What question did this study set out to answer?

The study aims to optimize the functionalization of AlN nanotubes for effective drug delivery.

March 14, 2026Journal of Materials Chemistry B2 citations

Tailored Surface Functionalization of AlN Nanotubes for 5-Fluorouracil Adsorption and Encapsulation: A First-Principles and Molecular Dynamics Study

AVAbinaya V.SRM Institute of Science and Technology JSJ. SivasankarSRM Institute of Science and Technology JSJ. SnehaSRM Institute of Science and Technology

Key Points

The study aims to optimize the functionalization of AlN nanotubes for effective drug delivery.
Utilized molecular dynamics simulations to evaluate the adsorption of 5-fluorouracil.
Analyzed the effects of surface functionalization using sorbic acid on drug encapsulation.
Conducted a first-principles approach to assess biocompatibility and efficiency.
Demonstrated enhanced adsorption capacity of 5-fluorouracil when using functionalized AlN nanotubes.
Showed significant improvements in drug encapsulation efficiency with sorbic acid functionalization.

Abstract

The rational design of biocompatible nanocarriers is essential for improving the efficacy and safety of anticancer therapeutics. Aluminum nitride nanotubes (AlNNTs) functionalized with biologically relevant sorbic acid (SA), butyric acid...

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