Ge Yan
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Research Subjects
Research Interests
Ge Yan has a total of 5 co-authors. Here are the top co-authors by number of shared publications:
- Da Chen
Shandong University of Science and Technology
1 shared publication - Jinjuan Zhang
College of Electronic and Information Engineering, Shandong University of Science and Technology, Qingdao 266590, China
1 shared publication - Peng Wang
College of Electronic and Information Engineering, Shandong University of Science and Technology, Qingdao 266590, China
1 shared publication - Xiaodong Zhu
College of Electronic and Information Engineering, Shandong University of Science and Technology, Qingdao 266590, China
1 shared publication - Yingying Du
College of Electronic and Information Engineering, Shandong University of Science and Technology, Qingdao 266590, China
1 shared publication
Latest Publications
- Open Access
- 7 January 2021
- Published by MDPI AG in Nanomaterials
- Vol. 11 (1) , 115
Heterofullerene MC59 (M = B, Si, Al) as Potential Carriers for Hydroxyurea Drug Delivery
As a representative nanomaterial, C60 and its derivatives have drawn much attention in the field of drug delivery over the past years, due to their unique geometric and electronic structures. Herein, the interactions of hydroxyurea (HU) drug with the pristine C60 and heterofullerene MC59 (M = B, Si, Al) were investigated using the density functional theory calculations. The geometric and electronic properties in terms of adsorption configuration, adsorption energy, Hirshfeld charge, frontier molecular orbitals, and charge density difference are calculated. In contrast to pristine C60, it is found that HU molecule is chemisorbed on the BC59, SiC59, and AlC59 molecules with moderate adsorption energy and apparent charge transfer. Therefore, heterofullerene BC59, SiC59, and AlC59 are expected to be promising carriers for hydroxyurea drug delivery.
- 7 January 2021
- Published by MDPI AG in Nanomaterials
- Vol. 11 (1) , 115
Open AccessHeterofullerene MC59 (M = B, Si, Al) as Potential Carriers for Hydroxyurea Drug Delivery
As a representative nanomaterial, C60 and its derivatives have drawn much attention in the field of drug delivery over the past years, due to their unique geometric and electronic structures. Herein, the interactions of hydroxyurea (HU) drug with the pristine C60 and heterofullerene MC59 (M = B, Si, Al) were investigated using the density functional theory calculations. The geometric and electronic properties in terms of adsorption configuration, adsorption energy, Hirshfeld charge, frontier molecular orbitals, and charge density difference are calculated. In contrast to pristine C60, it is found that HU molecule is chemisorbed on the BC59, SiC59, and AlC59 molecules with moderate adsorption energy and apparent charge transfer. Therefore, heterofullerene BC59, SiC59, and AlC59 are expected to be promising carriers for hydroxyurea drug delivery.