In silico insights into the adsorption and detection of dimethyltryptamine on metal doped C20 fullerene
Scientific Reports July 22, 2026 Abdulrahman Sumayli, Saad M. Alshahrani, Jawaher Abdullah Alamoudi
Abstract Given the psychoactive effects of dimethyltryptamine (DMT), classified as a Schedule I drug, developing diagnostic methods is essential. In this computational study, we investigate the adsorption and sensing behavior of DMT on pristine C 20 fullerene and its beryllium (Be), magnesium (Mg), and calcium (Ca) doped derivatives using density functional theory (DFT), time-dependent DFT...