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DFT investigation on the application of pure and doped X(12)N(12) (X = B and Al) fullerene-like nano-cages toward the adsorption of temozolomide
The sensitivity of pure and doped X(12)N(12) (X = B and Al) fullerene-like nano-cages (FLNs) toward the anti-cancer drug temozolomide (TMZ) is probed herein at DFT/M06-2X-D3/6-311G(d,p) theoretical level in both gas phase and water. A noticeable affinity of the FLNs toward TMZ was observed along wit...
Autores principales: | Ndjopme Wandji, Brice Laure, Tamafo Fouegue, Aymard Didier, Nkungli, Nyiang Kennet, Ntieche, Rahman Abdoul, Wahabou, Abdoul |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8992703/ https://www.ncbi.nlm.nih.gov/pubmed/35401995 http://dx.doi.org/10.1098/rsos.211650 |
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