Predicting the stability of atom-like and molecule-like unit-charge Coulomb three-particle systems

Non-relativistic quantum chemical calculations of the particle mass, m ± 2 , corresponding to the dissociation threshold in a range of Coulomb three-particle systems of the form {m ± 1 m ± 2 m ∓ 3 } , are performed variationally using a series solution method with a Laguerre-based wavefunction. These masses are used to calculate an accurate stability boundary, i.e., the line that separates the stability domain from the instability domains, in a reciprocal mass fraction ternary diagram. This result is compared to a lower bound to the stability domain derived from symmetric systems and reveals the importance of the asymmetric (mass-symmetry breaking) terms in the Hamiltonian at dissociation. A functional fit to the stability boundary data provides a simple analytical expression for calculating the minimum mass of a third particle required for stable binding to a two-particle system, i.e., for predicting the bound state stability of any unit-charge three-particle system

Quantum effects of nuclear motion in three-particle diatomic ions

A high accuracy, non-relativistic wavefunction is used to study nuclear motion in the ground state of three-particle {a+1a+2a-3} electronic and muonic molecular systems without assuming the Born Oppenheimer approximation. Intracule densities and center of mass particle densities show that as the mass ratio mai/ma3, i=1,2, becomes smaller, the localisation of the like-charged particles (nuclei) a1 and a2 decreases. A new coordinate system is used to calculate center of mass particle densities for systems where a1≠a2. It is shown that the nuclear motion is strongly correlated and depends on the relative masses of the nuclei a1 and a2 rather than just their absolute mass. The heavier particle is always more localised and, the lighter the partner mass, the greater the localisation. It is shown, for systems with ma1<ma2, that the ratio of (i) the density maximum and (ii) the full width at half maximum (FWHM) of the radial distribution of each nucleus from the center of mass, is directly proportional to the mass ratio of the nuclei: ma1/ma2 for the former and ma2/ma1 for the latter, thus quantifying a quantum effect of nuclear correlation

Inner and outer radial density functions in correlated two-electron systems

A method is presented for determining inner and outer one-electron radial density functions for two electron systems by partitioning the fully correlated two-electron radial density function. This is applied to the helium isolectronic series (Z=1 to 10 and 100) and the critical nuclear charge system, which has the minimum charge for which the atomic system has at least one bound state, to separate out the motions of the two electrons in both weakly and strongly correlated systems. It is found that the inner electron experiences an anti-shielding effect due to the perturbation by the other electron which increases with increasing Z. For the weakly bound systems the inner radial density distribution closely resembles that of a hydrogenic atom with the outer radial density distribution becoming very diffuse

Expressed in the yeast Saccharomyces cerevisiae, human ERK5 is a client of the Hsp90 chaperone that complements loss of the Slt2p (Mpk1p) cell integrity stress-activated protein kinase

ERK5 is a mitogen-activated protein (MAP) kinase regulated in human cells by diverse mitogens and stresses but also suspected of mediating the effects of a number of oncogenes. Its expression in the slt2Delta Saccharomyces cerevisiae mutant rescued several of the phenotypes caused by the lack of Slt2p (Mpk1p) cell integrity MAP kinase. ERK5 is able to provide this cell integrity MAP kinase function in yeast, as it is activated by the cell integrity signaling cascade that normally activates Slt2p and, in its active form, able to stimulate at least one key Slt2p target (Rlm1p, the major transcriptional regulator of cell wall genes). In vitro ERK5 kinase activity was abolished by Hsp90 inhibition. ERK5 activity in vivo was also lost in a strain that expresses a mutant Hsp90 chaperone. Therefore, human ERK5 expressed in yeast is an Hsp90 client, despite the widely held belief that the protein kinases of the MAP kinase class are non-Hsp90-dependent activities. Two-hybrid and protein binding studies revealed that strong association of Hsp90 with ERK5 requires the dual phosphorylation of the TEY motif in the MAP kinase activation loop. These phosphorylations, at positions adjacent to the Hsp90-binding surface recently identified for a number of protein kinases, may cause a localized rearrangement of this MAP kinase region that leads to creation of the Hsp90-binding surface. Complementation of the slt2Delta yeast defect by ERK5 expression establishes a new tool with which to screen for novel agonists and antagonists of ERK5 signaling as well as for isolating mutant forms of ERK5

Heat shock factor 1 regulates lifespan as distinct from disease onset in prion disease

Prion diseases are fatal, transmissible, neurodegenerative diseases caused by the misfolding of the prion protein (PrP). At present, the molecular pathways underlying prion-mediated neurotoxicity are largely unknown. We hypothesized that the transcriptional regulator of the stress response, heat shock factor 1 (HSF1), would play an important role in prion disease. Uninoculated HSF1 knockout (KO) mice used in our study do not show signs of neurodegeneration as assessed by survival, motor performance, or histopathology. When inoculated with Rocky Mountain Laboratory (RML) prions HSF1 KO mice had a dramatically shortened lifespan, succumbing to disease ≈20% faster than controls. Surprisingly, both the onset of home-cage behavioral symptoms and pathological alterations occurred at a similar time in HSF1 KO and control mice. The accumulation of proteinase K (PK)-resistant PrP also occurred with similar kinetics and prion infectivity accrued at an equal or slower rate. Thus, HSF1 provides an important protective function that is specifically manifest after the onset of behavioral symptoms of prion disease

The Role of Individual Heterogeneity in Collective Animal Behaviour

Social grouping is omnipresent in the animal kingdom. Considerable research has focused on understanding how animal groups form and function, including how collective behaviour emerges via self-organising mechanisms and how phenotypic variation drives the behaviour and functioning of animal groups. However, we still lack a mechanistic understanding of the role of phenotypic variation in collective animal behaviour. Here we present a common framework to quantify individual heterogeneity and synthesise the literature to systematically explain and predict its role in collective behaviour across species, contexts, and traits. We show that individual heterogeneity provides a key intermediary mechanism with broad consequences for sociality (e.g., group structure, functioning), ecology (e.g., response to environmental change), and evolution. We also outline a roadmap for future research

Shape Memory Alloys Via Halide-Activated Pack Equilibration

Fabrication of shape memory alloy (SMA) components based on NiTi is challenging due to the precision with which elemental composition and microstructure must be controlled during processing to achieve desired shape memory behavior. Herein, a method to control chemistry in an NiTi SMA via halide-activated pack equilibration (SHAPE) against a constant chemical potential reservoir is described. To demonstrate the efficacy of the SHAPE process, an initially titanium-deficient specimen (pure nickel foam) has been equilibrated against an excess of an intimately mixed two-phase pack (NiTi + Ti2Ni) in the presence of a vapor phase transport agent (iodine). The two-phase pack regulates chemical potentials in this two-component system in accordance with Gibbs\u27 phase rule. Ti-rich NiTi foams thus produced exhibit reproducible and well-defined phase transformation behaviors. The SHAPE process is advantageous for the fabrication of shape memory components of varying areal dimension, shape, and/or complexity owing to independence of the equilibrium state of the system from either the initial state of the specimen or the details of the process kinetics. Current limitations and prospects for the application of this method to improve the quality of SMA components are briefly discussed

FIRST REPORT OF ACASIS APPENSATA (EVERSMANN, 1842) IN SERBIA WITH AN EXAMINATION OF THE GENUS ACASIS DUPONCHEL, 1845 (LEPIDOPTERA: GEOMETRIDAE) ON THE BALKAN PENINSULA

Acasis appensata (Eversmann, 1842) (Lepidoptera, Geometridae) is reported in Serbia for the first time. The status on the Balkan Peninsula of the two Western Palaearctic species of Acasis Duponchel, 1845 is discussed. The localized distribution pattern of both A. appensata and A. viretata (Hübner, 1799) is probably genuine, though both species may be significantly under-recorded for want of adequate field workers in the region

HST Studies of the WLM Galaxy. I. The Age and Metallicity of the Globular Cluster

We have obtained V and I images of the lone globular cluster that belongs to the dwarf Local Group irregular galaxy known as WLM. The color-magnitude diagram of the cluster shows that it is a normal old globular cluster with a well-defined giant branch reaching to M_V=-2.5, a horizontal branch at M_V=+0.5, and a sub-giant branch extending to our photometry limit of M_V=+2.0. A best fit to theoretical isochrones indicates that this cluster has a metallicity of [Fe/H]=-1.52\pm0.08 and an age of 14.8\pm0.6 Gyr, thus indicating that it is similar to normal old halo globulars in our Galaxy. From the fit we also find that the distance modulus of the cluster is 24.73\pm0.07 and the extinction is A_V=0.07\pm0.06, both values that agree within the errors with data obtained for the galaxy itself by others. We conclude that this normal massive cluster was able to form during the formation of WLM, despite the parent galaxy's very small intrinsic mass and size.Comment: 14 pages, 5 figures, 1 tabl