3,255 research outputs found

    First Principles LCGO Calculation of the Magneto-optical Properties of Nickel and Iron

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    We report a first principles, self-consistent, all electron, linear combination of Gaussian orbitals (LCGO) calculation of a comprehensive collection of magneto-optical properties of nickel and iron based on density functional theory. Among the many magneto-optical effects, we have studied the equatorial Kerr effect for absorption in the optical as well as soft X-ray region, where it is called X-ray magnetic linear dichroism (X-MLD). In the optical region the effect is of the order of 2\% while in the X-ray region it is of the order of 1\% for the incident angles considered. In addition, the polar Kerr effect, X-ray magnetic circular dichroism (X-MCD) and total X-ray absorption at the L2,3_{2,3} edges, soft X-ray Faraday effect at the L2,3_{2,3} edges have also been calculated. Our results are in good agreement with experiments and other first principles methods that have been used to calculate some of these properties.Comment: 22 pages RevTex. 8 figures submitted separately as a uuencoded, compressed tar fil

    TTS protein orthologs as interspecific reproductive barriers in the solanaceae

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    TTS (transmitting tissue-specific) proteins are abundant in the extracellular matrix (ECM) of the transmitting tissue, which forms the pollen tube pathway in Nicotiana pistils. These arabinogalactan proteins stimulate pollen tube growth and are vital for optimal seed set. I have cloned and sequenced two putative orthologs, PiPRP1 and PaPRP1, which are expressed in the pistils of Petunia integrifolia and Petunia axillaris, respectively. Comparison of the domain architecture and cross-reactivity with anti-TTS protein antibodies confirm that the proteins encoded by these Petunia cDNA clones are orthologs of TTS proteins (TTSPs) from Nicotiana species. Using immunological detection methods, I have shown that TTSP orthologs are present in the pistils of three subfamilies within the Solanaceae: Nicotianoideae, Petunioideae, and Solanoideae. Surprisingly, the proteins were also detected in leaves and roots of P. integrifolia seedlings. I cloned the TTSP ortholog expressed in seedling leaves (PiPRP2) and found it to be nearly indistinguishable from PiPRP1, encoded by the pistil cDNA. Like the TTSPs from Nicotiana, PaPRP1, PiPRP1, and PiPRP2 are histidine-domain arabinogalactan proteins with a highly variable proline-rich domain containing KPP repeats that vary in number and location among solanaceous taxa. Multiple alignments were used to deduce the effect of natural selection on the conserved and hypervariable domains of this multidomain subfamily of arabinogalactan proteins. For each pairwise comparison, I deduced the Ka/Ks ratio, which expresses the nucleotide substitutions per synonymous site (Ks) and non-synonymous site (Ka) in the two sequences. My analysis indicates that the two hypervariable domains of these proteins have undergone positive selection (Ka / Ks \u3e 1), whereas the conserved domains are under purifying selection (Ka / Ks \u3c 1). The differential selective pressure on the protein domains suggests that the hypervariable domains are involved in species-specific interactions with an unidentified pollen tube partner, and the conserved domains have general functions that are invariant. I propose that sequence divergence in the hypervariable domain reinforces speciation by generating a post-pollination prezygotic breeding barrier between incipient species

    The U(1)-Higgs Model: Critical Behaviour in the Confinig-Higgs region

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    We study numerically the critical properties of the U(1)-Higgs lattice model, with fixed Higgs modulus, in the region of small gauge coupling where the Higgs and Confining phases merge. We find evidence of a first order transition line that ends in a second order point. By means of a rotation in parameter space we introduce thermodynamic magnitudes and critical exponents in close resemblance with simple models that show analogous critical behaviour. The measured data allow us to fit the critical exponents finding values in agreement with the mean field prediction. The location of the critical point and the slope of the first order line are accurately given.Comment: 21 text pages. 12 postscript figures available on reques

    Comment on "Breakdown of the Internet under Intentional Attack"

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    We obtain the exact position of the percolation threshold in intentionally damaged scale-free networks.Comment: 1 page, to appear in Phys. Rev. Let

    Restoring human nature : constructive theological anthropologies engaging the psychological sciences

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    Over the past decade, a growing number of theologians and philosophers from a variety of sub disciplines have expressed an interest in the possibilities of a “science-engaged theology.” The specific projects that fall under this somewhat broad conceptual umbrella are rather diverse, but at its most basic, science-engaged theology is a form of inquiry that is deeply engaged with one or more of the sciences in the service of articulating, defending, or critiquing existing theological and philosophical frameworks. Some operating in this fertile domain even seek to construct entirely new theological (and occasionally, scientific) categories in light of the generative insights born from a robust interaction between the sciences and theology.Publisher PDFPeer reviewe

    Penalized Orthogonal-Components Regression for Large p Small n Data

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    We propose a penalized orthogonal-components regression (POCRE) for large p small n data. Orthogonal components are sequentially constructed to maximize, upon standardization, their correlation to the response residuals. A new penalization framework, implemented via empirical Bayes thresholding, is presented to effectively identify sparse predictors of each component. POCRE is computationally efficient owing to its sequential construction of leading sparse principal components. In addition, such construction offers other properties such as grouping highly correlated predictors and allowing for collinear or nearly collinear predictors. With multivariate responses, POCRE can construct common components and thus build up latent-variable models for large p small n data.Comment: 12 page
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