Insight into peptide self-assembly from anisotropic rotational diffusion derived from 13C NMR relaxation

2012 ◽  
Vol 3 (4) ◽  
pp. 1284 ◽  
Author(s):  
Davy Sinnaeve ◽  
Marc-André Delsuc ◽  
José C. Martins ◽  
Bruno Kieffer
Keyword(s):  
13C Nmr ◽  
Self Assembly ◽  
Rotational Diffusion ◽  
Nmr Relaxation ◽  
Anisotropic Rotational Diffusion ◽  
Insight Into

scholarly journals Lanthanide Homobimetallic Triple-Stranded Helicates: Insight into the Self-Assembly Mechanism

2004 ◽  
Vol 2004 (1) ◽  
pp. 51-62 ◽  
Author(s):  
Mourad Elhabiri ◽  
Josef Hamacek ◽  
Jean-Claude G. Bünzli ◽  
Anne-Marie Albrecht-Gary
Keyword(s):  
Self Assembly ◽  
The Self ◽  
Assembly Mechanism ◽  
Insight Into

13C NMR Relaxation Rates in the Ionic Liquid 1-Ethyl-3-methylimidazolium Butanesulfonate

2006 ◽  
Vol 110 (3) ◽  
pp. 868-874 ◽  
Author(s):  
Norman E. Heimer ◽  
John S. Wilkes ◽  
Phillip G. Wahlbeck ◽  
W. Robert Carper
Keyword(s):  
Ionic Liquid ◽  
13C Nmr ◽  
Nmr Relaxation ◽  
Relaxation Rates

scholarly journals Rotational diffusion affects the dynamical self-assembly pathways of patchy particles

2015 ◽  
Vol 112 (50) ◽  
pp. 15308-15313 ◽  
Author(s):  
Arthur C. Newton ◽  
Jan Groenewold ◽  
Willem K. Kegel ◽  
Peter G. Bolhuis
Keyword(s):  
Self Assembly ◽  
Regulatory Networks ◽  
Rotational Diffusion ◽  
Equilibrium Constants ◽  
Diffusion Constant ◽  
Translational Diffusion ◽  
Einstein Relation ◽  
High Tech ◽  
Patchy Particles

Predicting the self-assembly kinetics of particles with anisotropic interactions, such as colloidal patchy particles or proteins with multiple binding sites, is important for the design of novel high-tech materials, as well as for understanding biological systems, e.g., viruses or regulatory networks. Often stochastic in nature, such self-assembly processes are fundamentally governed by rotational and translational diffusion. Whereas the rotational diffusion constant of particles is usually considered to be coupled to the translational diffusion via the Stokes–Einstein relation, in the past decade it has become clear that they can be independently altered by molecular crowding agents or via external fields. Because virus capsids naturally assemble in crowded environments such as the cell cytoplasm but also in aqueous solution in vitro, it is important to investigate how varying the rotational diffusion with respect to transitional diffusion alters the kinetic pathways of self-assembly. Kinetic trapping in malformed or intermediate structures often impedes a direct simulation approach of a kinetic network by dramatically slowing down the relaxation to the designed ground state. However, using recently developed path-sampling techniques, we can sample and analyze the entire self-assembly kinetic network of simple patchy particle systems. For assembly of a designed cluster of patchy particles we find that changing the rotational diffusion does not change the equilibrium constants, but significantly affects the dynamical pathways, and enhances (suppresses) the overall relaxation process and the yield of the target structure, by avoiding (encountering) frustrated states. Besides insight, this finding provides a design principle for improved control of nanoparticle self-assembly.

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