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<p></p><p>The behavior of some BC<sub>10</sub>N-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 BC<sub>10</sub>N is the most suitable carrier. Moreover, the data of the energy gaps as well as the electrical conductivity indicate that the SiBC<sub>10</sub>N nanosheet is the best semiconducting sensor for detection of carmustine. Conversely, PBC<sub>10</sub>N and AlBC<sub>10</sub>N nanosheets could not be used as carmustine sensors.</p>

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A systematic theoretical approach on using some heteroatom-decorated BC10N nanosheets for drug delivery of carmustine

  • 期刊论文

  • 发表日期：

    2025年8月1日

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  • Ali Ghalibafi,
  • Parvaneh Pakravan

摘要

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.