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Issue 30, 2013
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Procedure to construct a multi-scale coarse-grained model of DNA-coated colloids from experimental data

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Abstract

We present a quantitative, multi-scale coarse-grained model of DNA coated colloids. The parameters of this model are transferable and are solely based on experimental data. As a test case, we focus on nano-sized colloids carrying single-stranded DNA of length comparable to the colloids' size. We show that in this regime, the common theoretical approach of assuming pairwise additivity of the colloidal pair interactions leads to quantitatively and sometimes even qualitatively wrong predictions of the phase behaviour of DNA-grafted colloids. Compared to experimental data, we find that our coarse-grained model correctly predicts the equilibrium structure and melting temperature of the formed solids. Due to limited experimental information on the persistence length of single-stranded DNA, some quantitative discrepancies are found in the prediction of spatial quantities. With the availability of better experimental data, the present approach provides a path for the rational design of DNA-functionalised building blocks that can self-assemble into complex, three-dimensional structures.

Graphical abstract: Procedure to construct a multi-scale coarse-grained model of DNA-coated colloids from experimental data

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Article information


Submitted
11 Mar 2013
Accepted
03 May 2013
First published
21 Jun 2013

Soft Matter, 2013,9, 7342-7355
Article type
Paper

Procedure to construct a multi-scale coarse-grained model of DNA-coated colloids from experimental data

B. M. Mladek, J. Fornleitner, F. J. Martinez-Veracoechea, A. Dawid and D. Frenkel, Soft Matter, 2013, 9, 7342
DOI: 10.1039/C3SM50701G

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