Grid‐independent depth‐averaged simulations with a collocated unstructured finite volume scheme

In this article, the depth‐averaged transport equations are written in a new way so that it is possible to solve the transport equations for very small water depths. Variables are interpolated into the cell face with two different schemes and, the schemes are compared in terms of computational cost and accuracy. The bed source terms are computed using two different assumptions. The effect of these assumptions on numerical simulations is then investigated. Solutions of transport equations on different types of unstructured triangular grids are compared and, an appropriate choice of grid is suggested. Copyright © 2011 John Wiley & Sons, Ltd.     

One‐Pot Synthesis of Pentaalkyl 7‐[(Alkylamino)carbonyl]‐2‐oxa‐1‐azabicyclo[3.2.0]hept‐3‐ene‐3,4,5,6,7‐pentacarboxylate

Dialkyl acetylenedicarboxylates react with alkyl 2‐nitroethanoates in the presence of alkyl isocyanides in a one‐pot reaction to afford the title compounds in 78–90% yield.     

Deuteron electromagnetic form factors and tensor polarization observables in the framework of the hard-wall AdS/QCD model

We study the electromagnetic form factors and tensor polarization observables of the deuteron in the framework of the hard-wall AdS/QCD model. We find a profile function for the bulk twist \begin{document}$\tau=6$\end{document} vector field, which describes the deuteron on the boundary and fix the infrared boundary cut-off of AdS space in accordance with the ground state mass of the deuteron. We obtain the deuteron charge monopole, quadrupole, and magnetic dipole form factors and tensor polarization observables from the bulk Lagrangians for the deuteron and photon field interactions. We plot the momentum transfer dependence of the form factors and tensor polarization observables and compare our numerical results with those in the soft-wall model and experimental data.     

Self-assembly of tissue transglutaminase into amyloid-like fibrils using physiological concentration of Ca2+

Tissue transglutaminase (tTG or TG2) is a member of the transglutaminase family that catalyzes calcium dependent formation of isopeptide bonds. It has been shown that the expression of TG2 is elevated in neurodegenerative diseases such as Parkinson's, Huntington's, and Alzheimer's. We have investigated the self-assembly of TG2 in vitro. First, using software, hot spots, which are prone for aggregation, were identified in domain 2 of the enzyme. Next we expressed and purified recombinant TG2 and its truncated version that contains only the catalytic domain, and examined their amyloidogenic behavior in various conditions including different temperatures and pHs, in the presence of metal ions and Guanosine triphosphate (GTP). To analyze various stages leading to TG2 fibrillation, we employed various techniques including Thioflavin T (ThT) binding assay, Congo-Red, birefringence, Circular Dichroism (CD), 8-anilino-1-naphthalene sulfonic acid (ANS) binding, Transmission Electron Microscopy (TEM) and Atomic Force Microscopy (AFM). Our results indicated that using low concentrations of Ca(2+), TG2 self-assembled into amyloid-like fibrils; this self-assembly occurred at the physiological temperature (37 °C) and at a higher temperature (57 °C). The truncated version of TG2 (domain 2) also forms amyloid-like fibrils only in the presence of Ca(2+). Because amyloid formation has occurred with domain 2 alone where no enzymatic activity was shown, self-cross-linking by the enzyme was ruled out as a mechanism of amyloid induction. The self-assembly of TG2 was not significant with magnesium and zinc ions, indicating specificity of the self-assembly for calcium ions. The calcium role in self-assembly of TG2 into amyloid may be extended to other proteins with similar biophysical properties to produce novel biomaterials.     

Interface-induced anisotropy and the nematic glass/gel state in jammed aqueous Laponite suspensions

Aqueous suspensions of Laponite, a system composed of disklike nanoparticles, are found to develop optical birefringence over several days, well after the suspensions solidified because of jamming. The optical anisotropy is particularly enhanced near the air-Laponite suspension interface over length scales of several millimeters, which is beyond 5 orders of magnitude larger than the particle length scale, suggestive of large-scale ordering influenced by the interface. The orientational order increases with time and is always greater for higher concentration of salt, higher concentration of Laponite, and higher temperatures of the suspension. Although weakly birefringent, Laponite suspensions covered by paraffin oil do not show any enhancement in optical anisotropy near the interface compared to that in the bulk. We suggest that the expedited structure formation near the air interface propagating progressively inside the sample is responsible for the observed behavior. We discuss the observed nematic ordering in the context of glass-like and gel-like microstructure associated with aqueous Laponite suspensions.     

Quasirecognition by prime graph of finite simple groups L n (2) and U n (2)

Let G be a finite group. The prime graph ??(G) of G is defined as follows. The vertices of ??(G) are the primes dividing the order of G and two distinct vertices p, p?? are joined by an edge if G has an element of order pp??. Let L=L _n (2) or U _n (2), where n?R17. We prove that L is quasirecognizable by prime graph, i.e. if G is a finite group such that ??(G)=??(L), then G has a unique nonabelian composition factor isomorphic to L. As a consequence of our result we give a new proof for the recognition by element orders of L _n (2). Also we conclude that the simple group U _n (2) is quasirecognizable by element orders.     

Mathematical modeling and numerical simulation of CO2 transport through hollow-fiber membranes

Chemical absorption of carbon dioxide was studied theoretically using hollow-fiber membrane contactors in this work. A 2D mathematical model was developed to study CO₂ transport through hollow-fiber membrane contactors. The model considers axial and radial diffusion in the membrane contactor. It also considers convection in the tube and shell side with chemical reaction. The finite element method (FEM) was used to solve the model equations. Modeling predictions were validated with the experimental data obtained from literature for CO₂ absorption in amine aqueous solutions as solvent. The modeling predictions were in good agreement with the experimental data for different values of gas and liquid velocities. The liquid solvents considered for this study include aqueous solutions of monoethanolamine (MEA), diethanolamine (DEA), N-methyldiethanolamine (MDEA), 2-amino-2-methyl-1-propanol (AMP) and potassium carbonate (K₂CO₃). The simulation results indicated that amine aqueous solutions were better than K₂CO₃ aqueous solution for CO₂ absorption. Also simulation results revealed that the removal of CO₂ with aqueous solution of MEA was the highest among the amines solvents. The hollow-fiber membrane contactors showed a great potential in the area of CO₂ absorption.     

Fast electron beam–plasma interaction in single-walled carbon nanotubes

A theoretical study on the plasmon-polariton modes coupled with a fast electron beam inside a metallic single-walled carbon nanotube is presented. The Maxwell’s equations coupled with a linearized hydrodynamic model for the nanotube’s charge oscillations are used. By considering the electron beam effects, general expression of dispersion relation of electromagnetic modes on nanotube’s surface is obtained. It is shown numerically that by considering the electron beam effects, the polariton frequency shifts to lower values.