Kinetics of nanoparticle targeting by dissipative particle dynamics simulations.

Kinetics of nanoparticle targeting by dissipative particle dynamics simulations.
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DOI:
10.1021/bm900785c
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发表时间:
2009-11-09
期刊:
影响因子:
6.2
通讯作者:
Dormidontova, Elena E.
Dormidontova, Elena E.
中科院分区:
化学2区
文献类型:
--
作者:
Djohari, Hadrian;Dormidontova, Elena E.

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Dissipative Particle Dynamics simulations are applied to study nanoparticle targeting to a cell surface containing a high concentration of receptors. We found that the normalized number of bound ligands follows an exponential growth function 1 - exp(-t/τ), with the lifetime τ increasing as a function of the binding strength. With increasing binding energy, the shape of the adsorbed nanoparticle becomes ellipsoidal due to a large number of stably bound ligands, most of which are positioned on the nanoparticle periphery. For a low degree of functionalization of homogeneously distributed ligands, the kinetics of nanoparticle attachment slows down due to interference by non-functional chains, the overall number of bound ligands at equilibrium decreases, although the stability of ligand attachment increases. Janus-like nanoparticles with functionalized chains positioned on one side of the nanoparticle exhibit more rapid binding to the cell surface with a large equilibrium number of stably bound ligands.
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