← Back to Search
Internal Dynamics Of A Supramolecular Nanofiber
Julia H. Ortony, C. Newcomb, John B Matson, Liam C. Palmer, P. Doan, B. Hoffman, S. Stupp
Published 2014 · Materials Science, Medicine
Download PDFAnalyze on Scholarcy
A large variety of functional self-assembled supramolecular nanostructures have been reported over recent decades.1 The experimental approach to these systems initially focused on the design of molecules for specific interactions that lead to discrete geometric structures.1–4 Recently, kinetics and mechanistic pathways of self-assembly have been investigated,6,7 but there remains a major gap in our understanding of internal conformational dynamics and their links to function. This challenge has been addressed through computational chemistry with the introduction of molecular dynamics (MD) simulations, which yield information on molecular fluctuations over time.5–7 Experimentally, it has been difficult to obtain analogous data with sub-nanometer spatial resolution. Thus, there is a need for experimental dynamics measurements, to confirm and guide computational efforts and to gain insight into the internal motion in supramolecular assemblies. Using site-directed spin labeling and electron paramagnetic resonance (EPR) spectroscopy, we measured conformational dynamics through the 6.7 nm cross-section of a self-assembled nanofiber in water and provide unique insight for the design of supramolecular functional materials.
This paper references
Molecular simulation study of peptide amphiphile self-assembly.
Y. Velichko (2008)
Molecular dynamics simulations of Alzheimer's β-amyloid protofilaments
N. Buchete (2005)
TOAC, a nitroxide spin‐labeled, achiral Cα‐tetrasubstituted α‐amino acid, is an excellent tool in material science and biochemistry
C. Toniolo (1998)
A hybrid nanofiber matrix to control the survival and maturation of brain neurons.
Shantanu Sur (2012)
Thioflavine T interaction with synthetic Alzheimer's disease β‐amyloid peptides: Detection of amyloid aggregation in solution
H. Levine (1993)
Self-Assembled Hexa-peri-hexabenzocoronene Graphitic Nanotube
J. Hill (2004)
Phospholamban structural dynamics in lipid bilayers probed by a spin label rigidly coupled to the peptide backbone.
C. Karim (2004)
Atomistic molecular dynamics simulations of peptide amphiphile self-assembly into cylindrical nanofibers.
One-Sun Lee (2011)
Atomic-Level Characterization of the Structural Dynamics of Proteins
D. Shaw (2010)
Molecular dynamics simulations of a lipid bilayer and of hexadecane: an investigation of membrane fluidity.
R. Venable (1993)
Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems
M. Klein (2008)
Molecular self-assembly into one-dimensional nanostructures.
Liam C. Palmer (2008)
Self-assembly at all
GM Whitesides (2002)
Self-Assembly at All Scales
G. Whitesides (2002)
Self-assembly of peptide-amphiphile nanofibers: the roles of hydrogen bonding and amphiphilic packing.
S. E. Paramonov (2006)
Structural and Dynamic Features of Alzheimer's Aβ Peptide in Amyloid Fibrils Studied by Site-directed Spin Labeling*
M. Török (2002)
Molecular Simulation Study of Peptide Amphiphile SelfAssembly
YS Velichko (2008)
Motion of spin-labeled side chains in T4 lysozyme. Correlation with protein structure and dynamics.
H. Mchaourab (1996)
Author manuscript; available in PMC
Cell death versus cell survival instructed by supramolecular cohesion of nanostructures
C. Newcomb (2014)
Substrate Elasticity Regulates Skeletal Muscle Stem Cell Self-Renewal in Culture
P. Gilbert (2010)
Nonlinear-Least-Squares Analysis of Slow-Motion EPR Spectra in One and Two Dimensions Using a Modified Levenberg–Marquardt Algorithm
David E. Budil (1996)
Self-Assembly and Mineralization of Peptide-Amphiphile Nanofibers
J. D. Hartgerink (2001)
Electrostatic control of bioactivity.
J. Goldberger (2011)
This paper is referenced by
Gd(III)-Labeled Peptide Nanofibers for Reporting on Biomaterial Localization in Vivo
Adam T. Preslar (2014)
Supramolecular Copolymerization as a Strategy to Control the Stability of Self-Assembled Nanofibers.
B. Thota (2018)
Peptide‐Based Nanocarriers for Cancer Therapy
G. Wei (2018)
Self-Assembly of Peptide-Polymer Conjugates for the Formation of Functional Biomaterials via Molecular Dynamics Simulations
Iris Fu (2015)
A Powerful CD8+ T-Cell Stimulating D-Tetra-Peptide Hydrogel as a Very Promising Vaccine Adjuvant.
Z. Luo (2017)
Silk and Silk-Like Supramolecular Materials.
Tanner D Fink (2018)
Hierarchical Assembly of a Dual-responsive Macroscopic Insulated Molecular Wire Bundle in a Gradient System
Yujie Sheng (2015)
Nucleation and Growth of Ordered Arrays of Silver Nanoparticles on Peptide Nanofibers: Hybrid Nanostructures with Antimicrobial Properties
Elena Pazos (2016)
Folding induced supramolecular assembly into pH-responsive nanorods with a protein repellent shell.
Ronja Otter (2018)
Impact of the water-compatible periphery on the dynamic and structural properties of benzene-1,3,5-tricarboxamide based amphiphiles.
S. M. C. Schoenmakers (2018)
Solvent effects on kinetic mechanisms of self-assembly by peptide amphiphiles via molecular dynamics simulations.
Iris Fu (2015)
Molecular and structural basis of low interfacial energy of complex coacervates in water.
Y. Jho (2017)
Supramolecular Assembly of Peptide Amphiphiles
Mark P. Hendricks (2017)
Recent progress in the electron paramagnetic resonance study of polymers
Kaleem-ur-Rahman Naveed (2018)
Self-Assembly of the Toll-Like Receptor Agonist Macrophage-Activating Lipopeptide MALP-2 and of Its Constituent Peptide.
V. Castelletto (2016)
Dissipative Self‐Assembly of Peptides
M. Tena-Solsona (2019)
Nonresonant and Local Field Effects in Peptidic Nanostructures Bearing Oligo(p-phenylenevinylene) Units.
Herdeline Ann M Ardoña (2017)
Surface water retardation around single-chain polymeric nanoparticles: critical for catalytic function?† †Electronic supplementary information (ESI) available: Synthetic procedures, CD- and IR spectra, additional information on ODNP and EPR spectra. See DOI: 10.1039/c5sc02319j
P. Stals (2016)
Advances in the use of prodrugs for drug delivery to the eye
Pranjal S. Taskar (2017)
DNA origami-based biomolecular organizing platforms
B. Rosier (2019)
Spontaneous structural transition and crystal formation in minimal supramolecular polymer model
Galit Fichman (2016)
Guest-driven inflation of self-assembled nanofibers through hollow channel formation.
Yanqiu Wang (2014)
Translation of the assembling trajectory by preorganisation: a study of the magnetic properties of 1D polymeric unpaired electrons immobilised on a discrete nanoscopic scaffold.
Vakayil K Praveen (2015)
Esterase-activated release of naproxen from supramolecular nanofibres.
M. Conda-Sheridan (2014)
EPR studies of bionanomaterials
Tatyana I. Smirnova (2019)
A supramolecular hydrogel self-assembled from pentafluorobenzyl-dipeptide
Shu-Min Hsu (2015)
The physics of pulling polyproteins: a review of single molecule force spectroscopy using the AFM to study protein unfolding.
M. L. Hughes (2016)
Supramolecular control of heme binding and electronic states in multi-heme peptide assemblies.
H Christopher Fry (2017)
Structure-Dependent Antimicrobial Theranostic Functions of Self-Assembled Short Peptide Nanoagents.
Inhye Kim (2017)
Self-assembly of a dual functional bioactive peptide amphiphile incorporating both matrix metalloprotease substrate and cell adhesion motifs.
A. Dehsorkhi (2015)
Drug Delivery with Designed Peptide Assemblies.
Matthew J Sis (2019)
Insights into the Kinetics of Supramolecular Comonomer Incorporation in Water
René P M Lafleur (2019)See more