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1.  Margination of micro- and nano-particles in blood flow and its effect on drug delivery 
Scientific Reports  2014;4:4871.
Drug delivery by micro- and nano-carriers enables controlled transport of pharmaceuticals to targeted sites. Even though carrier fabrication has made much progress recently, the delivery including controlled particle distribution and adhesion within the body remains a great challenge. The adhesion of carriers is strongly affected by their margination properties (migration toward walls) in the microvasculature. To investigate margination characteristics of carriers of different shapes and sizes and to elucidate the relevant physical mechanisms, we employ mesoscopic hydrodynamic simulations of blood flow. Particle margination is studied for a wide range of hematocrit values, vessel sizes, and flow rates, using two- and three-dimensional models. The simulations show that the margination properties of particles improve with increasing carrier size. Spherical particles yield slightly better margination than ellipsoidal carriers; however, ellipsoidal particles exhibit a slower rotational dynamics near a wall favoring their adhesion. In conclusion, micron-sized ellipsoidal particles are favorable for drug delivery in comparison with sub-micron spherical particles.
PMCID: PMC4007071  PMID: 24786000
2.  Synchronization, Slippage, and Unbundling of Driven Helical Flagella 
PLoS ONE  2013;8(8):e70868.
Peritrichous bacteria exploit bundles of helical flagella for propulsion and chemotaxis. Here, changes in the swimming direction (tumbling) are induced by a change of the rotational frequency of some flagella. Employing coarse-grained modeling and simulations, we investigate the dynamical properties of helical flagella bundles driven by mismatched motor torques. Over a broad range of distances between the flagella anchors and applied torque differences, we find a stable bundled state, which is important for a robust directional motion of a bacterium. With increasing torque difference, a phase lag in the flagellar rotations develops, followed by slippage and ultimately unbundling, which sensitively depends on the anchoring distance of neighboring flagella. In the slippage and drift states, the different rotation frequencies of the flagella generate a tilting torque on the bacterial body, which implies a change of the swimming direction as observed experimentally.
PMCID: PMC3747275  PMID: 23976961
3.  Spindles and active vortices in a model of confined filament-motor mixtures 
BMC Biophysics  2011;4:18.
Robust self-organization of subcellular structures is a key principle governing the dynamics and evolution of cellular life. In fission yeast cells undergoing division, the mitotic spindle spontaneously emerges from the interaction of microtubules, motor proteins and the confining cell walls, and asters and vortices have been observed to self-assemble in quasi-two dimensional microtubule-kinesin assays. There is no clear microscopic picture of the role of the active motors driving this pattern formation, and the relevance of continuum modeling to filament-scale structures remains uncertain.
Here we present results of numerical simulations of a discrete filament-motor protein model confined to a pressurised cylindrical box. Stable spindles, nematic configurations, asters and high-density semi-asters spontaneously emerge, the latter pair having also been observed in cytosol confined within emulsion droplets. State diagrams are presented delineating each stationary state as the pressure, motor speed and motor density are varied. We further highlight a parameter regime where vortices form exhibiting collective rotation of all filaments, but have a finite life-time before contracting to a semi-aster. Quantifying the distribution of life-times suggests this contraction is a Poisson process. Equivalent systems with fixed volume exhibit persistent vortices with stochastic switching in the direction of rotation, with switching times obeying similar statistics to contraction times in pressurised systems. Furthermore, we show that increasing the detachment rate of motors from filament plus-ends can both destroy vortices and turn some asters into vortices.
We have shown that discrete filament-motor protein models provide new insights into the stationary and dynamical behavior of active gels and subcellular structures, because many phenomena occur on the length-scale of single filaments. Based on our findings, we argue the need for a deeper understanding of the microscopic activities underpinning macroscopic self-organization in active gels and urge further experiments to help bridge these lengths.
PMCID: PMC3253673  PMID: 22087580

Results 1-3 (3)