Mehrdad Aghaei

Adsorption of Celecoxib on B12N12 fullerene: Spectroscopic and DFT/TD-DFT study

Nafiseh Abdolahi, Mehrdad Aghaei, Alireza Soltani et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2018 · 77 citations

Chemical Engineering, Engineering, Nanomaterials +10

Gold decorated B12N12 nanocluster as an effective sulfasalazine drug carrier: A theoretical investigation

Nafiseh Abdolahi, Preeti Singla, Alireza Soltani et al. · Physica E Low-dimensional Systems and Nanostructures · 2020 · 67 citations

Nanomedicine, Medicinal Chemistry, Engineering +10

Serine adsorption through different functionalities on the B12N12 and Pt-B12N12 nanocages

Alireza Soltani, Mohammad Ramezani Taghartapeh, Vahid Erfani‐Moghadam et al. · Materials Science and Engineering C · 2018 · 61 citations

Chemical Engineering, Serine Adsorption, Engineering +10

Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis, ADMET and molecular docking study

Yan Cao, Afrasyab Khan, Hanzaleh Balakheyli et al. · Arabian Journal of Chemistry · 2021 · 47 citations · Full text

Engineering, Combined Dft Analysis, Immunology +23

Predicting adsorption behavior and anti-inflammatory activity of naproxen interacting with pure boron nitride and boron phosphide fullerene-like cages

Yan Cao, Afrasyab Khan, Fatemeh Ghorbani et al. · Journal of Molecular Liquids · 2021 · 43 citations

Chemical Engineering, Boron Nitride, Engineering +11