In this study, the main challenge was to focus on the detection of amphetamine (AN) using a type of magnesium oxide nanotube (MgONT) sensor through density functional theory (DFT) calculations. Nowadays, due to the adverse effects of drug abuse, governments put all their efforts into detecting and managing illegal drugs such as AN. Therefore, the detection of AN in biological specimens is of great importance. In this study, through DFT calculations, the intrinsic sensing properties of MgONT were investigated for the detection of AN. We concluded that the MgONT considerably enhances the reactivity of the MgONT toward AN. Furthermore, the sensing response for the MgONT was 392.36. The results showed that there was a considerable change in the energy levels of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) and there was a drop in the band gap value (E_g). This decrease in the E_g value improved the electrical conductivity. Moreover, desorption of AN from the surface of the MgONT had a slight recovery time (~ 22.89 ms). This work illustrated that MgONT could be considered a proper candidate for electronic sensing and AN drug delivery in biological systems.

在这项研究中，主要挑战是通过密度泛函理论 (DFT) 计算使用一种氧化镁纳米管 (MgONT) 传感器来检测苯丙胺 (AN)。如今，由于药物滥用的不利影响，各国政府都将全力以赴检测和管理AN等非法药物。因此，生物标本中AN的检测具有重要意义。在这项研究中，通过 DFT 计算，研究了 MgONT 的内在传感特性以检测 AN。我们得出结论，MgONT 显着增强了 MgONT 对 AN 的反应性。此外，MgONT 的传感响应为 392.36。_克）。_{E g}值的这种降低改善了电导率。此外，从 MgONT 表面解吸 AN 的恢复时间很短（~ 22.89 ms）。这项工作表明，MgONT 可以被认为是生物系统中电子传感和 AN 药物输送的合适候选者。