Assessing Zn12O12 nanocage for the elimination of ciprofloxacin from drinking water using DFT simulations
Qaisar Ali, Hamad Khan, Salman Khan, Mahtab Alam, Ajmal Shah, Abdullah F. AlAsmari, Fawaz Alasmari, Momin Khan · 2026
Read Assessing Zn12O12 nanocage for the elimination of ciprofloxacin from drinking water using DFT simulations by Qaisar Ali, Hamad Khan, Salman Khan, Mahtab Alam, Ajmal Shah, Abdullah F. AlAsmari, Fawaz Alasmari, Momin Khan (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/PMC13521942.txt.
Description
Qaisar Ali and colleagues simulate in 2026 whether a zinc oxide nanocage can pull the antibiotic ciprofloxacin out of drinking water, using quantum chemistry calculations. Antibiotic residues in water foster resistance, so low-cost capture materials are actively sought.
Five binding layouts were optimised, with the strongest layout showing highly favourable adsorption energy and no cage distortion. Binding ran through fluorine and oxygen atoms on the drug meeting zinc and oxygen sites on the cage. Charge transfer, energy gap narrowing and bonding analyses all supported firm attachment. Binding was spontaneous, although very strong grip limits cage reuse after capture.
Catalog record
| CREATOR | Qaisar Ali, Hamad Khan, Salman Khan, Mahtab Alam, Ajmal Shah, Abdullah F. AlAsmari, Fawaz Alasmari, Momin Khan |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 45255 |
| LICENSE | https://creativecommons.org/licenses/by/4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |