Tailoring adsorbents for levodopa detection: a DFT study on Pt-encapsulated fullerene systems

Despite its effectiveness in managing the motor symptoms of Parkinson's disease, levodopa therapy is often accompanied by adverse effects that can significantly reduce patients' quality of life. Hence, the need to detect levodopa has escalated among researchers and health experts. Herein, the intricacies of levodopa adsorption were studied using newly tailored fullerene-based adsorbents. All theoretical calculations were performed using the DFT/PBE1PBE/GENECP level of theory. Having modified the surface by Pt-encapsulation followed by functionalization with a functional group (COOH, HCO, NH