303 research outputs found

    Formation of voids in the Universe within the Lemaitre-Tolman model

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    We develop models of void formation starting from a small initial fluctuation at recombination and growing to a realistic present day density profile in agreement with observations of voids. The model construction is an extension of previously developed algorithms for finding a Lemaitre-Tolman metric that evolves between two profiles of either density or velocity specified at two times. Of the 4 profiles of concern -- those of density and velocity at recombination and at the present day -- two can be specified and the other two follow from the derived model. We find that, in order to reproduce the present-day void density profiles, the initial velocity profile is more important than the initial density profile. Extrapolation of current CMB observations to the scales relevant to proto-voids is very uncertain. Even so, we find that it is very difficult to make both the initial density and velocity fluctuation amplitudes small enough, and still obtain a realistic void by today.Comment: MN2e LaTeX style file, 17 pages, 16 figures, 22 figure files; replecement has minor changes in reference

    On the physical origin of dark matter density profiles

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    The radial mass distribution of dark matter haloes is investigated within the framework of the spherical infall model. We present a new formulation of spherical collapse including non-radial motions, and compare the analytical profiles with a set of high-resolution N-body simulations ranging from galactic to cluster scales. We argue that the dark matter density profile is entirely determined by the initial conditions, which are described by only two parameters: the height of the primordial peak and the smoothing scale. These are physically meaningful quantities in our model, related to the mass and formation time of the halo. Angular momentum is dominated by velocity dispersion, and it is responsible for the shape of the density profile near the centre. The phase-space density of our simulated haloes is well described by a power-law profile, rho/sigma^3 = 10^{1.46\pm0.04} (rho_c/Vvir^3) (r/Rvir)^{-1.90\pm0.05}. Setting the eccentricity of particle orbits according to the numerical results, our model is able to reproduce the mass distribution of individual haloes.Comment: 12 pages, 13 figures, submitted to MNRA

    Alcohol and HCV Chronic Infection Are Risk Cofactors of Type 2 Diabetes Mellitus for Hepatocellular Carcinoma in Italy

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    Type 2 diabetes mellitus (DM2) has been associated with hepatocellular carcinoma (HCC) development. To study this relationship, we enrolled 465 HCC patients compared with 618 Cirrhotic cases and 490 Controls. The prevalence of DM2 is significantly higher in HCC patients with an Odds Ratio of 3.12 versus Controls. In HCC cases with alcohol abuse, the frequency of DM2 is the highest. In our HCC patients, when HCV infection is associated with alcohol abuse, the liver cancer develops earlier. In addition, multivariate analysis shows that alcohol consumption is an independent risk factor for HCC more relevant than HCV infection

    The ocean sampling day consortium

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    Ocean Sampling Day was initiated by the EU-funded Micro B3 (Marine Microbial Biodiversity, Bioinformatics, Biotechnology) project to obtain a snapshot of the marine microbial biodiversity and function of the world’s oceans. It is a simultaneous global mega-sequencing campaign aiming to generate the largest standardized microbial data set in a single day. This will be achievable only through the coordinated efforts of an Ocean Sampling Day Consortium, supportive partnerships and networks between sites. This commentary outlines the establishment, function and aims of the Consortium and describes our vision for a sustainable study of marine microbial communities and their embedded functional traits

    PubChem3D: Similar conformers

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    <p>Abstract</p> <p>Background</p> <p>PubChem is a free and open public resource for the biological activities of small molecules. With many tens of millions of both chemical structures and biological test results, PubChem is a sizeable system with an uneven degree of available information. Some chemical structures in PubChem include a great deal of biological annotation, while others have little to none. To help users, PubChem pre-computes "neighboring" relationships to relate similar chemical structures, which may have similar biological function. In this work, we introduce a "Similar Conformers" neighboring relationship to identify compounds with similar 3-D shape and similar 3-D orientation of functional groups typically used to define pharmacophore features.</p> <p>Results</p> <p>The first two diverse 3-D conformers of 26.1 million PubChem Compound records were compared to each other, using a shape Tanimoto (ST) of 0.8 or greater and a color Tanimoto (CT) of 0.5 or greater, yielding 8.16 billion conformer neighbor pairs and 6.62 billion compound neighbor pairs, with an average of 253 "Similar Conformers" compound neighbors per compound. Comparing the 3-D neighboring relationship to the corresponding 2-D neighboring relationship ("Similar Compounds") for molecules such as caffeine, aspirin, and morphine, one finds unique sets of related chemical structures, providing additional significant biological annotation. The PubChem 3-D neighboring relationship is also shown to be able to group a set of non-steroidal anti-inflammatory drugs (NSAIDs), despite limited PubChem 2-D similarity.</p> <p>In a study of 4,218 chemical structures of biomedical interest, consisting of many known drugs, using more diverse conformers per compound results in more 3-D compound neighbors per compound; however, the overlap of the compound neighbor lists per conformer also increasingly resemble each other, being 38% identical at three conformers and 68% at ten conformers. Perhaps surprising is that the average count of conformer neighbors per conformer increases rather slowly as a function of diverse conformers considered, with only a 70% increase for a ten times growth in conformers per compound (a 68-fold increase in the conformer pairs considered).</p> <p>Neighboring 3-D conformers on the scale performed, if implemented naively, is an intractable problem using a modest sized compute cluster. Methodology developed in this work relies on a series of filters to prevent performing 3-D superposition optimization, when it can be determined that two conformers cannot possibly be a neighbor. Most filters are based on Tanimoto equation volume constraints, avoiding incompatible conformers; however, others consider preliminary superposition between conformers using reference shapes.</p> <p>Conclusion</p> <p>The "Similar Conformers" 3-D neighboring relationship locates similar small molecules of biological interest that may go unnoticed when using traditional 2-D chemical structure graph-based methods, making it complementary to such methodologies. The computational cost of 3-D similarity methodology on a wide scale, such as PubChem contents, is a considerable issue to overcome. Using a series of efficient filters, an effective throughput rate of more than 150,000 conformers per second per processor core was achieved, more than two orders of magnitude faster than without filtering.</p

    A coherent picture of water at extreme negative pressure.

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    International audienceLiquid water at atmospheric pressure can be supercooled to 41 C (ref. 1) and superheated to C302 C (ref. 2). Experiments involving fluid inclusions of water in quartz suggest that water is capable of sustaining pressures as low as 140 MPa before it breaks by cavitation3. Other techniques, for which cavitation occurs consistently at around 30MPa (ref. 4), produce results that cast doubt on this claim. Here we reproduce the fluid-inclusion experiment, performing repeated measurements on a single sample--a method used in meteorology5, bioprotection6 and protein crystallization7, but not yet in liquid water under large mechanical tension. The resulting cavitation statistics are characteristic of a thermally activated process, and both the free energy and the volume of the critical bubble are well described by classical nucleation theory when the surface tension is reduced by less than 10%, consistent with homogeneous cavitation. The line of density maxima of water at negative pressure is found to reach 922:8 kgm3 at around 300 K, which further constrains its contested phase diagram

    Physics of Neutron Star Crusts

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    The physics of neutron star crusts is vast, involving many different research fields, from nuclear and condensed matter physics to general relativity. This review summarizes the progress, which has been achieved over the last few years, in modeling neutron star crusts, both at the microscopic and macroscopic levels. The confrontation of these theoretical models with observations is also briefly discussed.Comment: 182 pages, published version available at <http://www.livingreviews.org/lrr-2008-10

    Spatial Learning and Action Planning in a Prefrontal Cortical Network Model

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    The interplay between hippocampus and prefrontal cortex (PFC) is fundamental to spatial cognition. Complementing hippocampal place coding, prefrontal representations provide more abstract and hierarchically organized memories suitable for decision making. We model a prefrontal network mediating distributed information processing for spatial learning and action planning. Specific connectivity and synaptic adaptation principles shape the recurrent dynamics of the network arranged in cortical minicolumns. We show how the PFC columnar organization is suitable for learning sparse topological-metrical representations from redundant hippocampal inputs. The recurrent nature of the network supports multilevel spatial processing, allowing structural features of the environment to be encoded. An activation diffusion mechanism spreads the neural activity through the column population leading to trajectory planning. The model provides a functional framework for interpreting the activity of PFC neurons recorded during navigation tasks. We illustrate the link from single unit activity to behavioral responses. The results suggest plausible neural mechanisms subserving the cognitive “insight” capability originally attributed to rodents by Tolman & Honzik. Our time course analysis of neural responses shows how the interaction between hippocampus and PFC can yield the encoding of manifold information pertinent to spatial planning, including prospective coding and distance-to-goal correlates
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