Although most nanofabrication techniques can control nano/micro particle (NMP) size over a wide range, the majority of NMPs for biomedical applications exhibits a diameter of ~100 nm. Here, the vascular distribution of spherical particles, from 10 to 1,000 nm in diameter, is studied using intravital microscopy and computational modeling. Small NMPs (≤100 nm) are observed to move with Red Blood Cells (RBCs), presenting an uniform radial distribution and limited near-wall accumulation. Larger NMPs tend to preferentially accumulate next to the vessel walls, in a size-dependent manner (~70% for 1,000 nm NMPs). RBC-NMP geometrical interference only is responsible for this behavior. In a capillary flow, the effective radial dispersion coefficient of 1,000 nm particles is ~3-fold larger than Brownian diffusion. This suggests that sub-micron particles could deposit within diseased vascular districts more efficiently than conventional nanoparticles.

SUMMARYA new method is proposed for modelling the electrokinetic-induced mechanical motion of particles in a fluid domain under an applied electric field. In this method, independent solid meshes move in a fixed background field mesh that models the fluid and the electric field. This simple strategy removes the need for expensive mesh updates. Furthermore, the reproducing kernel particle functions enable efficient coupling of various immersed deformable solids with the surrounding viscous fluid in the presence of an applied electric field. The electric force on a particle is calculated by the Maxwell stress tensor method. For the first time, three-dimensional assembly of nano/biomaterials of various geometries and electrical properties have been comprehensively studied using the new method. Simulation of the dynamic process of electro-manipulation of individual and multiple cells agrees well with experimental data. Preliminary results for selective deposition of viruses and stretching of a DNA molecule are also presented.

Nanodiamonds (NDs) are emerging carbon platforms with promise as gene/drug delivery vectors for cancer therapy. Specifically, NDs functionalized with the polymer polyethylenimine (PEI) can transfect small interfering RNAs (siRNA) in vitro with high efficiency and low cytotoxicity. Here we present a modeling framework to accurately guide the design of ND-PEI gene platforms and elucidate binding mechanisms between ND, PEI, and siRNA. This is among the first ND simulations to comprehensively account for ND size, charge distribution, surface functionalization, and graphitization. The simulation results are compared with our experimental results both for PEI loading onto NDs and for siRNA (C-myc) loading onto ND-PEI for various mixing ratios. Remarkably, the model is able to predict loading trends and saturation limits for PEI and siRNA, while confirming the essential role of ND surface functionalization in mediating ND-PEI interactions. These results demonstrate that this robust framework can be a powerful tool in ND platform development, with the capacity to realistically treat other nanoparticle systems.

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Electric field-induced concentration has the potential for application in highly sensitive detection of nanoparticles (NPs) for disease diagnosis and drug discovery. Conventional two-dimensional planar electrodes, however, have shown limited sensitivity in NP concentration. In this paper, the dielectrophoretic (DEP) concentration of low-abundance NPs is studied using a nanostructured tip where a high electric field of 3 × 10(7) V m(-1) is generated. In experimental studies, individual 2, 10, and 100 nm Au NPs are concentrated to a nanotip using DEP concentration and are detected by scanning transmission and scanning electron microscopes. The DEP force on Au NPs near the end of a nanotip is computed according to the distance, and then compared with Brownian motion-induced force. The computational study shows qualitative agreement with the experimental results. When the experimental conditions for DEP concentration are optimized for 8 nm-long oligonucleotides, the sensitivity of a nanotip is 10 aM (10 attomolar; nine copies in a 1.5 μl sample volume). This DEP concentrator using a nanotip can be used for molecular detection without amplification.