The computational investigation of the role of pristine and metal-doped BC2N nanotubes for sensitive detection of ciclopirox drug

Even though Ciclopirox (CPX) plays a critical role in the treatment of pancreatic, colorectal, and breast cancers, some side effects are attributable to CPX. Thus, determining the content of CPX in biological specimens is critical. The contribution of CPX to the activity of the intrinsic and Au-decorated BC₂N nanotubes (BC₂NNT) has been analyzed in this research by employing density functional theory estimations. According to the results, the gold decoration resulted in a noticeable improvement in BC₂NNT toward CPX and increased value of BC₂NNT sensing response from 9.3 to 307.1. Furthermore, a short recovery was allowed (approximately 1.12 sec) in order to desorb CPX from the Au@BC₂NNT exterior. The CPX-Au@ BC₂NNT interaction decreased in the aqueous solution, which led to a declined Au@BC₂NNT sensing response from a value of 307.1 to 260.0. However, in accordance with our results, by employing the gold-doping process, one may transform BC₂NNT into an appropriate sensor for CPX.