Shape transition of semi-flexible macromolecules confined in channel and cavity |
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Authors: | P Cifra and T Bleha |
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Institution: | (1) Analytical and Biophysical Environmental Chemistry (CABE), Department of Inorganic, Analytical and Applied Chemistry, Sciences II, University of Geneva, 30 quai E. Ansermet, 1211 Geneva 4, Switzerland; |
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Abstract: | Stiff macromolecules entrapped in channels or in spherical cavities undergo a shape transition on increasing confinement as
shown by our investigation using molecular simulations. In channels this weak-to-strong confinement transition leads to extended
conformations without the hairpin-like back-folding. In cavities, on decrease of cavity radius, the semi-flexible chain in
a disordered state starts to self-organize into the torus. As a common rule for both types of confinement the transition to
the ordered structures is observed when the radius of cavity and cylindrical channel reaches the lower bound of macromolecular
flexibility given by the average typical radius of curvature of the chain, which is approximately equal to the persistence
length of the macromolecular chain. This simple geometric rule finds its application in various confinement situations of
stiff bio-macromolecules either in micro-channel experiments or in real biophysical situation, such as DNA in viral capsid. |
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