A SYSTEMATIC THEORETICAL APPROACH ON USING SOME HETEROATOM-DECORATED BC<sub>10</sub>N NANOSHEETS FOR DRUG DELIVERY OF CARMUSTINE

Authors

  • Ali Ghalibafi Department of Chemistry, Zanjan Branch, Islamic Azad University, Zanjan
  • Parvaneh Pakravan Department of Chemistry, Zanjan Branch, Islamic Azad University, Zanjan https://orcid.org/0000-0002-6823-3914

Keywords:

adsorbent, carmustine, nanosheet, DFT insight, sensor

Abstract

The behavior of some BC10N-derived nanosheets with regard to adsorption and delivering of anticancer agent carmustine has been simulated with the purpose of choosing a suitable carrier for controlled delivery of the drug to the targeted cancerous tissues. The outcomes of the adsorption energy computations reveal that the parent structure BC10N is the most suitable carrier. Moreover, the data of the energy gaps as well as the electrical conductivity indicate that the SiBC10N nanosheet is the best semiconducting sensor for detection of carmustine. Conversely, PBC10N and AlBC10N nanosheets could not be used as carmustine sensors.

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Published

2025-11-13

Issue

Vol. 61 No. 7/8 (2025): Synthesis and transformations of heterocycles via pseudocyclic reactions

Section

Original Papers