Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides
Abstract
Electrostatics plays an important role in the self-assembly of amphiphilic peptides. To develop a molecular understanding of the role of the electrostatic interactions, we develop a coarse-grained model peptide and apply self-consistent field theory to investigate the peptide assembly into a variety of aggregate nanostructures. We find that the presence and distribution of charged groups on the hydrophilic branches of the peptide can modify the molecular configuration from extended to collapsed. This change in molecular configuration influences the packing into spherical micelles, cylindrical micelles (nanofibers), or planar bilayers. The effects of charge distribution therefore has important implications for the design and utility of functional materials based on peptides.
- Authors:
-
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1143195
- Report Number(s):
- SAND2014-2972J
Journal ID: ISSN 1520-6106; 517106
- Grant/Contract Number:
- AC04-94AL85000; KC0203010
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
- Additional Journal Information:
- Journal Volume: 118; Journal Issue: 29; Journal ID: ISSN 1520-6106
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Ting, Christina L., Frischknecht, Amalie L., Stevens, Mark J., and Spoerke, Erik D. Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides. United States: N. p., 2014.
Web. doi:10.1021/jp503414p.
Ting, Christina L., Frischknecht, Amalie L., Stevens, Mark J., & Spoerke, Erik D. Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides. United States. https://doi.org/10.1021/jp503414p
Ting, Christina L., Frischknecht, Amalie L., Stevens, Mark J., and Spoerke, Erik D. Thu .
"Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides". United States. https://doi.org/10.1021/jp503414p. https://www.osti.gov/servlets/purl/1143195.
@article{osti_1143195,
title = {Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides},
author = {Ting, Christina L. and Frischknecht, Amalie L. and Stevens, Mark J. and Spoerke, Erik D.},
abstractNote = {Electrostatics plays an important role in the self-assembly of amphiphilic peptides. To develop a molecular understanding of the role of the electrostatic interactions, we develop a coarse-grained model peptide and apply self-consistent field theory to investigate the peptide assembly into a variety of aggregate nanostructures. We find that the presence and distribution of charged groups on the hydrophilic branches of the peptide can modify the molecular configuration from extended to collapsed. This change in molecular configuration influences the packing into spherical micelles, cylindrical micelles (nanofibers), or planar bilayers. The effects of charge distribution therefore has important implications for the design and utility of functional materials based on peptides.},
doi = {10.1021/jp503414p},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
number = 29,
volume = 118,
place = {United States},
year = {Thu Jun 19 00:00:00 EDT 2014},
month = {Thu Jun 19 00:00:00 EDT 2014}
}
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