The elastic moduli estimation of the solid-water mixture

Conceptually, the undrained elastic constants estimated by the poroelasticity theory should be identical to the effective moduli of the two-phase composite of a porous material saturated with pore water. Here we show numerically that the undrained elastic constants determined by an effective moduli estimate are almost identical with those calculated by poroelasticity theory, and if pore shapes are not exactly known and the porosity is around 50%, estimating the elastic constant as the average value of its Voigt and Reuss bounds is reasonably accurate. This is the situation in bone and dentin, the materials that are our primary intended application. This result will hold for situations in which the totally enclosed water phase is constrained to small deformations by virtue of its confinement. Importantly, in this work we assume that water is an isotropic elastic solid with a shear modulus that is 10^?4 times the bulk modulus of the water. Note that it is compressible, but almost incompressible with a Poisson’s ratio of 0.4999.     

A restarting approach for the symmetric rank one update for unconstrained optimization

Two basic disadvantages of the symmetric rank one (SR1) update are that the SR1 update may not preserve positive definiteness when starting with a positive definite approximation and the SR1 update can be undefined. A simple remedy to these problems is to restart the update with the initial approximation, mostly the identity matrix, whenever these difficulties arise. However, numerical experience shows that restart with the identity matrix is not a good choice. Instead of using the identity matrix we used a positive multiple of the identity matrix. The used positive scaling factor is the optimal solution of the measure defined by the problem—maximize the determinant of the update subject to a bound of one on the largest eigenvalue. This measure is motivated by considering the volume of the symmetric difference of the two ellipsoids, which arise from the current and updated quadratic models in quasi-Newton methods. A replacement in the form of a positive multiple of the identity matrix is provided for the SR1 update when it is not positive definite or undefined. Our experiments indicate that with such simple initial scaling the possibility of an undefined update or the loss of positive definiteness for the SR1 method is avoided on all iterations.     

Self-assembled peptide architecture with a tooth shape: folding into shape

Molecular self-assembly is the spontaneous association of molecules into structured aggregates by which nature builds complex functional systems. While numerous examples have focused on 2D self-assembly to understand the underlying mechanism and mimic this process to create artificial nano- and microstructures, limited progress has been made toward 3D self-assembly on the molecular level. Here we show that a helical β-peptide foldamer, an artificial protein fragment, with well-defined secondary structure self-assembles to form an unprecedented 3D molecular architecture with a molar tooth shape in a controlled manner in aqueous solution. Powder X-ray diffraction analysis, combined with global optimization and Rietveld refinement, allowed us to propose its molecular arrangement. We found that four individual left-handed helical monomers constitute a right-handed superhelix in a unit cell of the assembly, similar to that found in the supercoiled structure of collagen.     

Mg(NTf2)2催化Friedl(a)nder缩合反应合成喹啉衍生物

以Mg(NTf2)2为催化剂,在室温由2-氨基芳基酮和α-亚甲基酮通过Friedl(a)nder缩合反应合成了喹啉衍生物.该法操作简便,反应条件温和,产率高,反应时间短.     

A Monomer‐Micelle Model for the Formation of Simple Taurocholate Micelles

A kinetic dialysis technique was used to validate a relationship between monomer taurocholate (TC) concentration and total TC concentration in TC solutions containing 0.15 M NaCl and 0.01 M buffer (pH = 7.4). Based on the experimental data and Mukerjee's equations, the number average degree and the weight average degree of TC aggregates were estimated to be nearly the same (～5), indicating that simple TC micelles were the only aggregates. Furthermore, the TC dimer concentration was quantified to be negligible. According to the validated relationship, aggregation number of 5 for simple TC micelles, and the definition of critical micelle concentration (CMC), a modified monomer‐micelle model was used for describing simple TC micelle formation. Moreover, the CMC value was estimated to be ～6.3 mM, which is consistent with the reported value of ～6.0 mM.     

o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization

The Suzuki-coupling reaction of 2-(dihydroxyboryl)-3,4-dimethyl-2-cyclopenten-1-one and 2-(dihydroxyboryl)-3-methyl-2-cyclopenten-1-one with 2-bromoaniline derivatives affords cyclopentenone compounds from which cyclopentadiene compounds, 4,6-R'(2)-2-(2,5-Me2C5H3)C6H2NH2 and 4,6-R'(2)-2-(2,3,5-Me3C5H2)C6H2NH2 are prepared. After sulfonation of the -NH2 group with p-TsCl, metallation is carried out by successive addition of Ti(NMe2)4 and Me2SiCl2 affording o-phenylene-bridged Cp/sulfonamido titanium dichloride complexes, [4,6-R'(2)-2-(2,5-Me2C5H2)C6H2NSO2C6H4CH3)]TiCl2 (R'=H, ; R'=Me, ; R'=F, ) and [4,6-R'(2)-2-(2,3,5-Me3C5H)C6H2NSO2C6H4CH3)]TiCl2 (R'=H, ; R'=Me, ; R'=F, ). The molecular structures of and [2-(2,5-Me2C5H2)C6H4NSO2C6H4CH3)]Ti(NMe2)2 are determined by X-ray crystallography. The Cp(centroid)-Ti-N angle in is smaller (100.90 degrees) than that observed for the CGC (constrained-geometry catalyst), [Me2Si(eta5-Me4Cp)(NtBu)]TiCl2 (107.6 degrees) indicating a more "constrained feature" in than in the CGC. Complex shows the highest activity among the newly prepared complexes in ethylene/1-octene copolymerization but it is slightly inferior to the CGC in terms of activity, comonomer-incorporation ability, and molecular weight of the obtained polymers.     

Hyperelliptic curves over of every -rank without extra automorphisms

We prove that for any pair of integers such that or 0$">, there exists a (hyper)elliptic curve over of genus and -rank whose automorphism group consists of only identity and the (hyper)elliptic involution. As an application, we prove the existence of principally polarized abelian varieties over of dimension and -rank such that .

     

Propagation of shear waves in a poroelastic layer constrained between two elastic layers

In this paper, we investigated the propagation of shear waves in a transversely isotropic poroelastic layer constrained between two elastic layers. Following Biot’s theory, the dispersion equation for shear waves in this structure was derived. The numerical values on the dimensionless phase velocities are calculated and presented graphically to illustrate the dependences upon geometry, anisotropy and porosity comparatively. It is observed that the phase velocities increase with the increase of the porosity and the decrease of the anisotropy. In addition, the geometry in this structure has a significant effect on the phase velocity of the shear waves.     

Low-resistance Cr/Al Ohmic contacts to N-polar n-type GaN for high-performance vertical light-emitting diodes

We investigated the electrical properties of Cr(30 nm)/Al(200 nm) contacts to N-polar n-type GaN for high-performance vertical light-emitting diodes and compare them with those of Ti(30 nm)/Al(200 nm) contacts. Before annealing, both the samples show ohmic behaviors with a contact resistivity of 1.9-2.3 × 10⁻⁴ Ωcm². Upon annealing at 250 °C for 1 min in N₂ ambient, the Ti/Al contacts become non-ohmic, while the Cr/Al contacts remain ohmic with a contact resistivity of 1.4 × 10⁻³ Ωcm². Based on X-ray photoemission spectroscopy and secondary ion mass spectrometry results, ohmic formation and degradation mechanisms are briefly described and discussed.