403 research outputs found

    THE EFFECT OF PRESSURE ON THE ELECTRONIC STRUCTURE OF FERRIC HYDROXAMATES AND FERRICHROME A.

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    Quasi-one-dimensional antiferromagnetism and multiferroicity in CuCrO4_4

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    The bulk magnetic properties of the new quasi-one-dimensional Heisenberg antiferromagnet, CuCrO4_4, were characterized by magnetic susceptibility, heat capacity, optical spectroscopy, EPR and dielectric capacitance measurements and density functional evaluations of the intra- and interchain spin exchange interactions. We found type-II multiferroicity below the N\'{e}el temperature of 8.2(5) K, arising from competing antiferromagnetic nearest-neighbor (JnnJ_{\rm nn}) and next-nearest-neighbor (JnnnJ_{\rm nnn}) intra-chain spin exchange interactions. Experimental and theoretical results indicate that the ratio Jnn/JnnnJ_{\rm nn}/J_{\rm nnn} is close to 2, putting CuCrO4_4 in the vicinity of the Majumdar-Ghosh point.Comment: 9 pages, 8 figures, submitted to PR

    Tuning intermolecular interactions in di-octyl substituted polyfluorene via hydrostatic pressure

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    Polyfluorenes (PFs) represent a unique class of poly para-phenylene based blue-emitting polymers with intriguing structure-property relationships. Slight variations in the choice of functionalizing side chains result in dramatic differences in the inter- and intra-chain structures in PFs. We present photoluminescence (PL) and Raman scattering studies of bulk samples and thin films of dioctyl-substituted PF (PF8) under hydrostatic pressure. The bulk sample was further thermally annealed at 1.9 GPa. The PL vibronics of the as-is sample red-shift at an average rate of 26 meV/GPa. The thermally annealed sample is characterized by at least two phase transitions at 1.1 GPa and 4.2 GPa, each of which has a different pressure coefficient for PL vibronics. The Huang-Rhys factor, a measure of the electron-phonon interaction, is found to increase with increasing pressures signaling a higher geometric relaxation of the electronic states. The Raman peaks harden with increasing pressures; the intra-ring C-C stretch frequency at 1600 cm1^{-1} has a pressure coefficient of 7.2 cm1^{-1}/GPa and exhibits asymmetric line shapes at higher pressures, characteristic of a strong electron-phonon interaction. The optical properties of PF8 under high pressure are further contrasted with those of a branched side chain substituted PF.Comment: 22 pages, 10 figure

    Study of interplanar binding in graphite by extended Thomas-Fermi theory

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    A model of a graphite crystal is used which consists of a set of parallel slabs of positive charge immersed in an electron sea. Each slab, about 1 Å wide, contains the charge of the nucleus and five electrons per carbon atom, homogeneously distributed in the volume of the slabs. The electron density in the region between slabs is calculated from Thomas-Fermi-Dirac theory including corrections for inhomogeneity to the kinetic energy and correlation energy. Also, a calculation is reported with the electron density obtained by a minimization of the Thomas-Fermi-Dirac-Kirzhnits functional. The results are in semiquantitative agreement with empirical data

    C-type lectin-like domains in Fugu rubripes

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    BACKGROUND: Members of the C-type lectin domain (CTLD) superfamily are metazoan proteins functionally important in glycoprotein metabolism, mechanisms of multicellular integration and immunity. Three genome-level studies on human, C. elegans and D. melanogaster reported previously demonstrated almost complete divergence among invertebrate and mammalian families of CTLD-containing proteins (CTLDcps). RESULTS: We have performed an analysis of CTLD family composition in Fugu rubripes using the draft genome sequence. The results show that all but two groups of CTLDcps identified in mammals are also found in fish, and that most of the groups have the same members as in mammals. We failed to detect representatives for CTLD groups V (NK cell receptors) and VII (lithostathine), while the DC-SIGN subgroup of group II is overrepresented in Fugu. Several new CTLD-containing genes, highly conserved between Fugu and human, were discovered using the Fugu genome sequence as a reference, including a CSPG family member and an SCP-domain-containing soluble protein. A distinct group of soluble dual-CTLD proteins has been identified, which may be the first reported CTLDcp group shared by invertebrates and vertebrates. We show that CTLDcp-encoding genes are selectively duplicated in Fugu, in a manner that suggests an ancient large-scale duplication event. We have verified 32 gene structures and predicted 63 new ones, and make our annotations available through a distributed annotation system (DAS) server and their sequences as additional files with this paper. CONCLUSIONS: The vertebrate CTLDcp family was essentially formed early in vertebrate evolution and is completely different from the invertebrate families. Comparison of fish and mammalian genomes revealed three groups of CTLDcps and several new members of the known groups, which are highly conserved between fish and mammals, but were not identified in the study using only mammalian genomes. Despite limitations of the draft sequence, the Fugu rubripes genome is a powerful instrument for gene discovery and vertebrate evolutionary analysis. The composition of the CTLDcp superfamily in fish and mammals suggests that large-scale duplication events played an important role in the evolution of vertebrates

    Thomas-Fermi Calculation of the Interlayer Force in Graphite

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    A model of a graphite crystal is proposed in which planar layers of positive charge are considered instead of the point charges of nuclei. The interlayer electronic density is calculated integrating both the Thomas-Fermi and the Thomas-Fermi-Dirac equations. From these densities, the total energy of the electrons is calculated including corrections for inhomogeneity in the form of Weizsäcker and Kirzhnits. The influence of the different corrections is studied with the result that the best method is to calculate the density from the Thomas-Fermi-Dirac equation and to take into account the inhomogeneity corrections in the form of Kirzhnits

    Analysis of Male Pheromones That Accelerate Female Reproductive Organ Development

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    Male odors can influence a female's reproductive physiology. In the mouse, the odor of male urine results in an early onset of female puberty. Several volatile and protein pheromones have previously been reported to each account for this bioactivity. Here we bioassay inbred BALB/cJ females to study pheromone-accelerated uterine growth, a developmental hallmark of puberty. We evaluate the response of wild-type and mutant mice lacking a specialized sensory transduction channel, TrpC2, and find TrpC2 function to be necessary for pheromone-mediated uterine growth. We analyze the relative effectiveness of pheromones previously identified to accelerate puberty through direct bioassay and find none to significantly accelerate uterine growth in BALB/cJ females. Complementary to this analysis, we have devised a strategy of partial purification of the uterine growth bioactivity from male urine and applied it to purify bioactivity from three different laboratory strains. The biochemical characteristics of the active fraction of all three strains are inconsistent with that of previously known pheromones. When directly analyzed, we are unable to detect previously known pheromones in urine fractions that generate uterine growth. Our analysis indicates that pheromones emitted by males to advance female puberty remain to be identified

    Mammalian lectin arrays for screening host-microbe interactions

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    Many members of the C-type lectin family of glycan-binding receptors have been ascribed roles in the recognition of microorganisms and serve as key receptors in the innate immune response to pathogens. Other mammalian receptors have become targets through which pathogens enter target cells. These receptor roles have often been documented with binding studies involving individual pairs of receptors and micro-organisms. To provide a systematic overview of interactions between microbes and the large complement of C-type lectins, here we developed a lectin array and suitable protocols for labeling of microbes that could be used to probe this array. The array contains C-type lectins from cow, chosen as a model organism of agricultural interest for which the relevant pathogen–receptor interactions have not been previously investigated in detail. Screening with yeast cells and various strains of both Gram-positive and -negative bacteria revealed distinct binding patterns, which in some cases could be explained by binding to lipo­poly­saccharides or capsular poly­saccharides, but in other cases suggested the presence of novel glycan targets on many of the microorganisms. These results are consistent with interactions previously ascribed to the receptors, but also highlight binding to additional sugar targets that have not previously been recognized. Our findings indicate that mammalian lectin arrays represent unique discovery tools for identifying both novel ligands and new receptor functions
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