250 research outputs found
Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W
Screw dislocations in bcc metals display non-planar cores at zero temperature
which result in high lattice friction and thermally activated strain rate
behavior. In bcc W, electronic structure molecular statics calculations reveal
a compact, non-degenerate core with an associated Peierls stress between 1.7
and 2.8 GPa. However, a full picture of the dynamic behavior of dislocations
can only be gained by using more efficient atomistic simulations based on
semiempirical interatomic potentials. In this paper we assess the suitability
of five different potentials in terms of static properties relevant to screw
dislocations in pure W. As well, we perform molecular dynamics simulations of
stress-assisted glide using all five potentials to study the dynamic behavior
of screw dislocations under shear stress. Dislocations are seen to display
thermally-activated motion in most of the applied stress range, with a gradual
transition to a viscous damping regime at high stresses. We find that one
potential predicts a core transformation from compact to dissociated at finite
temperature that affects the energetics of kink-pair production and impacts the
mechanism of motion. We conclude that a modified embedded-atom potential
achieves the best compromise in terms of static and dynamic screw dislocation
properties, although at an expense of about ten-fold compared to central
potentials
Energy Distribution of a Stringy Charged Black Hole
The energy distribution associated with a stringy charged black hole is
studied using M{\o}ller's energy-momentum complex. Our result is reasonable and
it differs from that known in literature using Einstein's energy-momentum
complex.Comment: Latex, no figure
The influence of transition metal solutes on dislocation core structure and values of Peierls stress and barrier in tungsten
Several transition metals were examined to evaluate their potential for
improving the ductility of tungsten. The dislocation core structure and Peierls
stress and barrier of screw dislocations in binary
tungsten-transition metal alloys (WTM) were investigated using
first principles electronic structure calculations. The periodic quadrupole
approach was applied to model the structure of dislocation. Alloying
with transition metals was modeled using the virtual crystal approximation and
the applicability of this approach was assessed by calculating the equilibrium
lattice parameter and elastic constants of the tungsten alloys. Reasonable
agreement was obtained with experimental data and with results obtained from
the conventional supercell approach. Increasing the concentration of a
transition metal from the VIIIA group, i.e. the elements in columns headed by
Fe, Co and Ni, leads to reduction of the elastic constant and
increase of elastic anisotropy A=. Alloying W with a group
VIIIA transition metal changes the structure of the dislocation core from
symmetric to asymmetric, similar to results obtained for WRe
alloys in the earlier work of Romaner {\it et al} (Phys. Rev. Lett. 104, 195503
(2010))\comments{\cite{WRECORE}}. In addition to a change in the core symmetry,
the values of the Peierls stress and barrier are reduced. The latter effect
could lead to increased ductility in a tungsten-based
alloy\comments{\cite{WRECORE}}. Our results demonstrate that alloying with any
of the transition metals from the VIIIA group should have similar effect as
alloying with Re.Comment: 12 pages, 8 figures, 3 table
Vapor-phase synthesis, growth mechanism and thickness-independent elastic modulus of single-crystal tungsten nanobelts
Single-crystal tungsten nanobelts with thicknesses from tens to hundreds of nanometers, widths of several micrometers and lengths of tens of micrometers were synthesized using chemical vapor deposition. Surface energy minimization was believed to have played a crucial role in the growth of the synthesized nanobelts enclosed by the low-energy {110} crystal planes of body-centered-cubic structure. The anisotropic growth of the crystallographically equivalent {110} crystal planes could be attributable to the asymmetric concentration distribution of the tungsten atom vapor around the nanobelts during the growth process. The elastic moduli of the synthesized tungsten nanobelts with thicknesses ranging from 65 to 306 nm were accurately measured using a newly developed thermal vibration method. The measured modulus values of the tungsten nanobelts were thickness-dependent. After eliminating the effect of surface oxidization using a core-shell model, the elastic modulus of tungsten nanobelts became constant, which is close to that of the bulk tungsten value of 410 GPa
NS1 Specific CD8(+) T-Cells with Effector Function and TRBV11 Dominance in a Patient with Parvovirus B19 Associated Inflammatory Cardiomyopathy
Background: Parvovirus B19 (B19V) is the most commonly detected virus in endomyocardial biopsies (EMBs) from patients with inflammatory cardiomyopathy (DCMi). Despite the importance of T-cells in antiviral defense, little is known about the role of B19V specific T-cells in this entity.
Methodology and Principal Findings: An exceptionally high B19V viral load in EMBs (115,091 viral copies/mg nucleic acids), peripheral blood mononuclear cells (PBMCs) and serum was measured in a DCMi patient at initial presentation, suggesting B19V viremia. The B19V viral load in EMBs had decreased substantially 6 and 12 months afterwards, and was not traceable in PBMCs and the serum at these times. Using pools of overlapping peptides spanning the whole B19V proteome, strong CD8(+) T-cell responses were elicited to the 10-amico-acid peptides SALKLAIYKA (19.7% of all CD8(+) cells) and QSALKLAIYK (10%) and additional weaker responses to GLCPHCINVG (0.71%) and LLHTDFEQVM (0.06%). Real-time RT-PCR of IFN gamma secretion-assay-enriched T-cells responding to the peptides, SALKLAIYKA and GLCPHCINVG, revealed a disproportionately high T-cell receptor Vbeta (TRBV) 11 expression in this population. Furthermore, dominant expression of type-1 (IFN gamma, IL2, IL27 and Tbet) and of cytotoxic T-cell markers (Perforin and Granzyme B) was found, whereas gene expression indicating type-2 (IL4, GATA3) and regulatory T-cells (FoxP3) was low.
Conclusions: Our results indicate that B19V Ag-specific CD8(+) T-cells with effector function are involved in B19V associated DCMi. In particular, a dominant role of TRBV11 and type-1/CTL effector cells in the T-cell mediated antiviral immune response is suggested. The persistence of B19V in the endomyocardium is a likely antigen source for the maintenance of CD8(+) T-cell responses to the identified epitopes
Study and suppression of the microstructural anisotropy generated during the consolidation of a carbonyl iron powder by field-assisted hot pressing
Published OnlineA spherical carbonyl iron powder was consolidated by the field-assisted hot pressing technique using graphite tools at two different temperatures, both above the austenitizing temperature. The microstructures obtained exhibited a compositional gradient in carbon along the consolidated material. Thus, the outer rim of the cylindrical samples was composed of cementite and pearlite that gradually turned to pearlite, leading to a fully ferritic microstructure at the core of the sample. The increase in the temperature has led to a higher introduction of carbon within the sample. The interposition of a thin tungsten foil between the graphite die/punches and the powders has significantly reduced the diffusion of the carbon through the iron matrix and has suppressed the microstructural anisotropy.Publicad
Genomic expression profiling of human inflammatory cardiomyopathy (DCMi) suggests novel therapeutic targets
The clinical phenotype of human dilated cardiomyopathy (DCM) encompasses a broad spectrum of etiologically distinct disorders. As targeting of etiology-related pathogenic pathways may be more efficient than current standard heart failure treatment, we obtained the genomic expression profile of a DCM subtype characterized by cardiac inflammation to identify possible new therapeutic targets in humans. In this inflammatory cardiomyopathy (DCMi), a distinctive cardiac expression pattern not described in any previous study of cardiac disorders was observed. Two significantly altered gene networks of particular interest and possible interdependence centered around the cysteine-rich angiogenic inducer 61 (CYR61) and adiponectin (APN) gene. CYR61 overexpression, as in human DCMi hearts in situ, was similarly induced by inflammatory cytokines in vascular endothelial cells in vitro. APN was strongly downregulated in DCMi hearts and completely abolished cytokine-dependent CYR61 induction in vitro. Dysbalance between the CYR61 and APN networks may play a pathogenic role in DCMi and contain novel therapeutic targets. Multiple immune cell-associated genes were also deregulated (e.g., chemokine ligand 14, interleukin-17D, nuclear factors of activated T cells). In contrast to previous investigations in patients with advanced or end-stage DCM where etiology-related pathomechanisms are overwhelmed by unspecific processes, the deregulations detected in this study occurred at a far less severe and most probably fully reversible disease stage. ELECTRONIC SUPPLEMENTARY MATERIAL: Supplementary material is available in the online version of this article at http://dx.doi.org/10.1007/s00109-006-0122-9 and is accessible for authorized users
Improving Cry8Ka toxin activity towards the cotton boll weevil (Anthonomus grandis)
<p>Abstract</p> <p>Background</p> <p>The cotton boll weevil (<it>Anthonomus grandis</it>) is a serious insect-pest in the Americas, particularly in Brazil. The use of chemical or biological insect control is not effective against the cotton boll weevil because of its endophytic life style. Therefore, the use of biotechnological tools to produce insect-resistant transgenic plants represents an important strategy to reduce the damage to cotton plants caused by the boll weevil. The present study focuses on the identification of novel molecules that show improved toxicity against the cotton boll weevil. <it>In vitro </it>directed molecular evolution through DNA shuffling and phage display screening was applied to enhance the insecticidal activity of variants of the Cry8Ka1 protein of <it>Bacillus thuringiensis</it>.</p> <p>Results</p> <p>Bioassays carried out with <it>A. grandis </it>larvae revealed that the LC<sub>50 </sub>of the screened mutant Cry8Ka5 toxin was 3.15-fold higher than the wild-type Cry8Ka1 toxin. Homology modelling of Cry8Ka1 and the Cry8Ka5 mutant suggested that both proteins retained the typical three-domain Cry family structure. The mutated residues were located mostly in loops and appeared unlikely to interfere with molecular stability.</p> <p>Conclusions</p> <p>The improved toxicity of the Cry8Ka5 mutant obtained in this study will allow the generation of a transgenic cotton event with improved potential to control <it>A. grandis</it>.</p
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