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Theoretical Investigation of Drug Delivery of Cimetidine as Drug of Coronavirus Disease by Silicon Nanotubes and Silicon Nanocages
With growth the Coronavirus disease the proposing and delivery of effective drugs is an important challenge in world. Here, potential and ability of Mn-doped nanostructures to transfer of Cimetidine are examined by computational models. The ΔG adsorption and recovery time for interactions of Cimetid...
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Published in: | SILICON 2024-04, Vol.16 (6), p.2349-2355 |
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Main Authors: | , , , , , , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites |
Online Access: | Get full text |
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Summary: | With growth the Coronavirus disease the proposing and delivery of effective drugs is an important challenge in world. Here, potential and ability of Mn-doped nanostructures to transfer of Cimetidine are examined by computational models. The ΔG
adsorption
and recovery time for interactions of Cimetidine with Mn-doped nanostructures are calculated by computational models. The Mn adoption of nanostructures are increased the E
cohesive
values and so Mn-doped nanostructures have the more negative E
cohesive
values than nanostructures. The E
adsorption
for Cimetidine-Mn-doped nanostructures in possible positions are valuable and negative values. The E
adsorption
of Mn-BNNT (8, 0) to Cimetidine adsorption are higher than other nanostructures. The nanotubes have more negative E
adsorption
than Mn-B
36
N
36
and Mn-Si
72
to Cimetidine adsorption. The nanotubes have higher ΔG
adsorption
to Cimetidine than nanocages. The water is increased the capacity of Mn-doped nanostructures to deliver the Cimetidine. Finally, based on calculated E
adsorption
and ΔG
adsorption
it can be concluded the Mn-doped nanostructures have high capacity to Cimetidine delivery. |
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ISSN: | 1876-990X 1876-9918 |
DOI: | 10.1007/s12633-023-02841-5 |