Abstract
As an important problem, Alzheimer disease has resulted in thousands of deaths in the human society. Thus, researches around drug design and drug delivery methods for treating this illness is crucial. The MgB11N12, GeB11N12, GaB11N12, SiB11N12, AlB11N12 and pristine B12N12 clusters were designed to investigate effective modes of transporting memantine (MMT) nanoparticles as anti-Alzheimer agents.The results showed that among all considered heteroatoms, the Germanium, and Gallium atoms have the highest effect on decreasing the Eg of the system albeit by making the B12N12 clusters, a semiconductor-like nanoparticle. Due to these results, GeB11N12 derivate with the Eg of 2.76182 eV, is a suitable semiconductor cluster. Also, after adsorption of MMT, the Ge nanoparticles enhances Eg to 3.32533 eV, resulting in a strong signal. Thus, between all studied clusters, the GeB11N12, is the best choice to be used as a sensor for detection of MMT residues. Additionally, the energy surface data indicated that the SiB11N12 is a suitable nanoparticle for delivering memantine, better than the pristine B12N12 cluster. We hope this work will be useful for future experimental studies about the adsorption and sensing of MMT drug residues.
Published Version
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