First-principles study on the intermediate compounds of LiBH4_4

We report the results of the first-principles calculation on the intermediate compounds of LiBH$_4$. The stability of LiB$_3$H$_8$ and Li$_2$B$_n$H$_n (n=5-12)$ has been examined with the ultrasoft pseudopotential method based on the density functional theory. Theoretical prediction has suggested that monoclinic Li$_2$B$_{12}$H$_{12}$ is the most stable among the candidate materials. We propose the following hydriding/dehydriding process of LiBH$_4$ via this intermediate compound : LiBH$_4 \leftrightarrow {1/12}$Li$_{2}$B$_{12}$H$_{12} + {5/6}$ LiH $+ {13/12}$H$_2 \leftrightarrow$LiH $+$ B $+ {3/2}$H$_2$. The hydrogen content and enthalpy of the first reaction are estimated to be 10 mass% and 56 kJ/mol H$_2$, respectively, and those of the second reaction are 4 mass% and 125 kJ/mol H$_2$. They are in good agreement with experimental results of the thermal desorption spectra of LiBH$_4$. Our calculation has predicted that the bending modes for the $\Gamma$-phonon frequencies of monoclinic Li$_2$B$_{12}$H$_{12}$ are lower than that of LiBH$_4$, while stretching modes are higher. These results are very useful for the experimental search and identification of possible intermediate compounds.Comment: 7 pages, 5 figures, submitted to PR

Different regulation of limb development by p63 transcript variants

The apical ectodermal ridge (AER), located at the distal end of each limb bud, is a key signaling center which controls outgrowth and patterning of the proximal-distal axis of the limb through secretion of various molecules. Fibroblast growth factors (FGFs), particularly Fgf8 and Fgf4, are representative molecules produced by AER cells, and essential to maintain the AER and cell proliferation in the underlying mesenchyme, meanwhile Jag2-Notch pathway negatively regulates the AER and limb development. p63, a transcription factor of the p53 family, is expressed in the AER and indispensable for limb formation. However, the underlying mechanisms and specific roles of p63 variants are unknown. Here, we quantified the expression of p63 variants in mouse limbs from embryonic day (E) 10.5 to E12.5, and found that DeltaNp63gamma was strongly expressed in limbs at all stages, while TAp63gamma expression was rapidly increased in the later stages. Fluorescence-activated cell sorting analysis of limb bud cells from reporter mouse embryos at E11.5 revealed that all variants were abundantly expressed in AER cells, and their expression was very low in mesenchymal cells. We then generated AER-specific p63 knockout mice by mating mice with a null and a flox allele of p63, and Msx2-Cre mice (Msx2-Cre;p63Delta/fl). Msx2-Cre;p63Delta/fl neonates showed limb malformation that was more obvious in distal elements. Expression of various AER-related genes was decreased in Msx2-Cre;p63Delta/fl limb buds and embryoid bodies formed by p63-knockdown induced pluripotent stem cells. Promoter analyses and chromatin immunoprecipitation assays demonstrated Fgf8 and Fgf4 as transcriptional targets of DeltaNp63gamma, and Jag2 as that of TAp63gamma. Furthermore, TAp63gamma overexpression exacerbated the phenotype of Msx2-Cre;p63Delta/fl mice. These data indicate that DeltaNp63 and TAp63 control limb development through transcriptional regulation of different target molecules with different roles in the AER. Our findings contribute to further understanding of the molecular network of limb development

Exact results of the mixed-spin Ising model on a decorated square lattice with two different decorating spins of integer magnitudes

The mixed-spin Ising model on a decorated square lattice with two different decorating spins of the integer magnitudes S_B = 1 and S_C = 2 placed on horizontal and vertical bonds of the lattice, respectively, is examined within an exact analytical approach based on the generalized decoration-iteration mapping transformation. Besides the ground-state analysis, finite-temperature properties of the system are also investigated in detail. The most interesting numerical result to emerge from our study relates to a striking critical behaviour of the spontaneously ordered 'quasi-1D' spin system. It was found that this quite remarkable spontaneous order arises when one sub-lattice of the decorating spins (either S_B or S_C) tends towards their 'non-magnetic' spin state S = 0 and the system becomes disordered only upon further single-ion anisotropy strengthening. The effect of single-ion anisotropy upon the temperature dependence of the total and sub-lattice magnetization is also particularly investigated.Comment: 17 pages, 6 figure

Intraguild predation of water scorpion Laccotrephes japonensis (Nepidae: Heteroptera)

Previous work on community structure of the invertebrate fauna of Japanese wetlands indicates the presence of intraguild predation between the heteropterans Laccotrephes japonensis (Nepidae) and Kirkaldyia deyrolli (Belostomatidae). We designed a series of experiments to understand the biotic interactions of several species of sympatric heteroptera and their shared prey. Adult Laccotrephes japonensis (Nepidae), first-instar nymph of Kirkaldyia (=Lethocerus) deyrolli (Belostomatidae), Hyla japonica tadpole, and fourth-instar nymph of Appasus japonicus (Belostomatidae) have been shown to be intraguild predator, intraguild prey, common prey, and prey of L. japonensis, respectively. To further understand the factors affecting prey preference by L. japonensis, we also examined the comparison of swimming speed in the three prey animals (K. deyrolli first-instar nymph, A. japonicus fourth-instar nymph, and H. japonica tadpole), and effects of prey animals on weight gain of L. japonensis adult. Despite there being no significant difference in weight gain or swimming speed of the three prey species, L. japonensis exhibited a strong preference for the 1st-instar nymph of K. deyrolli. We suggested that this may be evidence for one of elimination of a potential competitor, K. deyrolli, by L. japonensis through intraguild predation

Quantum-well states in ultrathin Ag(111) films deposited onto H-passivated Si(111)-(1x1) surfaces

Ag(111) films were deposited at room temperature onto H-passivated Si(111)-(1x1) substrates, and subsequently annealed at 300 C. An abrupt non-reactive Ag/Si interface is formed, and very uniform non-strained Ag(111) films of 6-12 monolayers have been grown. Angle resolved photoemission spectroscopy has been used to study the valence band electronic properties of these films. Well-defined Ag sp quantum-well states (QWS) have been observed at discrete energies between 0.5-2eV below the Fermi level, and their dispersions have been measured along the GammaK, GammaMM'and GammaL symmetry directions. QWS show a parabolic bidimensional dispersion, with in-plane effective mass of 0.38-0.50mo, along the GammaK and GammaMM' directions, whereas no dispersion has been found along the GammaL direction, indicating the low-dimensional electronic character of these states. The binding energy dependence of the QWS as a function of Ag film thickness has been analyzed in the framework of the phase accumulation model. According to this model, a reflectivity of 70% has been estimated for the Ag-sp states at the Ag/H/Si(111)-(1x1) interface.Comment: 6 pages, 6 figures, submitted to Phys. Rev.

Simple model of adsorption on external surface of carbon nanotubes: a new analytical approach basing on molecular simulation data

Nitrogen adsorption on carbon nanotubes is wide- ly studied because nitrogen adsorption isotherm measurement is a standard method applied for porosity characterization. A further reason is that carbon nanotubes are potential adsorbents for separation of nitrogen from oxygen in air. The study presented here describes the results of GCMC simulations of nitrogen (three site model) adsorption on single and multi walled closed nanotubes. The results obtained are described by a new adsorption isotherm model proposed in this study. The model can be treated as the tube analogue of the GAB isotherm taking into account the lateral adsorbate-adsorbate interactions. We show that the model describes the simulated data satisfactorily. Next this new approach is applied for a description of experimental data measured on different commercially available (and characterized using HRTEM) carbon nanotubes. We show that generally a quite good fit is observed and therefore it is suggested that the observed mechanism of adsorption in the studied materials is mainly determined by adsorption on tubes separated at large distances, so the tubes behave almost independently

On the possibility of magneto-structural correlations: detailed studies of di-nickel carboxylate complexes

A series of water-bridged dinickel complexes of the general formula [Ni<sub>2</sub>(μ<sub>2</sub>-OH<sub>2</sub>)(μ2- O<sub>2</sub>C<sup>t</sup>Bu)<sub>2</sub>(O<sub>2</sub>C<sup>t</sup>Bu)2(L)(L0)] (L = HO<sub>2</sub>C<sup>t</sup>Bu, L0 = HO<sub>2</sub>C<sup>t</sup>Bu (1), pyridine (2), 3-methylpyridine (4); L = L0 = pyridine (3), 3-methylpyridine (5)) has been synthesized and structurally characterized by X-ray crystallography. The magnetic properties have been probed by magnetometry and EPR spectroscopy, and detailed measurements show that the axial zero-field splitting, D, of the nickel(ii) ions is on the same order as the isotropic exchange interaction, J, between the nickel sites. The isotropic exchange interaction can be related to the angle between the nickel centers and the bridging water molecule, while the magnitude of D can be related to the coordination sphere at the nickel sites

Static black holes with a negative cosmological constant: Deformed horizon and anti-de Sitter boundaries

Using perturbative techniques, we investigate the existence and properties of a new static solution for the Einstein equation with a negative cosmological constant, which we call the deformed black hole. We derive a solution for a static and axisymmetric perturbation of the Schwarzschild-anti-de Sitter black hole that is regular in the range from the horizon to spacelike infinity. The key result is that this perturbation simultaneously deforms the two boundary surfaces--i.e., both the horizon and spacelike two-surface at infinity. Then we discuss the Abbott-Deser mass and the Ashtekar-Magnon one for the deformed black hole, and according to the Ashtekar-Magnon definition, we construct the thermodynamic first law of the deformed black hole. The first law has a correction term which can be interpreted as the work term that is necessary for the deformation of the boundary surfaces. Because the work term is negative, the horizon area of the deformed black hole becomes larger than that of the Schwarzschild-anti-de Sitter black hole, if compared under the same mass, indicating that the quasistatic deformation of the Schwarzschild-anti-de Sitter black hole may be compatible with the thermodynamic second law (i.e., the area theorem).Comment: 31 pages, 5 figures, one reference added, to be published in PR

Entanglement of Electrons Field-Emitted from a Superconductor

Under appropriate circumstances the electrons emitted from a superconducting tip can be entangled. We analyze these nonlocal correlations by studying the coincidences of the field-emitted electrons and show that electrons emitted in opposite directions violate Bell's inequality. We scrutinize the interplay between the bosonic nature of Cooper pairs and the fermionic nature of electrons. We further discuss the feasibility of our analysis in the light of present experimental capabilities.Comment: 5 pages, 3 figures, final versio