Rational design of B, Ge, Mg, and Si-decorated Al₁₂N₁₂ nanocages from composite density functional theory insight: toward efficient memantine nanocarrier design for Alzheimer’s therapy
Authors:
- Untung GunawanUGUntung Gunawan
- Bilah NabilahBNBilah Nabilah
- Tety SudiartiTSTety Sudiarti
- Abdur Rahman ArifAAAbdur Rahman Arif
- Fazriah UlpahFUFazriah Ulpah
- Belia Putri SalsabilaBSBelia Putri Salsabila
- Ken Ayu Windy WahyuningsihKWKen Ayu Windy Wahyuningsih
- Atthar Luqman IvansyahAIAtthar Luqman Ivansyah
Open Access
- 8 June 2026
- journal article
- Published by Elsevier in South African Journal of Chemical Engineering
- Vol. 57
Abstract
No abstract availableFunding Information
- Lembaga Pengelola Dana Pendidikan
This publication has 39 references indexed in Scilit:
- Density Functional Theory (DFT) and Time‐Dependent DFT (TDDFT) Studies of Porphyrin Adsorption on Graphene: Insights on the Effect of Substituents and Central Metal on Adsorption EnergiesJournal of Computational Chemistry, 2024
- A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocagesComputational and Theoretical Chemistry, 2024
- Li-decorated B12C6N6 hybrid nanocage for sensing Cl2, COCl2, H2S and NH3 gas moleculesColloids and Surfaces A: Physicochemical and Engineering Aspects, 2024
- A theoretical investigation on MgB11N12, GeB11N12, GaB11N12, SiB11N12, AlB11N12, and pristine B12N12 clusters for sensing Memantine and its drug delivery for Alzheimer’s diseaseComputational and Theoretical Chemistry, 2024
- Exploring the Binding Characteristics of Phosphomolybdic Acid with CH3X (X= F, Cl, and Br) via DFT CalculationsJournal of Cluster Science, 2024
- Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systemsJournal of Computational Chemistry, 2022
- Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions**Chemistry–Methods, 2021
- Extended tight‐binding quantum chemistry methodsWIREs Computational Molecular Science, 2020
- Multiwfn: A multifunctional wavefunction analyzerJournal of Computational Chemistry, 2011
- VMD: Visual molecular dynamicsJournal of Molecular Graphics, 1996