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Title: Surface Inhomogeneity of Graphene Oxide Influences Dissociation of Aβ 16–21 Peptide Assembly

Abstract

Abnormal peptide assembly and aggregation is associated with an array of neurodegenerative diseases including Alzheimer’s disease (AD). A detailed understanding of how nanostructured materials such as oxidized graphene perturb the peptide assembly and subsequently induce fibril dissociation may open new directions for the development of potential AD treatments. Here, we investigate the impact of surface inhomogeneity of graphene oxide (GO) on the assembly of amyloid-beta Aβ16–21 peptides on GO surfaces with different degrees of oxidation using molecular dynamics simulations. Interestingly, nonuniform GO nanosheets (in terms of oxidation sites) have a much stronger perturbation effect on the structure of Aβ16–21 assembly. The Aβ peptides exhibit a remarkable tendency in binding to the scattered interfaces between unoxidized and oxidized regions, which induces the dissociation of Aβ amyloid fibril. These findings should deepen our understanding of surface-induced peptide dissociation and stimulate discovery of alternative AD treatments.

Authors:
 [1];  [1]; ORCiD logo [2];  [3]
  1. Zhejiang University, China
  2. ORNL
  3. IBM Thomas J. Watson Research Center
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1606782
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry B
Additional Journal Information:
Journal Volume: 123; Journal Issue: 43
Country of Publication:
United States
Language:
English

Citation Formats

He, Zhi, Li, Jingyuan, Chen, Serena, and Zhou, Ruhong. Surface Inhomogeneity of Graphene Oxide Influences Dissociation of Aβ 16–21 Peptide Assembly. United States: N. p., 2019. Web. doi:10.1021/acs.jpcb.9b07359.
He, Zhi, Li, Jingyuan, Chen, Serena, & Zhou, Ruhong. Surface Inhomogeneity of Graphene Oxide Influences Dissociation of Aβ 16–21 Peptide Assembly. United States. https://doi.org/10.1021/acs.jpcb.9b07359
He, Zhi, Li, Jingyuan, Chen, Serena, and Zhou, Ruhong. Sun . "Surface Inhomogeneity of Graphene Oxide Influences Dissociation of Aβ 16–21 Peptide Assembly". United States. https://doi.org/10.1021/acs.jpcb.9b07359.
@article{osti_1606782,
title = {Surface Inhomogeneity of Graphene Oxide Influences Dissociation of Aβ 16–21 Peptide Assembly},
author = {He, Zhi and Li, Jingyuan and Chen, Serena and Zhou, Ruhong},
abstractNote = {Abnormal peptide assembly and aggregation is associated with an array of neurodegenerative diseases including Alzheimer’s disease (AD). A detailed understanding of how nanostructured materials such as oxidized graphene perturb the peptide assembly and subsequently induce fibril dissociation may open new directions for the development of potential AD treatments. Here, we investigate the impact of surface inhomogeneity of graphene oxide (GO) on the assembly of amyloid-beta Aβ16–21 peptides on GO surfaces with different degrees of oxidation using molecular dynamics simulations. Interestingly, nonuniform GO nanosheets (in terms of oxidation sites) have a much stronger perturbation effect on the structure of Aβ16–21 assembly. The Aβ peptides exhibit a remarkable tendency in binding to the scattered interfaces between unoxidized and oxidized regions, which induces the dissociation of Aβ amyloid fibril. These findings should deepen our understanding of surface-induced peptide dissociation and stimulate discovery of alternative AD treatments.},
doi = {10.1021/acs.jpcb.9b07359},
url = {https://www.osti.gov/biblio/1606782}, journal = {Journal of Physical Chemistry B},
number = 43,
volume = 123,
place = {United States},
year = {2019},
month = {9}
}