Phase Diagram of the BCC S=1/2 Heisenberg Antiferromagnet with First and Second Neighbor Exchange

We use linked-cluster series expansions, both at T=0 and high temperature, to analyse the phase structure of the spin-\half Heisenberg antiferromagnet with competing first and second-neighbor interactions on the 3-dimensional body-centred-cubic lattice. At zero temperature we find a first-order quantum phase transition at $J_2/J_1 \simeq 0.705 \pm 0.005$ between AF$_1$ (Ne\'el) and AF$_2$ ordered phases. The high temperature series yield quite accurate estimates of the bounding critical line for the AF$_1$ phase, and an apparent critical line for the AF$_2$ phase, with a bicritical point at $J_1/J_2\simeq 0.71$, $kT/J_1\simeq 0.34$. The possibility that this latter transition is first-order cannot be excluded.Comment: 10 pages, 4 figure

Optimization of Sample Preparation and Phloroglucinol Analysis of Marselan Grape Skin Proanthocyanidins using HPLC-DADESI- MS/MS

Proanthocyanidins are a group of oligomeric or polymeric flavan-3-ols that are highly significantcontributors to astringency in grapes and wines. An orthogonal L9(3)4 test was adopted to determine theoptimal extraction conditions and acid-catalysis cleavage of proanthocyanidins in the presence of excessphloroglucinol. The qualitative and quantitative analyses were done using HPLC-DAD-ESI-MS/MS. Theresults showed that the maximum extraction was obtained using 0.3 mol/L of HCl and 0.005 g of ascorbicacid with incubation at 70°C for 20 min. The precision and accuracy of this method were acceptable. Thecomposition of free flavan-3-ols and proanthocyanidins in the skins of ‘Marselan’ grapes (Vitis vinifera L.cv.) was investigated. (-)-Epigallocatechin was found to be the most abundant free flavan-3-ol monomerand terminal subunits, whereas the extension subunits were mainly (-)-epicatechin-3-O-gallate in the earlydevelopmental stages, and primarily (-)-epigallocatechin and (-)-epicatechin in the middle and late stages

Limits of the power of Tissue P systems with cell division

Tissue P systems generalize the membrane structure tree usual in original models of P systems to an arbitrary graph. Basic opera- tions in these systems are communication rules, enriched in some variants with cell division or cell separation. Several variants of tissue P systems were recently studied, together with the concept of uniform families of these systems. Their computational power was shown to range between P and NP ? co-NP , thus characterizing some interesting borderlines between tractability and intractability. In this paper we show that com- putational power of these uniform families in polynomial time is limited by the class PSPACE . This class characterizes the power of many clas- sical parallel computing model

Density functional theory calculations of adsorption-induced surface stress changes

Density functional theory calculations of adsorbate-induced surface stress changes have been performed for a number of adsorbate and overlayer systems for which experimental data exists, namely: oxygen and sulphur adsorption on Ni(1 0 0); oxygen adsorption on W(1 1 0); pseudomorphic growth of Ni on Cu(1 0 0) and of Fe on W(1 1 0); oxygen adsorption on a 5 ML pseudomorphic film of Ni(1 0 0) grown on Cu(1 0 0). The theoretical calculations reproduce all the qualitative features of the experimental data, but there are some significant quantitative differences, most notably for the two atomic adsorbates on the bulk Ni(1 0 0) surface, for which the theoretical stress changes are substantially smaller than the experimental ones, a situation not obviously attributable to experimental error. For the W(1 1 0)/Fe system there is also a marked difference between experiment and theory in the coverage at which key surface stress changes occur

A Computational Complexity Theory in Membrane Computing

In this paper, a computational complexity theory within the framework of Membrane Computing is introduced. Polynomial complexity classes associated with di erent models of cell-like and tissue-like membrane systems are de ned and the most relevant results obtained so far are presented. Many attractive characterizations of P 6= NP conjecture within the framework of a bio-inspired and non-conventional computing model are deduced.Ministerio de Educación y Ciencia TIN2006-13425Junta de Andalucía P08–TIC-0420

InPBi Single Crystals Grown by Molecular Beam Epitaxy

InPBi was predicted to be the most robust infrared optoelectronic material but also the most difficult to synthesize within In-VBi (V = P, As and Sb) 25 years ago. We report the first successful growth of InPBi single crystals with Bi concentration far beyond the doping level by gas source molecular beam epitaxy. The InPBi thin films reveal excellent surface, structural and optical qualities making it a promising new III–V compound family member for heterostructures. The Bi concentration is found to be 2.4 ± 0.4% with 94 ± 5% Bi atoms at substitutional sites. Optical absorption indicates a band gap of 1.23 eV at room temperature while photoluminescence shows unexpectedly strong and broad light emission at 1.4–2.7 μm which can't be explained by the existing theory

The Adsorption of H2O on TiO2 and SnO2(110) Studied by First-Principles Calculations

First-principles calculations based on density functional theory and the pseudopotential method have been used to investigate the energetics of H$_2$O adsorption on the (110) surface of TiO$_2$ and SnO$_2$. Full relaxation of all atomic positions is performed on slab systems with periodic boundary conditions, and the cases of full and half coverage are studied. Both molecular and dissociative (H$_2$O $\rightarrow$ OH$^-$ + H$^+$) adsorption are treated, and allowance is made for relaxation of the adsorbed species to unsymmetrical configurations. It is found that for both TiO$_2$ and SnO$_2$ an unsymmetrical dissociated configuration is the most stable. The symmetrical molecularly adsorbed configuration is unstable with respect to lowering of symmetry, and is separated from the fully dissociated configuration by at most a very small energy barrier. The calculated dissociative adsorption energies for TiO$_2$ and SnO$_2$ are in reasonable agreement with the results of thermal desorption experiments. Calculated total and local electronic densities of states for dissociatively and molecularly adsorbed configurations are presented and their relation with experimental UPS spectra is discussed

Cat-scratch disease in veterinary-associated populations and in its cat reservoir in Taiwan

In Taiwan, the first human case of cat-scratch disease (CSD) was diagnosed by a serologic test in 1998. Since then, no studies have been conducted to understand the epidemiology of the infection in Taiwan. Therefore, this study is the first epidemiologic survey of CSD in cats and humans in this country. Using veterinary-associated individuals as the study population, it was identified that 1.7% of them were seropositive for B. henselae, and residence was the only factor associated with seropositivity. Bartonella species were successfully isolated from 25 (19.1%) of the 131 cats tested. Only B. henselae and B. clarridgeiae were obtained from bacteremic cats. Furthermore, 9.2% of 131 cats were dually-infected with genotypes I and II of B. henselae. It is the highest prevalence of co-infection that has ever been reported worldwide. In cats, the seroprevalence was 23.7% by indirect immunofluorescence antibody assay with B. henselae Houston-1 (type I) as the antigen. When 12 bacteremic but seronegative cats were re-tested by IFA slides coated with B. henselae U-4 antigen (type II), 9 cats were identified to be seropositive. Our study further suggested that using only direct PCR of 16S-23S rRNA intergenic region or the combination of the PCR method and indirect immuno-fluorescence test will be useful to diagnose Bartonella-free cats