Electronic structures, vibrational and thermochemical properties of neutral and charged niobium clusters Nb(n), n = 7-12

Geometric and electronic structures, vibrational properties, and relative stabilities of niobium clusters Nb(n), n = 7-12, are studied using both DFT (BPW91 and M06 functionals) and CCSD(T) calculations with the cc-pVnZ-PP basis set. In each cluster, various lower-lying states are very close in energy in such a way that the ground state cannot be unambiguously established by DFT computations. Nb clusters tend to prefer the lowest possible spin state as the ground state, except for Nb(12) ((3)A(g)). The optimal structure of the cluster at a certain size does not simply grow from that of the smaller one by adding an atom randomly. Instead, the Nb clusters prefer a close-packed growth behavior. Nb(10) has a spherically aromatic character, high chemical hardness and large HOMO-LUMO gap. Electron affinities, ionization energies, binding energy per atom, and the stepwise dissociation energies are evaluated. Energetic properties exhibit odd-even oscillations. Comparison with experimental values shows that both BPW91 and M06 functionals are reliable in predicting the EA and IE values, but the BPW91 is deficient in predicting the binding and dissociation energies. We re-examine in particular the experimental far IR spectra previously recorded using the IR-MPD and free electron laser spectrometric techniques and propose novel assignments for Nb(7) and Nb(9) systems. The IR spectra of the anions are also predicted.     

Common variants at the promoter region of the APOM confer a risk of rheumatoid arthritis

Although the genetic component in the etiology of rheumatoid arthritis (RA) has been consistently suggested, many novel genetic loci remain to uncover. To identify RA risk loci, we performed a genome-wide association study (GWAS) with 100 RA cases and 600 controls using Affymetrix SNP array 5.0. The candidate risk locus (APOM gene) was re-sequenced to discover novel promoter and coding variants in a group of the subjects. Replication was performed with the independent case-control set comprising of 578 RAs and 711 controls. Through GWAS, we identified a novel SNP associated with RA at the APOM gene in the MHC class III region on 6p21.33 (rs805297, odds ratio (OR) = 2.28, P = 5.20 × 10-7). Three more polymorphisms were identified at the promoter region of the APOM by the re-sequencing. For the replication, we genotyped the four SNP loci in the independent case-control set. The association of rs805297 identified by GWAS was successfully replicated (OR = 1.40, P = 6.65 × 10-5). The association became more significant in the combined analysis of discovery and replication sets (OR = 1.56, P = 2.73 × 10-10). The individuals with the rs805297 risk allele (A) at the promoter region showed a significantly lower level of APOM expression compared with those with the protective allele (C) homozygote. In the logistic regressions by the phenotype status, the homozygote risk genotype (A/A) consistently showed higher ORs than the heterozygote one (A/C) for the phenotype-positive RAs. These results indicate that APOM promoter polymorphisms are significantly associated with the susceptibility to RA.     

Electrochemical preparation and magnetic properties of submicron Co x Pb1−x dendrites

Magnetic dendrites of Co _x Pb_1−x were fabricated through potentiostatic electrochemical deposition on Cu substrates in boric acid solution at room temperature. The as-deposited dendrites were determined by scanning electron microscopy (SEM), X-ray diffraction (XRD), transmission electron microscopy (TEM), electrodeposition (ED), and energy dispersive X-ray spectroscopy (EDS). SEM results indicate that the Co _x Pb_1−x dendrites are highly symmetrical in structures. The diameters of the branches are about 50 ~ 200 nm, and the backbones are continuous with lengths up to about 10 μm. XRD patterns show that the as-deposited dendrites are solid solutions. The annealing treatment can result in the recrystallization of these metastable alloys into two separate phases. TEM, ED, and EDS results also reveal that the backbones and the branches of the dendrites are composed of different amounts of cobalt. Magnetic measurements confirm that the as-deposited Co _x Pb_1−x dendrites have a softly ferromagnetic behavior, and a small coercive force (about 80 Oe). Also the saturation magnetizations of the Co _x Pb_1−x dendrites decrease rapidly with the temperature increasing.     

Combination of fluid and solid mechanical stresses contribute to cell death and detachment in a microfluidic alveolar model

Studies using this micro-system demonstrated significant morphological differences between alveolar epithelial cells (transformed human alveolar epithelial cell line, A549 and primary murine alveolar epithelial cells, AECs) exposed to combination of solid mechanical and surface-tension stresses (cyclic propagation of air-liquid interface and wall stretch) compared to cell populations exposed solely to cyclic stretch. We have also measured significant differences in both cell death and cell detachment rates in cell monolayers experiencing combination of stresses. This research describes new tools for studying the combined effects of fluid mechanical and solid mechanical stress on alveolar cells. It also highlights the role that surface tension forces may play in the development of clinical pathology, especially under conditions of surfactant dysfunction. The results support the need for further research and improved understanding on techniques to reduce and eliminate fluid stresses in clinical settings.     

Ginzburg–Landau Vortices Driven by the Landau–Lifshitz–Gilbert Equation

A simplified model for the energy of the magnetization of a thin ferromagnetic film gives rise to a version of the theory of Ginzburg–Landau vortices for sphere-valued maps. In particular, we have the development of vortices as a certain parameter tends to 0. The dynamics of the magnetization are ruled by the Landau–Lifshitz–Gilbert equation, which combines characteristic properties of a nonlinear Schrödinger equation and a gradient flow. This paper studies the motion of the vortex centers under this evolution equation.     

Size-dependent heterogeneity benefits the mechanical performance of bone

Heterogeneity of biological materials, such as bone, tooth, and mollusc shells, plays a key role in determining their mechanical performance (e.g. the strength, damage tolerance, etc.). Here, we quantify heterogeneities in elasticity and inelasticity of bovine cortical bone between 100 nm and a few microns and identify a characteristic length scale (λ_c) of approximately 200 nm. Below λ_c the mechanical heterogeneity of bone is pronounced and exhibits a strong nonlinear size-dependence, while above λ_c the heterogeneity is much less. Such size-dependent heterogeneity benefits the mechanical performance of bone since it not only promotes the energy dissipation at nanoscale, but also suppresses heterogeneity-induced stress concentration and strain localization at larger length scales. This is one of the possible mechanisms functioning at multiple length scales that make bone a well-designed tough natural material. Utilizing experimentally measured data, systematic computational simulations were carried out, showing that the heterogeneity in inelasticity, rather than elasticity, plays a dominant role in promoting energy dissipation during deformation. Possible parameters that determine the inelasticity heterogeneity (e.g. mean value and standard deviation of heterogeneous yield stress) and therefore affect energy dissipation are investigated under typical deformation modes of bone. The analysis presented suggests that there exists an optimum ratio of macroscopic strength to elastic modulus for improving energy dissipation under tension. All these findings are of great value to the design and synthesis of improved bio-inspired composites.     

超球Bloch空间上的有界加权复合算子

本文证明了高维超球Bloch空间上的加权复合算子成为有界算子的一个充分且必要的条件.     

On the simpleness of zeros of Stokes multipliers

The aim of this paper is to discuss the simpleness of zeros of Stokes multipliers associated with the differential equation -Φ^″(X)+W(X)Φ(X)=0, where W(X)=X^m+a₁X^m-1+?+a_m is a real monic polynomial. We show that, under a suitable hypothesis on the coefficients a_k, all the zeros of the Stokes multipliers are simple.     

Asymptotic Behavior of Solutions to a Class of Systems of Delay Differential Equations

The authors investigate the asymptotic behavior of solutions to a class of systems of delay differential equations. It is shown that every bounded solution of such a class of systems tends to a constant vector as t→∞. Our results improve and extend some corresponding ones already known.