Abstract
We explored the reactivity, and electronic sensitivity of the synthesized B12N12 nanocluster to cisplatin (CP) anticancer drug by means of density functional theory calculations. It is predicted that the drug prefers to be adsorbed simultaneously from its hydrogen and halogen atoms on a BN bond of the BN nanocluster with adsorption energy about −14.9kcal/mol. The electronic properties of B12N12 nanocluster are predicted to be sensitive to the CP drug and it benefits from a short recovery time about 81ms at room temperature. After the adsorption of the CP drug, the conduction level of BN nanocluster meaningfully stabilizes and the valence level shifts to higher energies. As a result, the HOMO-LUMO energy gap significantly decreases. So, the BN nanocluster converts to a semiconductor with higher electrical conductivity after the adsorption process. The increase of electrical conductivity can produce an electrical signal which helps to detect the CP drug. Also, UV–vis calculations indicate that after the adsorption of the CP drug a strong peak appears in the visible region which helps to detect the drug.
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.
