Mass Transfer from Mobile to Immobile Regions in Irregularly Shaped Micro-Channels at Low Reynolds Number.

Transient mass transfer in rough-walled micro-channels was investigated experimentally. We conducted experiments using rough-walled channels with various irregularities at small Reynolds number conditions. Mass transfer in the mainstream (mobile region) and dead water region (immobile region) were quantified using an image analysis technique based on absorption photometry. The experimental results showed that the solute dispersion in the mobile region was influenced by the irregular shape of the channel wall complicatedly. In contrast, mass transfer in the immobile region occurred by molecular diffusion independently on the wall roughness in our experimental conditions. The irregular shape of channel wall may enhance the mass transfer in mobile region by distorting the velocity distribution (Togi et al., 2020), while the solute redistribution to immobile region may suppress it in streamwise direction, just on a longer time scale. We developed a mass transfer model analogous to Mobile-Immobile model (MIM model) proposed by previous studies. The concept of the model is the same as the previous study (Zhou et al., 2019) and the coefficients of the model describing mass transfer in each region were quantified from the experimental results as functions of geometric characteristics of the rough-walled channel. In addition, mass transfer coefficient from mobile to immobile regions were derived mathematically based on the experimental results. The MIM model with the coefficients derived in this study well describes solute dispersion in variously shaped irregular channels quantitatively.

Effect of terminal velocities on macroscopic and microscopic hydrodynamic mixing of stratified suspensions.

We performed numerical experiments to investigate the mixing of stratified suspensions composed of different particle types by gravitational sedimentation. The mixing process is controlled by a dimensionless group Y_{m}∼U_{f}/U_{St1}, where U_{f} is a typical velocity of a macroscopic sedimenting finger and U_{St1} is the Stokes settling velocity of a single spherical particle in the upper suspension. The effects of components of Y_{m}, in particular, terminal velocities of particles, were investigated. For Y_{m}=100, no large difference was observed for the difference of components of Y_{m}, and it was confirmed that the mixing rate is determined by Y_{m}, because macroscopic (vessel-scale) mixing is dominant for large Y_{m}. For Y_{m}=5, macroscopic mixing and microscopic (individual particle-level) mixing due to the particle terminal velocity difference are of the same order, while completely different mixing patterns were observed for positive, zero, and negative terminal velocity differences: macroscopic mixing is promoted by the increase in apparent density due to microscopic mixing, small macroscopic mixing is suppressed by the individual particle settling, and jetting mixing occurs owing to pure liquid layer formation.

Structural transition of various-sized sphere-platelet mixtures.

Monte Carlo simulations on the structural change of hard sphere-platelet mixtures were performed to investigate the effect of particle size. We quantitatively analyzed local equilibrium structures of sphere-platelet mixtures with varying size ratios under various sphere and platelet density conditions. Based on the simulation results, we investigated the structural transitions such as isotropic to anisotropic, clustering, and so on. When a small amount of small-sized sphere is added to a large-sized platelet system, the mixture structure transitions from isotropic to nematic ones as the platelet number density increases. On the other hand, the platelet forms clusters with the addition of a large number of spheres. In a small platelet-large sphere system, the spheres form aggregates by increasing platelet density instead. The platelet and spherical particles exhibit different structural transitions depending on the size and density. In the limit of small and large size ratios, the structures of the platelet-sphere mixture obtained from the Monte Carlo simulation are close to those shown by previous theoretical and experimental studies, respectively. Because the primary actor shifts from sphere to platelet as the size ratio changes, the transition boundary shifts continuously. When the size ratio is close to unity, the most complicated behavior is observed, with both the platelet and sphere simultaneously acting the leading part.

Macroscopic and microscopic hydrodynamic mixing of stratified suspensions.

We conducted numerical experiments to investigate the mixing of stratified suspensions containing different types of particles. We used a point-force two-way coupling method. We studied the mixing behavior of stratified suspensions and we discovered two types of mixing: microscopic (individual-particle-level) and macroscopic (vessel-scale) collective mixing. In addition, we examined the vertical mixing speed of the stratified suspension. We used a simple theoretical model to analyze the fingering settling velocity. Then we introduced a nondimensional number representing the difference in collectivities of the upper and lower suspensions while accounting for particle terminal velocities. We discovered that the proposed nondimensional parameter has a negative sign that distinguishes the mixing form of only microscopic individual-particle-level mixing and a positive value that predicts the speed of macroscopic collective mixing of stratified suspensions.

Possibility of non-Fickian mixing at concentration interface between stratified suspensions.

HYPOTHESIS: Relative motion of micro-sized particles suspended in liquid is governed by hydrodynamic effect, in contrast to nano-sized particle suspension in which thermal effect is significant. As a result, the mixing behavior of stratified suspensions with micro-sized particles is totally different from those obeying Fick's diffusion law for nano-sized particles. Such a "non-Fickian" mixing of micro-sized particles is determined not only by the concentration difference but also the physical properties of suspensions. EXPERIMENTS: We conducted an experimental study of gravitational settling of stratified suspensions of micro-sized particles with concentration gradients opposed to gravity. We also performed point-force-type numerical simulations under the same conditions as those in the experiment. Particularly, we focused on the relative motion of particles near the concentration interface, which is an apparent interface between the upper and the lower suspensions having different concentrations. FINDINGS: The experimental and numerical results indicate that, if the number density of particles in suspension is sufficient, the concentration interface seemingly behaves immiscibly and the interface prevents particle mixing. However, a small number of particles cannot maintain the seal of the concentration interface then demonstrates miscible behavior. The mixing mechanism of the suspended particles at the concentration interface is strongly related to the miscible and immiscible characteristics of the interface.

Strength Deterioration of Nonfractal Particle Aggregates in Simple Shear Flow.

The restructuring of a nonfractal particle aggregate in simple shear flow was simulated by a Stokesian dynamics approach. We studied the deformation and the resultant strength change of aggregates by the surrounding flow under the condition that the cohesive strength of an aggregate is comparable to the fluid stress. In particular, we focused on how the aggregate deteriorates because of the fluid stress exerted on it periodically. The image analysis was applied to visualized simulation results for the quantitative estimation of irreversible change in an aggregate configuration. We examined the structural change in the aggregate from various perspectives, i.e., the outer shape, the internal strength, and the fluid stress on the surface of the aggregate. The simulation results show that the aggregate gets squashed after an intricate restructuring process and it elongates along with the streamline as experimentally observed in the previous study. Regarding the internal strength, the weakest point locally develops in the aggregate by periodically varying the fluid stress. A combination of rotation and elongation effects of shear flow is complexly involved in the deterioration of the internal strength of the aggregate.

Structural basis for PPARγ transactivation by endocrine-disrupting organotin compounds.

Organotin compounds such as triphenyltin (TPT) and tributyltin (TBT) act as endocrine disruptors through the peroxisome proliferator-activated receptor γ (PPARγ) signaling pathway. We recently found that TPT is a particularly strong agonist of PPARγ. To elucidate the mechanism underlying organotin-dependent PPARγ activation, we here analyzed the interactions of PPARγ ligand-binding domain (LBD) with TPT and TBT by using X-ray crystallography and mass spectroscopy in conjunction with cell-based activity assays. Crystal structures of PPARγ-LBD/TBT and PPARγ-LBD/TPT complexes were determined at 1.95 Å and 1.89 Å, respectively. Specific binding of organotins is achieved through non-covalent ionic interactions between the sulfur atom of Cys285 and the tin atom. Comparisons of the determined structures suggest that the strong activity of TPT arises through interactions with helix 12 of LBD primarily via π-π interactions. Our findings elucidate the structural basis of PPARγ activation by TPT.

Effect of different soil layers on porewater to remediate acidic surface environment at a close mine site.

This paper describes the chemistry of porewater when constructing different soil layers on acidic weathered rock of a closed mine to remediate the surface environment. Three cases were set on a flat surface of the site, all under different layer systems. Case 1 was only composed of weathered rocks. A top neutralization layer was constructed on the weathered rocks in case 2, whereas both an upper low-permeable and middle neutralization layers were constructed on the weathered rocks in case 3. The low-permeable layer of 30 cm thick consists of clay, and the neutralization layer of 30 cm thick consists of the mixture of the weathered rock and calcium carbonate as a neutralizer. Porewater sampling systems and soil sensors to measure temperature, water content, and electrical conductivity were set at different depths. In case 1, steadily high concentrations of heavy metals were observed regardless of the depth, and the pH ranged from 2 to 4. In cases 2 and 3, a dramatic decrease in concentrations of heavy metals was observed, even below the neutralization layer. For both cases, pH values were circumneutral. There were no significant seasonable changes in heavy metals concentrations and pH of porewater by considering the temperature and precipitation. In addition, the water content of the layers in case 3 fluctuated more mildly than that in cases 1 and 2, indicating that the low-permeable layer reduced the rate of infiltration. Therefore, a significant reduction in the load of heavy metals released from the site can be achieved by both implementing neutralization and low-permeable layers.

Structure-activity relationship of marinostatin, a serine protease inhibitor isolated from a marine organism.

A 12-residue MST isolated from a marine organism is a potent serine protease inhibitor that has a double cyclic structure composed of two ester linkages formed between the beta-hydroxyl and beta-carboxyl groups, Thr(3)-Asp(9) and Ser(8)-Asp(11). MST was synthesized by a regioselective esterification procedure employing two sets of orthogonally removable side-chain protecting groups for the Asp and Ser/Thr residues. In the MST molecule, there were no significant changes observed in yield by changing the order of esterification. SAR study of MST revealed that the minimum required structure for expressing the inhibitory activity is the sequence (1-9) in a monocyclic structure where Pro(7) located in the ring plays a crucial role in keeping the structural rigidity. By applying the structural motif of MST, we rationally designed protease inhibitory specificities that differ from those of the natural product.

Diffusive behavior of a thin particle layer in fluid by hydrodynamic interaction.

The hydrodynamic effect on a thin particle layer, which moves relative to fluid by an external force, is investigated theoretically and numerically. Because of the presence of layer ends, the arrangement of particles in the layer is anisotropic and the drag force acting on them varies according to the position. The resulting relative motion of particles brings about the spreading of the layer. We have studied such a diffusive behavior of particle layers, which have various internal arrangements. We have assumed a non-Brownian system in which the particles move relatively owing to only the variance of hydrodynamic force. The hydrodynamic force on each particle was calculated by Stokesian dynamics approach. The results show that the relative motion of particles is greatly influenced by the internal arrangement of the particle layer. In consequence, the overall diffusive motion of particle layer varies with the arrangement even if the particle concentration is similar. It is in contrast to the gradient diffusion of Brownian particles.

Solution structure of the variable-type domain of the receptor for advanced glycation end products: new insight into AGE-RAGE interaction.

Diabetes is defined by chronic hyperglycemia due to deficiency in insulin action. It has been found that the amount of advanced glycation end products (AGE) from the Maillard reaction between proteins and sugar molecules increases in blood of diabetic patients and furthermore that AGE binding to their cell surface receptor (RAGE) triggers both macrovascular and microvascular impairments to cause diabetic complications. Due to the clinical significance of the vascular complications, RAGE is currently a focus as an attractive target for drug discovery of candidates which interfere with AGE-RAGE binding to prevent the subsequent intracellular signaling related to pathogenical effects. Here, we determined the three-dimensional structure of the recombinant AGE-binding domain by using multidimensional heteronuclear NMR spectroscopy and showed that the domain assumes a structure similar to those of other immunoglobulin V-type domains. The site-directed mutagenesis studies identified the basic amino acids which play a key role in the AGE binding activities. Our results obtained from this study provide new insight into AGE-RAGE interaction.

Wave propagation in a dynamic system of soft granular materials.

The wave propagation in a dynamic system of soft elastic granules is investigated theoretically and numerically. The perturbation theory for simple fluids is applied to the elastic granular system in order to relate the elastic properties of individual particles with the "thermodynamic" quantities of the system. The properties of a piston-driven shock are derived from the obtained thermodynamic relations and the Rankine-Hugoniot relations. The discrete particle simulation of a piston-driven shock wave in a granular system is performed by the discrete element method. From theoretical and numerical results, the effect of the elastic properties of a particle on shock properties is shown quantitatively. Owing to the finite duration of the interparticle contact, the compressibility factor of the elastic granular system decreases in comparison with that of the hard-sphere system. In addition, the relation between the internal energy and the granular temperature changes due to the energy preserved with the elastic deformation of the particle. Consequently, the shock properties in soft particles are considerably different from those in the hard-sphere system. We also show the theoretical prediction of the speed of sound in soft particles and discuss the effect of the elasticity on an acoustic wave.