First-principles data for solid-solution strengthening of magnesium: From geometry and chemistry to properties

Solid-solution strengthening results from solutes impeding the glide of dislocations. Existing theories of strength rely on solute-dislocation interactions, but do not consider dislocation core structures, which need an accurate treatment of chemical bonding. Here, we focus on strengthening of Mg, the lightest of all structural metals and a promising replacement for heavier steel and aluminum alloys. Elasticity theory, which is commonly used to predict the requisite solute-dislocation interaction energetics, is replaced with quantum-mechanical first-principles calculations to construct a predictive mesoscale model for solute strengthening of Mg. Results for 29 different solutes are displayed in a "strengthening design map" as a function of solute misfits that quantify volumetric strain and slip effects. Our strengthening model is validated with available experimental data for several solutes, including Al and Zn, the two most common solutes in Mg. These new results highlight the ability of quantum-mechanical first-principles calculations to predict complex material properties such as strength.Comment: 9 pages, 7 figures, 2 table

Some aspects of speckle patterns produced by a small number of scatterers

Imperial Users onl

Algorithmic Complexity for Short Binary Strings Applied to Psychology: A Primer

Since human randomness production has been studied and widely used to assess executive functions (especially inhibition), many measures have been suggested to assess the degree to which a sequence is random-like. However, each of them focuses on one feature of randomness, leading authors to have to use multiple measures. Here we describe and advocate for the use of the accepted universal measure for randomness based on algorithmic complexity, by means of a novel previously presented technique using the the definition of algorithmic probability. A re-analysis of the classical Radio Zenith data in the light of the proposed measure and methodology is provided as a study case of an application.Comment: To appear in Behavior Research Method

IRG and GBP host resistance factors target aberrant, ‘‘Non-self’’ vacuoles characterized by the missing of ‘‘Self’’ IRGM proteins

Interferon-inducible GTPases of the Immunity Related GTPase (IRG) and Guanylate Binding Protein (GBP) families provide resistance to intracellular pathogenic microbes. IRGs and GBPs stably associate with pathogen-containing vacuoles (PVs) and elicit immune pathways directed at the targeted vacuoles. Targeting of Interferon-inducible GTPases to PVs requires the formation of higher-order protein oligomers, a process negatively regulated by a subclass of IRG proteins called IRGMs. We found that the paralogous IRGM proteins Irgm1 and Irgm3 fail to robustly associate with ‘‘non-self’’ PVs containing either the bacterial pathogen Chlamydia trachomatis or the protozoan pathogen Toxoplasma gondii. Instead, Irgm1 and Irgm3 reside on ‘‘self’’ organelles including lipid droplets (LDs). Whereas IRGM-positive LDs are guarded against the stable association with other IRGs and GBPs, we demonstrate that IRGM-stripped LDs become high affinity binding substrates for IRG and GBP proteins. These data reveal that intracellular immune recognition of organelle-like structures by IRG and GBP proteins is partly dictated by the missing of ‘‘self’’ IRGM proteins from these structures.Fil: Haldar, Arun K.. University Of Duke; Estados UnidosFil: Saka, Hector Alex. University Of Duke; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Córdoba. Centro de Investigaciones en Bioquímica Clínica e Inmunología; ArgentinaFil: Piro, Anthony S.. University Of Duke; Estados UnidosFil: Dunn, Joe Dan. University Of Duke; Estados UnidosFil: Henry, Stanley C.. University Of Duke; Estados Unidos. Veteran Affairs Medical Center; Estados UnidosFil: Taylor, Gregory A.. University Of Duke; Estados Unidos. Veteran Affairs Medical Center; Estados UnidosFil: Frickel, Eva M.. National Institute for Medical Research; Reino UnidoFil: Valdivia, Raphael H.. University Of Duke; Estados UnidosFil: Coers, Jörn. University Of Duke; Estados Unido

Stochastic evolutionary game dynamics

In this review, we summarize recent developments in stochastic evolutionary game dynamics of finite populations.Comment: To appear in "Reviews of Nonlinear Dynamics and Complexity" Vol. II, Wiley-VCH, 2009, edited by H.-G. Schuste

International Society of Sports Nutrition Position Stand: beta-hydroxy-beta-methylbutyrate (HMB)

Abstract Position Statement: The International Society of Sports Nutrition (ISSN) bases the following position stand on a critical analysis of the literature on the use of beta-hydroxy-beta-methylbutyrate (HMB) as a nutritional supplement. The ISSN has concluded the following. 1. HMB can be used to enhance recovery by attenuating exercise induced skeletal muscle damage in trained and untrained populations. 2. If consuming HMB, an athlete will benefit from consuming the supplement in close proximity to their workout. 3. HMB appears to be most effective when consumed for 2 weeks prior to an exercise bout. 4. Thirty-eight mg·kg·BM-1 daily of HMB has been demonstrated to enhance skeletal muscle hypertrophy, strength, and power in untrained and trained populations when the appropriate exercise prescription is utilized. 5. Currently, two forms of HMB have been used: Calcium HMB (HMB-Ca) and a free acid form of HMB (HMB-FA). HMB-FA may increase plasma absorption and retention of HMB to a greater extent than HMB-CA. However, research with HMB-FA is in its infancy, and there is not enough research to support whether one form is superior. 6. HMB has been demonstrated to increase LBM and functionality in elderly, sedentary populations. 7. HMB ingestion in conjunction with a structured exercise program may result in greater declines in fat mass (FM). 8. HMB’s mechanisms of action include an inhibition and increase of proteolysis and protein synthesis, respectively. 9. Chronic consumption of HMB is safe in both young and old populations

The discrepancy between social isolation and loneliness as a clinically meaningful metric: findings from the Irish and English longitudinal studies of ageing (TILDA and ELSA)

Objective Scant evidence is available on the discordance between loneliness and social isolation among older adults. We aimed to investigate this discordance and any health implications that it may have. Method Using nationally representative datasets from ageing cohorts in Ireland (TILDA) and England (ELSA), we created a metric of discordance between loneliness and social isolation, to which we refer as Social Asymmetry. This metric was the categorised difference between standardised scores on a scale of loneliness and a scale of social isolation, giving categories of: Concordantly Lonely and Isolated, Discordant: Robust to Loneliness, or Discordant: Susceptible to Loneliness. We used regression and multilevel modelling to identify potential relationships between Social Asymmetry and cognitive outcomes. Results Social Asymmetry predicted cognitive outcomes cross-sectionally and at a two-year follow-up, such that Discordant: Robust to Loneliness individuals were superior performers, but we failed to find evidence for Social Asymmetry as a predictor of cognitive trajectory over time. Conclusions We present a new metric and preliminary evidence of a relationship with clinical outcomes. Further research validating this metric in different populations, and evaluating its relationship with other outcomes, is warranted

Niobium tetrahalide complexes with neutral diphosphine ligands

The reactions of NbCl4 with diphosphine ligands o-C6H4(PMe2)2, Me2PCH2CH2PMe2 or Et2PCH2CH2PEt2 in a 1:2 molar ratio in MeCN solution produced eight-coordinate [NbCl4(diphosphine)2]. [NbBr4(diphosphine)2] (diphosphine = o-C6H4(PMe2)2 or Me2PCH2CH2PMe2) were made similarly from NbBr4. X-ray crystal structures show that [NbCl4{o-C6H4(PMe2)2)2}] has a dodecahedral geometry but the complexes with dimethylene backboned diphosphines are distorted square antiprisms. The Nb-P and <P-Nb-P angles are very similar in the two types, but Nb-Cl distances are ~ 0.1Å longer in the square antiprismatic complexes. These paramagnetic (d1) complexes were also characterised by microanalysis, magnetic measurements, IR and UV-visible spectroscopy. Using a 1:1 molar ratio of NbCl4 : diphosphine (diphosphine = Me2PCH2CH2PMe2, Et2PCH2CH2PEt2, Cy2PCH2CH2PCy2 and Ph2PCH2CH2CH2PPh2) afforded [NbCl4(diphosphine)] and [NbBr4(Me2PCH2CH2PMe2)] was obtained similarly. These 1 : 1 complexes are unstable in solution, preventing X-ray crystallographic study, but based upon their diamagnetism, IR, UV-visible and 31P{1H} NMR spectra they are formulated as halide-bridged dimers [(diphosphine)X2Nb(μ-X)4NbX2(diphosphine)] with single Nb-Nb bonds and chelating diphosphines. The Nb(IV) complexes are prone to hydrolysis and oxidation in solution and the structures of the Nb(V) complexes [NbBr4(Me2PCH2CH2PMe2)2][NbOBr4(MeCN)] with a dodecahedral cation, and [{NbOCl3{Et2P(CH2)2PEt2}}2{μ-Et2P(CH2)2PEt2}] which contains seven-coordinate Nb(V) centres with a symmetrical diphosphine bridge are reported. The structure of niobium tetrabromide, conveniently made from NbCl4 and BBr3, is a chain polymer with edge-linked NbBr6 octahedra and alternating long and short Nb-Nb distances, the latter ascribed to Nb-Nb bonds