Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene

Liu, Jiajia; Yang, Zaixing; Gu, Zonglin; Li, Haotian; Garate, Jose Antonio; Zhou, Ruhong

doi:10.1063/1.4901113

Title: Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene

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Abstract

Clearance of partially ordered oligomers and monomers deposited on cell membrane surfaces is believed to be an effective route to alleviate many potential protein conformational diseases (PCDs). With large-scale all-atom molecular dynamics simulations, here we show that graphene nanosheets can easily and quickly win a competitive adsorption of human islet amyloid polypeptides (hIAPP{sub 22-28}) NFGAILS and associated fibrils against cell membrane, due to graphene's unique two-dimensional, highly hydrophobic surface with its all-sp{sup 2} hybrid structure. A nanoscale dewetting transition was observed at the interfacial region between the fibril (originally deposited on the membrane) and the graphene nanosheet, which significantly assisted the adsorption of fibrils onto graphene from the membrane. The π–π stacking interaction between Phe23 and graphene played a crucial role, providing the driving force for the adsorption at the graphene surface. This study renders new insight towards the importance of water during the interactions between amyloid peptides, the phospholipidic membrane, and graphene, which might shed some light on future developments of graphene-based nanomedicine for preventing/curing PCDs like type II diabetes mellitus.

Authors:

Liu, Jiajia; Yang, Zaixing; Gu, Zonglin ^[1]; Li, Haotian ^[2]; Garate, Jose Antonio ^[3]; Zhou, Ruhong ^[1]

Institute of Quantitative Biology and Medicine, SRMP and RAD-X, Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, and Jiangsu Provincial Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou 215123 (China)
Bio-X Lab, Department of Physics, Zhejiang University, Hangzhou 310027 (China)
IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598 (United States)

Publication Date:: Sun Dec 14 00:00:00 EST 2014

OSTI Identifier:: 22413313

Resource Type:: Journal Article

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 141; Journal Issue: 22; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ADSORPTION; CELL MEMBRANES; DEPOSITS; DIABETES MELLITUS; GRAPHENE; HYBRIDIZATION; INTERACTIONS; MOLECULAR DYNAMICS METHOD; MONOMERS; NANOSTRUCTURES; POLYPEPTIDES; SIMULATION; SURFACES; TWO-DIMENSIONAL SYSTEMS

Citation Formats


                    Liu, Jiajia, Yang, Zaixing, Gu, Zonglin, Li, Haotian, Garate, Jose Antonio, Zhou, Ruhong, IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598, and Department of Chemistry, Columbia University, New York, New York 10027. Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene.  United States: N. p., 2014. 
        Web.  doi:10.1063/1.4901113.

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                    Liu, Jiajia, Yang, Zaixing, Gu, Zonglin, Li, Haotian, Garate, Jose Antonio, Zhou, Ruhong, IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598, & Department of Chemistry, Columbia University, New York, New York 10027. Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene.  United States.  https://doi.org/10.1063/1.4901113

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                    Liu, Jiajia, Yang, Zaixing, Gu, Zonglin, Li, Haotian, Garate, Jose Antonio, Zhou, Ruhong, IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598, and Department of Chemistry, Columbia University, New York, New York 10027. 2014.  
        "Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene".  United States.  https://doi.org/10.1063/1.4901113.

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@article{osti_22413313,

  title        = {Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene},

  author       = {Liu, Jiajia and Yang, Zaixing and Gu, Zonglin and Li, Haotian and Garate, Jose Antonio and Zhou, Ruhong and IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598 and Department of Chemistry, Columbia University, New York, New York 10027},

  abstractNote = {Clearance of partially ordered oligomers and monomers deposited on cell membrane surfaces is believed to be an effective route to alleviate many potential protein conformational diseases (PCDs). With large-scale all-atom molecular dynamics simulations, here we show that graphene nanosheets can easily and quickly win a competitive adsorption of human islet amyloid polypeptides (hIAPP{sub 22-28}) NFGAILS and associated fibrils against cell membrane, due to graphene's unique two-dimensional, highly hydrophobic surface with its all-sp{sup 2} hybrid structure. A nanoscale dewetting transition was observed at the interfacial region between the fibril (originally deposited on the membrane) and the graphene nanosheet, which significantly assisted the adsorption of fibrils onto graphene from the membrane. The π–π stacking interaction between Phe23 and graphene played a crucial role, providing the driving force for the adsorption at the graphene surface. This study renders new insight towards the importance of water during the interactions between amyloid peptides, the phospholipidic membrane, and graphene, which might shed some light on future developments of graphene-based nanomedicine for preventing/curing PCDs like type II diabetes mellitus.},

  doi          = {10.1063/1.4901113},

  url          = {https://www.osti.gov/biblio/22413313},
  journal      = {Journal of Chemical Physics},

  issn         = {0021-9606},

  number       = 22,

  volume       = 141,

  place        = {United States},

  year         = {Sun Dec 14 00:00:00 EST 2014},

  month        = {Sun Dec 14 00:00:00 EST 2014}

}

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