Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Study on Dynamics and Cluster Analysis between Carbon-based Nanoparticles and Amino Acids

Version 1 : Received: 19 November 2021 / Approved: 22 November 2021 / Online: 22 November 2021 (14:22:59 CET)

How to cite: Huang, W.; Jia, H.; Luo, J. Study on Dynamics and Cluster Analysis between Carbon-based Nanoparticles and Amino Acids. Preprints 2021, 2021110406 (doi: 10.20944/preprints202111.0406.v1). Huang, W.; Jia, H.; Luo, J. Study on Dynamics and Cluster Analysis between Carbon-based Nanoparticles and Amino Acids. Preprints 2021, 2021110406 (doi: 10.20944/preprints202111.0406.v1).

Abstract

We research the interaction between six representative carbon-based nanoparticles (CBNs) and 20 standard amino acids through all-atom molecular dynamics simulations. The six carbon-based nanoparticles are fullerene(C60), CNT55L3, CNT1010L3, CNT1515L3, CNT2020L3, and two-dimensional-graphene(Graphene33). Their curvatures decrease sequentially, and all of CNT are single-walled carbon nanotubes. We have observed that as the curvature of CBNs decreases, the adsorption effect of 20 amino acids with them has an increasing trend. In addition, we also used multi-dimensional clustering to analyze the adsorption effects of 20 amino acids on six carbon-based nanoparticles. We observed that the π-π interaction still plays an extremely important role in the adsorption of amino acids on carbon-based nanoparticles. Individual long-chain amino acids and “Benzene-like” Pro also have a strong adsorption effect with carbon-based nanoparticles.

Keywords

CBNs; amino acids; Molecular dynamics

Subject

LIFE SCIENCES, Biophysics

Comments (0)

We encourage comments and feedback from a broad range of readers. See criteria for comments and our diversity statement.

Leave a public comment
Send a private comment to the author(s)
Views 0
Downloads 0
Comments 0
Metrics 0


×
Alerts
Notify me about updates to this article or when a peer-reviewed version is published.

We use cookies on our website to ensure you get the best experience.
Read more about our cookies here.