ArticleRSC advances2021
Surface adsorption of nitrosourea on pristine and doped (Al, Ga and In) boron nitride nanosheets as anticancer drug carriers: the DFT and COSMO insights.
Article in RSC advances, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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11 citing papers in PubMed, 52 citations in OpenAlex.
- Comparative DFT investigation of 1T and 2H phase Janus TaSSe monolayers as potential sensors for toxic gas molecules.Scientific reports · 2026Article
- Adsorption and Sensing Behavior of Pristine, P-Doped, and Al-Doped Boron Nitride Nanosheets Toward Toxic Hydrogen Fluoride Gas: Insights from Density Functional Theory Analysis.ChemistryOpen · 2026Article
- DFT and solvent-phase insights into nitrosourea adsorption on AlN, GaN and their in-plane heterostructure (AlN/GaN) nanosheets.RSC advances · 2026Article
- Adsorption of drugs on BRSC advances · 2024Article
- Article
- Phosphorus-doped T-graphene nanocapsule toward OScientific reports · 2024Article
- In silico investigation on sensing of tyramine by boron and silicon doped CScientific reports · 2023Article
- Investigation of the adsorption behavior of the anti-cancer drug hydroxyurea on the graphene, BN, AlN, and GaN nanosheets and their doped structuresRSC advances · 2023Article
- Trivalent and pentavalent atoms doped boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches.Computational & theoretical chemistry · 2022Article
- Exploring the adsorption ability with sensitivity and reactivity of CRSC advances · 2022Article
- Article
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
To minimize the side effects of chemotherapeutic drugs and enhance the effectiveness of cancer treatment, it is necessary to find a suitable drug delivery carrier for anticancer drugs. Recently nanomaterials are extensively being studied as drug vehicles and transport drugs in tumor cells. Using DFT calculations, the adsorption behavior with electronic sensitivity and reactivity of pristine and doped (Al, Ga and In)-BNNS towards the nitrosourea (NU) drug has been investigated in gas as well as water media. Our calculations showed that the NU drug is physically adsorbed on the pristine BNNS with -0.49 and -0.26 eV by transferring little amount of charge of about 0.033
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