Electronic and molecular dynamics mechanisms of wogonin adsorption on graphene nanocarriers
Xiong Li, Wenxu Yang, Tao Yang, Wei Hu, Zuojian Zhou, Chenjun Hu, Jian Zhang, Kongfa Hu · 2026
Read Electronic and molecular dynamics mechanisms of wogonin adsorption on graphene nanocarriers by Xiong Li, Wenxu Yang, Tao Yang, Wei Hu, Zuojian Zhou, Chenjun Hu, Jian Zhang, Kongfa Hu (2026) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/PMC13542121.txt.
Description
Xiong Li and colleagues simulate a drug carrier question in 2026. The compound is wogonin, from a traditional Chinese medicine herb. The carrier candidate is graphene, a flat carbon sheet. How the compound grips the sheet guides carrier design. The study works at atomic level throughout.
Quantum calculations ran alongside molecular dynamics runs. The dynamics lasted twenty nanoseconds of simulated time. Both agreed the molecule lies flatter on graphene. Its electron cloud spreads wider across the surface. Charge transfer was negligible between the pair. Gentle stacking forces dominate the grip. Binding energies were strongly favourable at two levels of theory. In simulated water, the pair stayed together throughout.
Catalog record
| CREATOR | Xiong Li, Wenxu Yang, Tao Yang, Wei Hu, Zuojian Zhou, Chenjun Hu, Jian Zhang, Kongfa Hu |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 38558 |
| LICENSE | https://creativecommons.org/licenses/by/4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |