunable cores for highly selective adsorption of immunosuppressive drugs.

Immunosuppressant drugs (ISDs) are widely used in the treatment of organ rejection following human transplantation and in autoimmune diseases. Herein, this study demonstrates that carbonylated covalent organic frameworks (COFs) with pore-matching capabilities can serve as promising interference-resistant adsorbents for the rapid and efficient capture of ISDs (cyclosporin A (CsA), tacrolimus (FK-506), and rapamycin (RPM)) from complex whole blood matrices. Under optimized conditions, MCOF-2-COOH, with a pore size 1.5 times the diameter of the drug molecule, demonstrated superior ISDs adsorption performance, achieving an adsorption capacity of up to 84.95 mg g-1 in 10 min. Instrumental characterization and theoretical calculations elucidated the potential adsorption matrix, revealing that the COF provides multiple forces, including hydrogen bonding, electrostatics, and π-π interactions, with the carboxyl site playing a crucial role. This study provides both a theoretical basis and experimental evidence for the use of COF materials in the selective adsorption of drugs from complex matrices, as well as a strategy for designing functionally customized COFs for drug therapy monitoring applications.