Conformational dynamics of a single chain of submicron-sized polyelectrolyte in simple flow fields

Conformational dynamics of a single chain of submicron-sized polyelectrolyte in simple flow fields
Polyelectrolyte; Single Chain; Conformation; Rheology
Issue Date
82th Society of Rheology
VOL 82, 112-113
Understanding the conformational dynamics of polyelectrolyte chain by single molecule detection has been motivated in areas of nanobio research, holding promise for studies of rheological system as well. Our previous studies [Phys. Rev. E, 2009; J. Chem. Phys., 2007] on a single wormlike chain of xanthan polyelectrolytes have recently been extended with focusing on its behavior in flow fields. The mesoscale coarse-graining is based on the nonlinear bead-spring model (i.e., FENE) with long-range electrostatic and hydrodynamic interactions between pairs of beads. Our Brownian dynamics (BD) simulations provide that the size increses in no-flos case with decreasing screening effect are well reproduced by previously obtained experimental data. Coil-to-rodlike transition is predicted by estimating the static structure factor and the characteristic stretching ratio between end-to-end distance and gyration radius. Compared to the case of uniform flow field, the chain conformation in simple shear fields follows plateau, transition, and slight change regions, as the flow strength increases. Translational self-diffusion is determined from the meansquare displacement with the lag time in each Beownian trajectory, taking into account velocity fluctuations in the time interval. In this presentation, we also reports the single molecule tracking performed on fluorescein-labeled xanthan using an inverted epi-fluorescence microscope. Subsequently, the degree of discrepancy between simulation results and experimental data obtained by quantifying the image motion will be discussed.
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