In-silico mechanistic analysis of adsorption of Iodinated Contrast Media agents on graphene surface

In-silico mechanistic analysis of adsorption of Iodinated Contrast Media agents on graphene surface

The study aims at assessing the potential of graphene-based adsorbents to reduce environmental impacts of Iodinated Contrast Media Agents (ICMs). We analyze an extensive collection of ICMs. A modeling approach resting on molecular docking and Density Functional Theory simulations is employed to exam...

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Bibliographic Details
Main Authors: Ashfeen Ubaid Khan, Giovanni Michele Porta, Monica Riva, Alberto Guadagnini
Format: Article
Language:English
Published: Elsevier 2024-07-01
Series:Ecotoxicology and Environmental Safety
Subjects:
Iodinated Contrast Media
Adsorption
DFT
QSAR
Remediation
Contamination
Online Access:http://www.sciencedirect.com/science/article/pii/S0147651324005827

Internet

http://www.sciencedirect.com/science/article/pii/S0147651324005827

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