A density-functional theory study of the interaction of rimantadine drug molecule with X-doped fullerene (X = B, Al, Ga, Si, Ge, BN, AlN, GaN, SiN, GeN)
Penulis/Author
Prof. Sholihun, S.Si., M.Sc., Ph.D.Sc. (1); Dr.Sc. Ari Dwi Nugraheni, S.Si., M.Si. (2)
Tanggal/Date
12 2024
Kata Kunci/Keyword
Abstrak/Abstract
This research investigated the interaction of rimantadine (RMT) drug molecule with fullerene C60 and heterofullerenes through density-functional theory calculations. Heterofullerene was used as a nanomaterial through the introduction of the following dopants into fullerene C60: B, Al, Ga, Si, Ge, BN, AlN, GaN, SiN, GeN, AlN2, AlN3, (AlN3)2, (AlN)3, (AlN2)3, and (AlN3)3. The adsorption energy and charge transfer were analyzed to investigate the interaction between RMT and heterofullerene. The addition of the N dopant to C59Al heterofullerene enhanced the adsorption energy, which enabled the transport of three molecules of the RMT drug.
Rumpun Ilmu
Fisika
Bahasa Asli/Original Language
English
Level
Internasional
Status
Dokumen Karya
No
Judul
Tipe Dokumen
Aksi
1
Full-paper-ANSNN.pdf
Dokumen Pendukung Karya Ilmiah (Hibah, Publikasi, Penelitian, Pengabdian)
2
form-L1-paper jurnal sudah terbit-2-ANSNN.pdf
Dokumen Pendukung Karya Ilmiah (Hibah, Publikasi, Penelitian, Pengabdian)
