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- W4313420551 endingPage "110326" @default.
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- W4313420551 abstract "In this study, a systematic DFT study is performed to explore the potential application of B36N36 fullerene as a delivery agent for the hydroxyurea (CH4N2O2) and nitrosourea (CH3N3O2) anticancer drugs. Results indicate that both of these drugs interact with boron atoms of the B36N36 fullerene through their oxygen atoms with considerable binding energies in gas and aqueous phases. Furthermore, the M-encapsulated B36N36 fullerenes (M = alkali and alkaline earth metals) are also explored to examine their performances toward the adsorption of HU and NU drugs. The release mechanisms are examined through photochemical mechanism of light-triggered. Results might provide meaningful insights into the development of boron nitride-based nanocarriers in the field of drug delivery." @default.
- W4313420551 created "2023-01-06" @default.
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- W4313420551 date "2023-02-01" @default.
- W4313420551 modified "2023-10-10" @default.
- W4313420551 title "A theoretical perspective on the adsorption performance of pristine and Metal-encapsulated B36N36 fullerenes toward the hydroxyurea and nitrosourea anticancer drugs" @default.
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- W4313420551 doi "https://doi.org/10.1016/j.inoche.2022.110326" @default.
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