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International Journal for Multiscale Computational Engineering
IF: 1.016 5-Year IF: 1.194 SJR: 0.452 SNIP: 0.68 CiteScore™: 1.18

ISSN Print: 1543-1649
ISSN Online: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.2013005090
pages 347-358

STOCHASTIC MODELING OF MACROMOLECULAR MOTIONS THROUGH POST ARRAYS

Yun-Bo Yi
Department of Mechanical and Materials Engineering, University of Denver, Denver, Colorado 80208, USA

ABSTRACT

The dynamic motions of macromolecules through a microfluidic postarray system are simulated using a three-dimensional stochastic finite element approach. The effects of molecular conformation on the time for a macromolecule to move across the system are investigated. The analyses are first performed on disklike geometries and then extended to a representative carbonic anhydrase (CA) macromolecule model consisting of elastically deformable beam networks. The model predicts that smaller molecules typically take less time to pass through the post array, and that for stiff materials the time inversely increases with the aspect ratio of molecules due to the conformational changes in collisions between the molecules and the obstacles. In addition, the dynamic responses of molecules are highly stochastic. The work has potential applications in designing functional microfluidic devices for separation and purification of macromolecules such as plasmid DNA.

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