Selectivity and morphological engineering of a unique gallium−organic framework for antibiotics exclusion in water DOI Creative Commons
Mehdi Barati, ‪Heidar Raissi, Afsaneh Ghahari

et al.

npj Clean Water, Journal Year: 2024, Volume and Issue: 7(1)

Published: Nov. 28, 2024

Antibiotic pollutants from pharmaceutical waste pose a severe threat to ecosystems. This study explores the use of gallium-metal organic frameworks (Ga-MOFs) and imide-functionalized MOFs (F-MOFs) for antibiotic removal through adsorption. Using molecular dynamics simulations, we evaluated adsorption amikacin (AMC), kanamycin (KMC), tobramycin (TMC) on MOF F-MOF surfaces. The simulation results suggest that these adsorbents could be effective in adsorbing significant portion antibiotics. π-π stacking interactions contributed strong binding between antibiotics substrates. Additionally, metadynamics simulations revealed free energy minima –254.29 KJ/mol KMC/MOFs –187.62 KMC/F-MOFs, confirming complex stability. theoretical approach highlights potential Ga-MOF-based materials mitigating pollution's environmental health impacts.

Language: Английский

Chemical Sensors and Biosensors Based on Metal–Organic Frameworks (MOFs) DOI Creative Commons
Chunsheng Wu, Liping Du, Wei Chen

et al.

Chemosensors, Journal Year: 2025, Volume and Issue: 13(2), P. 72 - 72

Published: Feb. 17, 2025

Metal–organic frameworks (MOFs), also referred to as porous coordination polymers [...]

Language: Английский

Citations

0
Multiple active sites in robust covalent organic frameworks for high-performance lithium/sodium/potassium storage DOI
Afsaneh Ghahari, ‪Heidar Raissi

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 117, P. 116269 - 116269

Published: March 17, 2025

Language: Английский

Citations

0
Selectivity and morphological engineering of a unique gallium−organic framework for antibiotics exclusion in water DOI Creative Commons
Mehdi Barati, ‪Heidar Raissi, Afsaneh Ghahari

et al.

npj Clean Water, Journal Year: 2024, Volume and Issue: 7(1)

Published: Nov. 28, 2024

Antibiotic pollutants from pharmaceutical waste pose a severe threat to ecosystems. This study explores the use of gallium-metal organic frameworks (Ga-MOFs) and imide-functionalized MOFs (F-MOFs) for antibiotic removal through adsorption. Using molecular dynamics simulations, we evaluated adsorption amikacin (AMC), kanamycin (KMC), tobramycin (TMC) on MOF F-MOF surfaces. The simulation results suggest that these adsorbents could be effective in adsorbing significant portion antibiotics. π-π stacking interactions contributed strong binding between antibiotics substrates. Additionally, metadynamics simulations revealed free energy minima –254.29 KJ/mol KMC/MOFs –187.62 KMC/F-MOFs, confirming complex stability. theoretical approach highlights potential Ga-MOF-based materials mitigating pollution's environmental health impacts.

Language: Английский

Citations

1