Effect of the surface curvature on amyloid-β peptide adsorption for graphene

Yin, Xiuhua; Li, Baoyu; Liu, Shengtang; Gu, Zonglin; Zhou, Bo; Yang, Zaixing

doi:10.1039/c8ra10015b

Cited by 10 publications

(16 citation statements)

References 46 publications

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“…The morphology of nanomaterials leading to different adsorption capabilities was also found in our previous studies, , where the concave surface of graphene exhibited a stronger dispersion interaction with phospholipids or peptides than the convex surface due to a larger number of contacts that can be established. Similarly, the intersection between the wrinkled and planar areas resembles a local “concave surface”, thus providing the strongest interaction with dsDNA.…”

Section: Resultssupporting

confidence: 76%

“…As shown in the previous studies, , the interlayer water can play a significant role in regulating the interactions between biomolecules and nanomaterials due to some strong effects such as nanoscale dewetting . We studied the water distribution around DNA bases to show the effect of the interlayer water in regulating the interactions with graphene, and the results are shown in Figure S3.…”

Section: Resultsmentioning

confidence: 90%

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Zipper-Like Unfolding of dsDNA Caused by Graphene Wrinkles

Zhang

Meng

et al. 2020

J. Phys. Chem. C

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Wrinkles have been frequently observed in a graphene nanosheet. Such structural corrugations can influence graphene's characteristics and have received considerable attention recently. However, the impact of these wrinkles on the critical graphene interactions with biomolecules remains unclear. Here, we investigate the interaction of a double-stranded DNA (dsDNA) segment with a wrinkled graphene nanosheet using molecular dynamics simulations. We find that dsDNA experiences severe structural deformation upon binding to a wrinkled graphene surface, whereas it tends to maintain its native structure upon binding to an idealized graphene nanosheet. Further analysis reveals that it is energetically advantageous for the terminal bases to bind to the wrinkled area, serving as anchors on the nanosheet. Consequently, movement of the remaining part of the dsDNA generates a "centripetal stretching" force to the anchoring bases, causing the breakage of the interbase hydrogen bonds and local unfolding. Like a slider opening up a zipper, the local unfolding proceeds sequentially from the first base pair to the next until the end. This zipper-like unfolding subsequently exposes more DNA bases to contact with the wrinkled area, thus accelerating the dsDNA deformation. These findings highlight the importance of wrinkles in the interaction of graphene with biomolecules and deepen our understanding of graphene nanotoxicity in general.

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Section: Resultssupporting

confidence: 76%

Section: Resultsmentioning

confidence: 90%

Zipper-Like Unfolding of dsDNA Caused by Graphene Wrinkles

Zhang

Meng

et al. 2020

J. Phys. Chem. C

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“…The π–π and hydrophobic interactions between GO and Aβ 42 also play a key role in the inhibition of Aβ aggregation. Meanwhile, Yin et al 88 indicated that the adsorption capacity with Aβ of graphene's surface varies significantly depending on its curvature. The negative curved surface is more likely to adsorb Aβ than the positive curved surface.…”

Section: Two-dimensional Nanomaterialsmentioning

confidence: 99%

Advanced nanomaterials for modulating Alzheimer's related amyloid aggregation

et al. 2023

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“…Joshi et al studied the adsorption of amyloid-b peptide (Ab) on graphene by MD, and demonstrated that hydrophobic interaction and direct dispersion interaction played dominant roles in the adsorption process between graphene nanosheets and Ab. 50 In another case, Zhou and coworkers proposed that the hydrophobic interaction of protein structure could promote its adsorption process on GO. 51 Compared with other carbon species, GO exhibits higher protein adsorption capacity.…”

Section: Interaction Between Graphene and Biomacromoleculesmentioning

confidence: 99%