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 00:00:00 EDT 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 Lab. (SNL-NM), Albuquerque, NM (United States)

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

Grant/Contract Number:: AC04-94AL85000; KC0203010

OSTI ID:: 1143195

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

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

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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References (31)

Self-assembly of peptide amphiphiles: From molecules to nanostructures to biomaterials Cui, Honggang; Webber, Matthew J.; Stupp, Samuel I. Biopolymers, Vol. 94, Issue 1, p. 1-18 https://doi.org/10.1002/bip.21328	journal	January 2010
Peptide-amphiphile nanofibers: A versatile scaffold for the preparation of self-assembling materials Hartgerink, J. D.; Beniash, E.; Stupp, S. I. Proceedings of the National Academy of Sciences, Vol. 99, Issue 8, p. 5133-5138 https://doi.org/10.1073/pnas.072699999	journal	April 2002
Molecular self-assembly of surfactant-like peptides to form nanotubes and nanovesicles Vauthey, S.; Santoso, S.; Gong, H. Proceedings of the National Academy of Sciences, Vol. 99, Issue 8, p. 5355-5360 https://doi.org/10.1073/pnas.072089599	journal	April 2002
Self-Assembly of a Designed Protein Polymer into β-Sheet Fibrils and Responsive Gels Goeden-Wood, Nichole L.; Keasling, Jay D.; Muller, Susan J. Macromolecules, Vol. 36, Issue 8 https://doi.org/10.1021/ma025952z	journal	April 2003
One-Dimensional Optoelectronic Nanostructures Derived from the Aqueous Self-Assembly of π-Conjugated Oligopeptides Diegelmann, Stephen R.; Gorham, Justin M.; Tovar, John D. Journal of the American Chemical Society, Vol. 130, Issue 42 https://doi.org/10.1021/ja805491d	journal	October 2008
Effect of the Peptide Secondary Structure on the Peptide Amphiphile Supramolecular Structure and Interactions Missirlis, Dimitris; Chworos, Arkadiusz; Fu, Caroline J. Langmuir, Vol. 27, Issue 10 https://doi.org/10.1021/la200800e	journal	May 2011
Peptide nanotubes: molecular organisations, self-assembly mechanisms and applications Valéry, Céline; Artzner, Franck; Paternostre, Maité Soft Matter, Vol. 7, Issue 20 https://doi.org/10.1039/c1sm05698k	journal	January 2011
Electrostatically-Directed Self-Assembly of Cylindrical Peptide Amphiphile Nanostructures Tsonchev, Stefan; Schatz, George C.; Ratner, Mark A. The Journal of Physical Chemistry B, Vol. 108, Issue 26 https://doi.org/10.1021/jp037731g	journal	July 2004
On the Structure and Stability of Self-Assembled Zwitterionic Peptide Amphiphiles: A Theoretical Study Tsonchev, Stefan; Troisi, Alessandro; Schatz, George C. Nano Letters, Vol. 4, Issue 3 https://doi.org/10.1021/nl0351439	journal	March 2004
Phase Diagram for Assembly of Biologically-Active Peptide Amphiphiles ^† Tsonchev, Stefan; Niece, Krista L.; Schatz, George C. The Journal of Physical Chemistry B, Vol. 112, Issue 2 https://doi.org/10.1021/jp076273z	journal	January 2008
The Role of Electrostatics and Temperature on Morphological Transitions of Hydrogel Nanostructures Self-Assembled by Peptide Amphiphiles Via Molecular Dynamics Simulations Fu, Iris W.; Markegard, Cade B.; Chu, Brian K. Advanced Healthcare Materials, Vol. 2, Issue 10 https://doi.org/10.1002/adhm.201200400	journal	April 2013
Micellization of ionic surfactants: calculations based on a self-consistent field lattice model Bohmer, Marcel R.; Koopal, Luuk K.; Lyklema, Johannes The Journal of Physical Chemistry, Vol. 95, Issue 23 https://doi.org/10.1021/j100176a095	journal	November 1991
On the self-consistent field theory of surfactant micelles Leermakers, F. A. M.; Lyklema, J. Colloids and Surfaces, Vol. 67 https://doi.org/10.1016/0166-6622(92)80302-I	journal	November 1992
Field theoretical modeling of the coexistence of micelles and vesicles in binary copolymer mixtures Li, Feng; Marcelis, Antonius T. M.; Sudhölter, Ernst J. R. Soft Matter, Vol. 5, Issue 21 https://doi.org/10.1039/b904525b	journal	January 2009
A Theoretical Study of Phase Behaviors for Diblock Copolymers in Selective Solvents Suo, Tongchuan; Yan, Dadong; Yang, Shuang Macromolecules, Vol. 42, Issue 17 https://doi.org/10.1021/ma900939u	journal	September 2009
Self-Assembly Behavior of AB/AC Diblock Copolymer Mixtures in Dilute Solution Zhuang, Ying; Lin, Jiaping; Wang, Liquan The Journal of Physical Chemistry B, Vol. 113, Issue 7 https://doi.org/10.1021/jp809181d	journal	February 2009
Controlling the Self-Assembly of Binary Copolymer Mixtures in Solution through Molecular Architecture Greenall, Martin J.; Schuetz, Peter; Furzeland, Steve Macromolecules, Vol. 44, Issue 13 https://doi.org/10.1021/ma2008546	journal	July 2011
Critical Micelle Concentration of Micelles with Different Geometries in Diblock Copolymer/Homopolymer Blends: Critical Micelle Concentration of Micelles with Different Geometries in Diblock … Zhou, Jiajia; Shi, An-Chang Macromolecular Theory and Simulations, Vol. 20, Issue 8 https://doi.org/10.1002/mats.201100042	journal	July 2011
Mechanical and chemical unfolding of a single protein: A comparison Carrion-Vazquez, M.; Oberhauser, A. F.; Fowler, S. B. Proceedings of the National Academy of Sciences, Vol. 96, Issue 7 https://doi.org/10.1073/pnas.96.7.3694	journal	March 1999
Theory of Unsymmetric Polymer-Polymer Interfaces in the Presence of Solvent Hong, K.; Noolandi, J.; Dennis, K. S. Macromolecules, Vol. 13, Issue 4 https://doi.org/10.1021/ma60076a038	journal	July 1980
Fluctuation in electrolyte solutions: The self energy Wang, Zhen-Gang Physical Review E, Vol. 81, Issue 2 https://doi.org/10.1103/PhysRevE.81.021501	journal	February 2010
A new interpretation of the effective Born radius from simulation and experiment Satheesan Babu, C.; Lim, Carmay Chemical Physics Letters, Vol. 310, Issue 1-2 https://doi.org/10.1016/S0009-2614(99)00714-9	journal	August 1999
Micelles of Coil−Comb Block Copolymers in Selective Solvents: Competition of Length Scales Wang, Jiafang; Guo, Kunkun; An, Lijia Macromolecules, Vol. 43, Issue 4 https://doi.org/10.1021/ma901977h	journal	January 2010
High Apparent Dielectric Constants in the Interior of a Protein Reflect Water Penetration Dwyer, John J.; Gittis, Apostolos G.; Karp, Daniel A. Biophysical Journal, Vol. 79, Issue 3 https://doi.org/10.1016/S0006-3495(00)76411-3	journal	September 2000
Crystalline polymorphism induced by charge regulation in ionic membranes Leung, C. -Y.; Palmer, L. C.; Kewalramani, S. Proceedings of the National Academy of Sciences, Vol. 110, Issue 41 https://doi.org/10.1073/pnas.1316150110	journal	September 2013
Molecular Crystallization Controlled by pH Regulates Mesoscopic Membrane Morphology Leung, Cheuk-Yui; Palmer, Liam C.; Qiao, Bao Fu ACS Nano, Vol. 6, Issue 12 https://doi.org/10.1021/nn304321w	journal	November 2012
Branched peptide-amphiphiles as self-assembling coatings for tissue engineering scaffolds Harrington, Daniel A.; Cheng, Earl Y.; Guler, Mustafa O. Journal of Biomedical Materials Research Part A, Vol. 78A, Issue 1 https://doi.org/10.1002/jbm.a.30718	journal	July 2006
Presentation of Bioactive Epitopes with free N-Termini on Self-Assembling Peptide Nanofibers Liu, Yanfei; Zhao, Xiaojun Nano, Vol. 06, Issue 01 https://doi.org/10.1142/S1793292011002391	journal	February 2011
pH-responsive branched peptide amphiphile hydrogel designed for applications in regenerative medicine with potential as injectable tissue scaffolds Lin, Brian F.; Megley, Katie A.; Viswanathan, Nickesh Journal of Materials Chemistry, Vol. 22, Issue 37 https://doi.org/10.1039/c2jm31745a	journal	January 2012
Interactions of a Charged Nanoparticle with a Lipid Membrane: Implications for Gene Delivery Ting, Christina L.; Wang, Zhen-Gang Biophysical Journal, Vol. 100, Issue 5 https://doi.org/10.1016/j.bpj.2010.11.042	journal	March 2011
Solving the finite-difference non-linear Poisson-Boltzmann equation Luty, Brock A.; Davis, Malcolm E.; McCammon, J. Andrew Journal of Computational Chemistry, Vol. 13, Issue 9 https://doi.org/10.1002/jcc.540130911	journal	November 1992

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