Abstract
Drawing on DFT calculations, the interaction between the cathinone drug (CA) and the bare B24N24 nanocage was examined in order to find a nanosensor of CA. The results suggested physisorption (−1.23 to −4.53 kcal/mol) and chemisorption (−12.88 to −25.11 kcal/mol). The electrical conductivity of the B24N24 nanocage considerably increased. Thus, it could be used to generate electronic noise in the presence of the drug. Drug adsorption influenced the Fermi levels and work functions of the most stable complex systems to some extent. As a result, the B24N24 nanocage is argued to be a Φ–type sensor that can detect the CA drug. The recovery process was estimated to be completed in 0.2 s. Moreover, BN nanocages would need no expensive structural manipulation as such nanocages were sensitive enough. The UV-Vis spectra showed a post-adsorption transmission wavelength upshift at 316.78 nm. Hence, a redshift took place when the drug molecules were close to the nanocage. Due to their electronic and structural characteristics, BN nanocages were found to be efficient and effective sensors to detect CA.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
