Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides

Ting, Christina L.; Frischknecht, Amalie L.; Stevens, Mark J.; Spoerke, Erik D.

doi:10.1021/jp503414p

Title: Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides

Journal Article · Thu Jun 19 04:00:00 UTC 2014 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry

DOI: https://doi.org/10.1021/jp503414p · OSTI ID:1143195

Ting, Christina L. ^[1]; Frischknecht, Amalie L. ^[1]; Stevens, Mark J. ^[1]; Spoerke, Erik D. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

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.

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Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1143195

Report Number(s):: SAND2014--2972J; 517106

Journal Information:: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry Journal Issue: 29 Vol. 118; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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