Transport Of Nanoparticles Research Articles

Corrigendum to “Parallel Performance Analysis and Numerical Simulation of Magnetic Nanoparticles Transportation and Blood Flow Pattern in Capillaries”

The authors regret the following corrigendum to the above article <xref ref-type="bibr" rid="ref1" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">[1]</xref> , fixing some typos that could mislead the reader. • The boundary condition at r=0 was missing, The correct form of boundary conditions are: <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$u=v=0$ </tex-math></inline-formula> at <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$r=0$ </tex-math></inline-formula> and <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$r=1$ </tex-math></inline-formula> .• The parameter y was missing in the basic equations (5) and (6). The correct equation is: <disp-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">\begin{equation*}m \frac{\partial v}{\partial t}=\mu_{0}V_{M}(M \nabla H)_{y}+6 \pi \mu R_{M}(u-v). \end{equation*} </tex-math></disp-formula> • The pressure gradient equation (7) was wrong. The correct form of equation (7) is: <disp-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">\begin{equation*}- \frac{\partial p}{\partial z}=a_{0}+a_{1}cos\omega t.\end{equation*} </tex-math></disp-formula>

Time resolved pore scale monitoring of nanoparticle transport in porous media using synchrotron X-ray μ-CT

Capturing nanoparticle retention in 4D via ex situ μ-CT.

A pore-scale investigation of the effect of nanoparticle injection on properties of sandy porous media

Nanoremediation is a new groundwater remediation technology in which nanoparticles (NPs) are injected into the sub-surface to promote in-situ degradation of aquifer contaminants. Although nanoremediation is an effective process to eliminate contaminants in-situ, its success relies on sufficiently mobile NPs that can reach the contaminated zones and remain there to facilitate chemical degradation of contaminants. Therefore, understanding the main parameters that control the mobility and retention of NPs in saturated porous media is a key component of designing a successful nanoremediation process.This work presents the outcome of a pore-scale study of nZVI NP (zero-valent iron) transport in sandy porous media using the non-destructive 3D imaging technique, X-ray computed micro-tomography (X-ray micro-CT). We investigate the effect of grain size (fine, coarse, carbonate and mixed sand) and composition (carbonate vs sand grains) on the mobility and retention of NPs in sand columns. To achieve this, we used four columns packed with grains of different sizes and compositions. The main contribution of this work is, therefore, to understand the effect of NP injection on the structural and geometric properties of sandy porous media and to identify the main pore-scale mechanisms controlling NP transport and entrapment.Our experiment shows that the pore geometries change because of NP injection. Pore clogging is evidenced through pore size and throat size distribution displaying a shift to the left with a noticeable reduction in pore connectivity in all the columns. The porosity and permeability of the columns studied display significant reduction as result of the NP injection.

Multi-dimensional modeling of nanoparticles transportation from capillary bed into the tumor microenvironment

In this study, we examined the extravasation of pharmaceutical inorganic nanoparticles (NPs) with a new approach from the leaky endothelium of tumor microvasculature (TMV) into the tumor microenvironment (TME) multi-dimensionally. We proposed a combination of prevailing macroscopic and microscopic methods and addressed the effect of interstitial fluid (IF) retention in solid tumor as an imperative parameter in drug delivery modeling. The Navier-Stokes equations and Darcy's law were utilized for blood flow and porous media, and the Starling's law was brought in for coupling effect. The blood flow was simulated as a non-Newtonian fluid alongside the Newtonian IF. We applied the Galerkin finite element method for the simulations. Our parametric study includes examining the effect of IF retention and TMV pressure on the distribution of tumor interstitial fluid pressure (TIFP), NPs concentration, and diameter on the penetration process, together with the time effect, on two-dimensional (2D) delivery of NPs. Our findings indicate that the IF retention in tumor cells increases TIFP depending on the amount of TMV pressure and IF retained. In addition to doubling pressure in the tumor necrotic region rather than the rest of TME, it enhances the TIFP which is an important parameter in drug delivery to solid tumors. By decreasing pressure drop within the TMV, pressure distribution within the TME becomes more uniform, creating a better condition for homogeneous penetration of NPs. Increasing both inlet pressure and NPs concentration leads to a nonlinear increase in the average concentration of tumor. Decreasing the diameter of NPs increases the penetration of NPs with a higher ratio in the TME.

Influence of biochar incorporation on the collector surface properties and the transport of silver nanoparticles in porous media

Biochar is widely used as a soil amendment due to its environmental friendliness and convenient availability. It is believed that the presence of biochar in porous media can influence the transport of colloidal and solute contaminants. In this study, different mass ratios of biochar were added to packed sand with a rough or smooth surface to determine the significance of biochar on the retention and release of silver nanoparticles (AgNPs). The results showed that biochar reduced the transport of AgNPs in rough and smooth sands under different solution conditions. A small amount of biochar (0.1–1% in mass percentage) can significantly enhance the retention of AgNPs due to the alteration in collector surface roughness and chemical heterogeneity that potentially reduce the energy barrier for retention. Furthermore, the retention of AgNPs in rough sand was always higher than that in smooth sand under the same experimental conditions. The presence of biochar also produced nonmonotonic retention of AgNPs mainly due to the changes in collector surface roughness. Additionally, the AgNPs retention associated with biochar tended to be irreversible due to the charge heterogeneity, while the reversible retention could mainly occur on a rough sand surface via shallow primary minima. This work highlights the significance of collector surface roughness that needs to be considered in the process of biochar amendment for practical applications to effectively immobilize colloidal contaminants in soil or groundwater.

Extremely asymmetric sawtooth potential in the ratchet theory

AbstractWe present a review of analytical approaches involved in developing the ratchet theory, which are based on the model of extremely asymmetric sawtooth potential. Analytical expressions are given for the average velocity of ratchets which operate in various motion modes, namely, motion induced by dichotomous half‐period shifts of potential profiles, adiabatic and high‐temperature modes, and motion induced by small fluctuations of an arbitrary type. The presence of jumps in the periodic extremely asymmetric sawtooth potential profile leads to a number of features of the obtained solutions which follow from the competition of the reverse sliding time tending to infinity with high fluctuation frequencies. The resulting dependences of the average velocity on the ratchet parameters clearly demonstrate that the motion direction can be controlled by tuning the frequency and temperature. The heuristic value of the presented models for controlling nanoparticle transport is discussed.

Hyperenrichment of gold in pyrite induced by solid-state transportation

The hyperenrichment of gold is critical for the formation of high-grade gold deposits in orogenic systems, where gold enrichment can reach several percent. However, many details on the nature of the hyperenrichment mechanism remain unclear. Here we show a “self-purification” model that could explain the hyperenrichment of gold from nanoparticles to veinlets in deformed pyrite. The three-dimensional spatial relationship and coexistence of gold nanoparticles and veinlets indicate a direct transformation from the former to the latter in solid-state. Theoretical evaluation reveals that this transformation involves a thermodynamically favorable self-purification process. We thus propose that deformation/thermo drives the transport of gold nanoparticles towards veinlets in pyrite through atomic diffusion. This deformation/thermo-driven model is applicable to any deformed nano-gold-bearing pyrite and explains how solid-state transport can effectively concentrate gold to a very high grade. Similar mechanisms may have broad implications in both ore-forming and beneficiation processes.

Understanding the diffusive transport of nanoparticles in agarose hydrogels

The enhanced delivery of nanoparticle (NP) drugs in the human system is a revolutionary approach for various diseases, e.g., cancer therapy, in which nanoparticle diffusion is one of the main routes of transport. The diffusive transport of nanoparticles in complex tumor microenvironments is intriguing, while its complete understanding is still nascent. Herein, we experimentally report a systematic study of nanoparticle diffusion in model porous media, i.e., agarose (AG) hydrogels. By examining both the time-averaged and ensemble-averaged mean square displacements (MSDs), the heterogeneous and spatially dependent mobility, as well as the significant hydrodynamic damping effect, are identified. The concept of ergodicity breaking (EB) is employed and correlated with the measured non-Gaussian displacement probability distributions (DPDs). The non-Gaussian profile is clarified to be attributed to the superposition of the coexisted Gaussian and non-Gaussian motions of the individual nanoparticles. Furthermore, the interstitial viscosity is found to only affect the probed heterogeneity temporarily but never modify the intrinsic non-ergodicity of the porous media. Our results give a comprehensive understanding of anomalous diffusion in spatially heterogeneous porous media and could provide the imperative knowledge to improve drug delivery in physiological media.

The roles of Fe oxyhydroxide coating and chemical aging in pyrogenic carbon nanoparticle transport in unsaturated porous media

Pyrogenic carbon (PyC) nanoparticles are widespread in the environment, which is important to global carbon cycle. PyC can exist for millions of years and undergo various environmental aging processes. To better understand the roles of Fe oxyhydroxides and water content on the pristine and aged PyC transport, adsorption and column experiments were conducted under three saturations (100%, 70%, and 40%) and three pH (5, 7, and 9) in both clean and Fe oxyhydroxide-coated sand. At high water saturations (100% and 70%), the mobility of both the pristine and aged PyC was enhanced at high pH due to strong electrostatic repulsion, and the aged PyC showed higher mobility than the pristine PyC because of its more negative charge and hydrophilic surface. The coating of Fe oxyhydroxides on sand decreased the mobility of both the pristine and aged PyC due to weak electrostatic repulsion, large specific surface area, and high roughness. At low saturation (40%), solution pH showed little effect on both the pristine and aged PyC mobility, and water saturation became the main factor affecting PyC mobility. Almost no pristine or aged PyC transported out from the Fe oxyhydroxide-coated sand column because Fe oxide increased the roughness of the sand surface, which led to a sharp increase in the air-water-solid interface and retention sites. This study demonstrates that water content, environmental aging, and Fe oxyhydroxides are significant in the fate and transport of PyC nanoparticles in environments, which provides a good fundamental understanding for the assessment of pyrogenic carbon application in environmental protection and carbon sequestration.

Multiscale Modelling of Nanoparticle Distribution in a Realistic Tumour Geometry Following Local Injection

Radiosensitizers have proven to be an effective method of improving radiotherapy outcomes, with the distribution of particles being a crucial element to delivering optimal treatment outcomes due to the short range of effect of these particles. Here we present a computational model for the transport of nanoparticles within the tumour, whereby the fluid velocity and particle deposition are obtained and used as input into the convection-diffusion equation to calculate the spatio-temporal concentration of the nanoparticles. The effect of particle surface charge and injection locations on the distribution of nanoparticle concentration within the interstitial fluid and deposited onto cell surfaces is assessed. The computational results demonstrate that negatively charged particles can achieve a more uniform distribution throughout the tumour as compared to uncharged or positively charged particles, with particle volume within the fluid being 100% of tumour volume and deposited particle volume 44.5%. In addition, varying the injection location from the end to the middle of the tumour caused a reduction in particle volume of almost 20% for negatively charged particles. In conclusion, radiosensitizing particles should be negatively charged to maximise their spread and penetration within the tumour. Choosing an appropriate injection location can further improve the distribution of these particles.

Electron microscopy study on the transport of lead oxide nanoparticles into brain structures following their subchronic intranasal administration in rats

White outbred female rats were exposed intranasally to 50-µL of suspension of lead oxide nanoparticles (PbO NPs) at a concentration of 0.5 mg/mL thrice a week during six weeks. A control group of rats was administered deionized water in similar volumes and conditions. The developed intoxication was manifested by altered biochemical and cytochemical parameters, as well as behavioral reactions of animals. Using electron microscopy and energy-dispersive X-ray spectroscopy techniques, we revealed deposition of PbO NPs in the olfactory bulb, but not in basal ganglia, and an increase in the number of axons with damage to the myelin sheath in the tissues of olfactory bulb and basal ganglia, changes in the ultrastructure of mitochondria of neurons in the tissues of olfactory bulb and basal ganglia of the brain, and differences in the mitochondrial profile of neurons in different regions of the rat brain. Our results collectively suggest that the central nervous system may be a target of low-level toxicity of lead oxide nanoparticles.

Flash drug release from nanoparticles accumulated in the targeted blood vessels facilitates the tumour treatment

Tumour microenvironment hinders nanoparticle transport deep into the tissue precluding thorough treatment of solid tumours and metastatic nodes. We introduce an anticancer drug delivery concept termed FlaRE (Flash Release in Endothelium), which represents alternative to the existing approaches based on enhanced permeability and retention effect. This approach relies on enhanced drug-loaded nanocarrier accumulation in vessels of the target tumour or metastasised organ, followed by a rapid release of encapsulated drug within tens of minutes. It leads to a gradient-driven permeation of the drug to the target tissue. This pharmaceutical delivery approach is predicted by theoretical modelling and validated experimentally using rationally designed MIL-101(Fe) metal-organic frameworks. Doxorubicin-loaded MIL-101 nanoparticles get swiftly trapped in the vasculature of the metastasised lungs, disassemble in the blood vessels within 15 minutes and release drug, which rapidly impregnates the organ. A significant improvement of the therapeutic outcome is demonstrated in animal models of early and late-stage B16-F1 melanoma metastases with 11-fold and 4.3-fold decrease of pulmonary melanoma nodes, respectively.

Modelling diffusive transport of particles interacting with slit nanopore walls: The case of fullerenes in toluene filled alumina pores

Accurate modeling of diffusive transport of nanoparticles across nanopores is a particularly challenging problem. The reason is that for such narrow pores the large surface-to-volume ratio amplifies the relevance of the nanoscopic details and of the effective interactions at the interface with pore walls. Close to the pore wall, there is no clear separation between the length scales associated with molecular interactions, layering of the solvent at the interface with the pore and the particle size. Therefore, the standard hydrodynamic arguments may not apply and alternative solutions to determining average transport coefficients need to be developed. We here address this problem by offering a multiscale ansatz that uses effective potentials determined from molecular dynamics simulations to parametrise a four state stochastic model for the positional configuration of the particle in the pore. This is in turn combined with diffusivities in the centre of the pore and at the pore wall to calculate the average diffusion constant. We apply this model to the diffusion of fullerenes in a toluene filled slit nanopore and calculate the mean diffusion coefficient as a function of the pore size. We show that the accuracy of our model is affected by the partial slip of the toluene on the pore wall.

Hopping Behavior Mediates the Anomalous Confined Diffusion of Nanoparticles in Porous Hydrogels.

Diffusion is an essential means of mass transport in porous materials such as hydrogels, which are appealing in various biomedical applications. Herein, we investigate the diffusive motion of nanoparticles (NPs) in porous hydrogels to provide a microscopic view of confined diffusion. Based on the mean square displacement from particle tracking experiments, we elucidate the anomalous diffusion dynamics of the embedded NPs and reveal the heterogeneous pore structures in hydrogels. The results demonstrate that diffusive NPs can intermittently escape from single pores through void connective pathways and exhibit non-Gaussian displacement probability distribution. We simulate this scenario using the Monte Carlo method and clarify the existence of hopping events in porous diffusion. The resultant anomalous diffusion can be fully depicted by combining the hopping mechanism and the hydrodynamic effect. Our results highlight the hopping behavior through the connective pathways and establish a hybrid model to predict NP transport in porous environments.

Brownian ratchet for directional nanoparticle transport by repetitive stretch-relaxation of DNA.

Brownian motion subject to a periodic and asymmetric potential can be biased by external, nonequilibrium fluctuations, leading to directional movement of Brownian particles. Sequence-dependent flexibility variation along double-stranded DNA has been proposed as a tool to develop periodic and asymmetric potentials for DNA binding of cationic nanoparticles with sizes below tens of nanometers. Here, we propose that repetitive stretching and relaxation of a long, double-stranded DNA molecule with periodic flexibility gradient can induce nonequilibrium fluctuations that tune the amplitude of asymmetric potentials for DNA-nanoparticle binding to result in directional transport of nanometer-sized particles along DNA. Realization of the proposed Brownian ratchet was proven by Brownian dynamics simulations of coarse-grained models of a single, long DNA molecule with flexibility variation and a cationic nanoparticle.

Uncloaking cell-impermeant gold nanorods via tumor microenvironmental cathepsin B facilitates cancer cell penetration and potent radiosensitization

Major impediments to conveyance of intravenously administered drugs to tumors are biofouling, opsonization, and rapid clearance from the circulation by macrophages and reticuloendothelial phagocytes. Cloaking nanoparticles with stealth epilayers partly overcomes these hurdles but it also foils interactions with tumor cells. Here, we describe the synthesis, characterization, and validation of smart gold nanorods (GNRs) that spontaneously transform from inert passengers in the blood stream to active cell-penetrating nanoparticles within tumors to potently sensitize tumors to radiation therapy. Intrinsically cationic and cell-penetrating GNRs were shielded from phagocytosis with a cloaking polyethylene glycol epilayer containing an intervening cleavable peptide. In the absence of an external trigger, this epilayer is clipped off by the tumor microenvironmental protease, cathepsin B, in colorectal cancers to uncloak and expose the free-circulating native unPEGylated GNR that is readily internalized by cancer cells and turn into immovable small clusters of GNRs. Selective uncloaking of GNRs in the tumor reduced off-target toxicity confirmed by hematologic, biochemical, and histopathological analysis of blood, serum, and normal organs, respectively. Subsequent irradiation led to significant tumor growth delay and improved survival of mice. By addressing multiple barriers to efficient transport and cellular internalization of nanoparticles, our results demonstrate that clinically meaningful radiosensitization can be achieved with rationally designed GNRs.

Aggregation behaviour of black carbon in aquatic solution: Effect of ionic strength and coexisting metals

Black Carbon (BC) is an important constituent of both aquatic and terrestrial environment, but also has several adverse effects on human health, aquatic life, and contributes to the global climate change. Thus, to understand the fate and transport of BC nanoparticles (NPs) in the environment, it's important to understand the colloidal stability or aggregation behaviour and factors affecting it, under various environmental conditions, including both aquatic and atmospheric. This study investigated the individual influence of ionic strengths, valence (Na+, Ca2+ and Mg2+), metals (Zn2+, Cu2+, Ni2+ and Cd2+), and organic substances (PO43− and Humic Acid: HA) on the effective diameter or hydrodynamic diameter and zeta potential of BC-NPs in aquatic systems. A dynamic light scattering (DLS) principle-based 90 Plus Particle Size Analyzer was used for measurements of BC particle size and zeta potential at varying ionic chemistry. The results showed that strong ionic strength promotes aggregation of BC-NPs till the repulsion forces become dominant due to more negative zeta potential. The Aggregation of BC-NPs was observed to be significantly dependent on the ionic valence, where divalent ions caused more aggregation than monovalent ions. Metal ions at higher concentration (around 1 mM) promoted the aggregation rate of BC-NPs, and Cu+2 dominated among all selected metals. Conversely, organic matter (PO43− and HA) tends to promote stabilisation of BC-NPs instead of aggregation. Though this study investigated individual effect of substances, influence of possible environmental combination of substances will help to get more clear idea.

Proton-Ion Conductivity in Hexagonal Wurtzite-Nanostructured ZnO Particles When Exposed to a Reducing Atmosphere

Zinc oxide (ZnO), a direct wide band gap semiconductor (≥3.30 eV), has widespread potential for applications in energy devices and related industries. The initial physical demonstration of ZnO in ceramic fuel cells (CFCs) gave a new view of developing high ionic conductivity for multifunctional semiconductor technology. However, in the present work, we successfully synthesized highly textured nanoparticles of ZnO using a hydrothermal method followed by sintering in a reducing atmosphere. The resultant ZnO materials as electrolytes showed efficient ionic conductivity (5.28 × 10−2 S cm−1) and an excellent power density of 520 mW cm−2 ± 5% at 550 °C for low-temperature ceramic fuel cells (LT-CFCs). The achievement of enhanced ionic conductivity without any external ions or cation doping in the CFC was anticipated, since there was a rare possibility of vacancies in the bulk ZnO structure to conduct oxygen ions or protons. Therefore, we found that laterally the surfaces of the ZnO nanoparticles could be textured to become oxygen-deficient when sintered in an H2 atmosphere, which suggests a special mechanism for effective ionic transport. Furthermore, experimental analyses such as SEM, XPS, UV–visible, and EIS methods were performed to analyze the changes in the structural properties and mechanism of ionic transport in ZnO nanoparticles. The presented work provides insights into a novel approach for developing high ionic conductivity in electrolytes in low-cost semiconductor oxides such as ZnO for energy storage and conversion devices.

Generic prediction of exocytosis rate constants by size-based surface energies of nanoparticles and cells

Nanotechnology brings benefits in fields such as biomedicine but nanoparticles (NPs) may also have adverse health effects. The effects of surface-modified NPs at the cellular level have major implications for both medicine and toxicology. Semi-empirical and mechanism-based models aid to understand the cellular transport of various NPs and its implications for quantitatively biological exposure while avoiding large-scale experiments. We hypothesized relationships between NPs-cellular elimination, surface functionality and elimination pathways by cells. Surface free energy components were used to characterize the transport of NPs onto membranes and with lipid vesicles, covering both influences by size and hydrophobicity of NPs. The model was built based on properties of neutral NPs and cells, defining Van de Waals forces, electrostatic forces and Lewis acid–base (polar) interactions between NPs and vesicles as well as between vesicles and cell membranes. We yielded a generic model for estimating exocytosis rate constants of various neutral NPs by cells based on the vesicle-transported exocytosis pathways. Our results indicate that most models are well fitted (R2 ranging from 0.61 to 0.98) and may provide good predictions of exocytosis rate constants for NPs with differing surface functionalities (prediction errors are within 2 times for macrophages). Exocytosis rates differ between cancerous cells with metastatic potential and non-cancerous cells. Our model provides a reference for cellular elimination of NPs, and intends for medical applications and risk assessment.

A mini-Review on Transportation and Fate of Silver Nanoparticles Released from Consumer Products: Ecological Risk Assessments

A mini-Review on Transportation and Fate of Silver Nanoparticles Released from Consumer Products: Ecological Risk Assessments