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How to calculate structure factors of self-assembling anisotropic particles

Autor(en)
Sofia Kantorovich, Elena Pyanzina, Cristiano De Michele, Francesco Sciortino
Abstrakt

We put forward a theoretical approach to analyse the structure factors obtained experimentally for solutions of self-assembling anisotropic particles. This method is applicable for any system of particles forming chains in thermodynamic equilibrium and is based on studying the behaviour of the centre–centre structure factor first peak. In order to calculate the structure factor analytically, we first derive the radial distribution function. For that we use the combination of the density functional theory and density expansion of the pair correlation functions. The first theory allows for the equilibrium chain formation, and the second takes into account particles' shape anisotropy at the level of the Gay–Berne potential. We apply our method to describe centre–centre structure factors of self-assembling short DNA duplexes with various semiaxes ratios. Extensive comparison of the theoretical predictions with the Monte Carlo simulation data shows a very good agreement. We show that the particle shape anisotropy exerts a crucial influence on the behaviour of the structure factors.

Organisation(en)
Computergestützte Physik und Physik der Weichen Materie
Externe Organisation(en)
Ural Federal University, Università degli Studi di Roma La Sapienza
Journal
Soft Matter
Band
9
Seiten
4412-4427
Anzahl der Seiten
16
ISSN
1744-683X
DOI
https://doi.org/10.1039/c3sm27895f
Publikationsdatum
2013
Peer-reviewed
Ja
ÖFOS 2012
106006 Biophysik
Schlagwörter
Link zum Portal
https://ucrisportal.univie.ac.at/de/publications/aa9659f0-26f1-46b5-9905-42d03b56b4dc