A study utilizing molecular dynamics simulations has examined the interactions of graphene quantum dots (GQDs) and graphene oxide quantum dots (GOQDs) with aquaporin-1 (AQP1) water channel proteins to assess their potential biological impact. The findings reveal that GQDs can adhere to and block the openings of AQP1 channels, a phenomenon that increases with higher GQD concentrations. This blockage is primarily driven by hydrophobic interactions between the GQDs and the loop regions near the channel openings. GOQDs exhibit a lower tendency for such blockage due to their hydrophilic oxidation groups. The study highlights the potential toxicity of GQDs in biological systems and suggests that functionalization of GQDs with oxidation groups could mitigate these effects, offering insights into the safer design of nanomaterials for biomedical applications.
For more details, please continue reading the full article under the following link:
https://www.nature.com/articles/s41598-024-77592-3
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