Improved hydrodynamic interaction in macromolecular bead models

Carrasco, Beatriz; Torre, José Garcı́a de la

doi:10.1063/1.479743

Cited by 59 publications

(52 citation statements)

References 57 publications

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“…1A). 27 Based on the friction tensors for the hydrodynamic interactions between any pair of such beads, the mobility tensor m ¼ m tt m tr m rt m rr was determined (see ESI †). For a single spherical bead, eqn (1) reduces to a simple equation forr with scalar m tt , because of the irrelevant rotational degrees of freedom (…”

Section: Theoretical Model and Numerical Simulationsmentioning

confidence: 99%

Separation of chiral colloidal particles in a helical flow field

2013

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Stereoisomeric molecules with opposite chirality, so called enantiomers, often vary regarding their sensory, pharmacological and toxicological properties. Such enantiomer specific effects play a central role in the development, testing and evaluation of drugs, pesticides and food related products. Accordingly, efficient techniques for separation of chiral mixtures into enantiopure compounds are of enormous practical relevance. Most current enantiomer separation methods are based on enantioselective interactions with an auxiliary substance which has to be developed and optimized for different chiral molecules in an elaborate and costly process. Here, we experimentally demonstrate the separation of micron sized chiral particles in a helical fluid flow which is created inside a microfluidic device patterned with slanted grooves. We observe that the retention time of particles in a helical flow field strongly depends on their chirality which leads to an effective chiral separation within the channel. Our experimental results are confirmed by numerical calculations which demonstrate how the coupling of rotational and translational degrees of freedom leads to differences in the trajectories of particles with opposite chirality. Since our separation mechanism does not rely on material specific interactions, this offers considerable advantages over existing methods. We expect that our approach can be also applied at nanometre length scales by using channels with smaller diameters and with an optimized geometry.

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Section: Theoretical Model and Numerical Simulationsmentioning

confidence: 99%

Separation of chiral colloidal particles in a helical flow field

2013

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“…For this purpose, the shape of the carrier is approximated by a large number of beads that are rigidly connected. The corresponding hydrodynamic calculations based on the Stokes equation for the flow field around a particle at low Reynolds number are performed with the software package HYDRO++ [37,38]. The resulting equation of motion for the carrier is…”

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confidence: 99%

Transport Powered by Bacterial Turbulence

et al. 2014

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We demonstrate that collective turbulent-like motion in a bacterial bath can power and steer directed transport of mesoscopic carriers through the suspension. In our experiments and simulations, a microwedge-like "bulldozer" draws energy from a bacterial bath of varied density. We obtain that a maximal transport speed is achieved in the turbulent state of the bacterial suspension. This apparent rectification of random motion of bacteria is caused by polar ordered bacteria inside the cusp region of the carrier, which is shielded from the outside turbulent fluctuations. Introduction. Suspensions of bacteria or synthetic microswimmers show fascinating collective behavior emerging from their self-propulsion [1-4] which results in many novel active states such as swarming [5][6][7][8] and "active turbulence" [9][10][11][12][13][14]. In contrast to hydrodynamic turbulence, the apparent turbulent (or swirling) state occurs at exceedingly low Reynolds numbers but at relatively large bacterial concentrations.

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“…We standardize the magnitude difference by the norm percent deviation (NPD), see Eq. (19), to make the difference comparable across different system configurations, …”

Section: Numerical Resultsmentioning

confidence: 99%

“…19,28,30 Our bead models with scaling greatly improved the accuracy of the rotational tensor block and the whole tensor. The term 0.031(4π R 2 /(N + 12)) 1/2 in the fitted formula of the scaling factor shown in Fig.…”

Section: Discussionmentioning

confidence: 99%

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Assessing the two-body diffusion tensor calculated by the bead models

Wang

Huber

McCammon

2013

The Journal of Chemical Physics

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The diffusion tensor of complex macromolecules in Stokes flow is often approximated by the bead models. The bead models are known to reproduce the experimental diffusion coefficients of a single macromolecule, but the accuracy of their calculation of the whole multi-body diffusion tensor, which is important for Brownian dynamics simulations, has not been closely investigated. As a first step, we assess the accuracy of the bead model calculated diffusion tensor of two spheres. Our results show that the bead models produce very accurate diffusion tensors for two spheres where a reasonable number of beads are used and there is no bead overlap.

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Improved hydrodynamic interaction in macromolecular bead models

Cited by 59 publications

References 57 publications

Separation of chiral colloidal particles in a helical flow field

Separation of chiral colloidal particles in a helical flow field

Transport Powered by Bacterial Turbulence

Assessing the two-body diffusion tensor calculated by the bead models

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