pinecone/core-2020-05-10-deduplication huggingface dataset:
Reactivity of cationic gold(I) carbene complexes toward oxidative addition of bromine

We have synthesized and characterized several cationic complexes of gold(I) of the type [Au(L1)(L2)]+\ud
(L1 = NHC, L2 = DIC; L1 = NHC, L2 = NAC; L1 = NAC, L2 = DIC; L1 = L2 = NAC; NHC = N-heterocyclic carbene;\ud
NAC = N-acyclic carbene, DIC = 2,6-dimethylphenylisocyanide).\ud
The complexes of type [Au(NHC)(DIC)]+ react with a slight excess of Br2 yielding the corresponding\ud
gold(III) species [Au(NHC)(DIC)Br2]+. The latter decompose with a rate that is modulated by the nature\ud
of the ancillary ligands. The oxidative addition of Br2 to complexes of the type [Au(NHC)(NAC)]+\ud
and [Au(L)(NAC)]+ (L = DIC, NAC) has been also carried out and the ensuing gold(III) derivatives\ud
[Au(NHC)(NAC)Br2]+ and [Au(NAC)2Br2]+ are stable in solution whereas the complex [Au(NAC)(DIC)Br2]+\ud
decomposes. Finally, on the basis of kinetic studies we have proposed propose a mechanism involving a\ud
fast pre-equilibrium forming an adduct containing the starting complex and Br2 followed by a slow rearrangement\ud
of the latter to yield the final gold(III) derivatives
Structural stability of Lattice Boltzmann schemes

International audienceThe goal of this work is to determine classes of traveling solitary wave solutions for Lattice Boltzmann schemes by means of an hyperbolic ansatz. It is shown that spurious solitary waves can occur in finite-difference solutions of nonlinear wave equation. The occurence of such a spurious solitary wave, which exhibits a very long life time, results in a non-vanishing numerical error for arbitrary time in unbounded numerical domain. Such a behavior is referred here to have a structural instability of the scheme, since the space of solutions spanned by the numerical scheme encompasses types of solutions (solitary waves in the present case) that are not solutions of the original continuous equations. This paper extends our previous work about classical schemes to Lattice Boltzmann schemes ([1], [2], [3],[4])
Heterozygous Mutations in BMP6 Pro-peptide Lead to Inappropriate Hepcidin Synthesis and Moderate Iron Overload in Humans

International audienceBackground & Aims Hereditary hemochromatosis is a heterogeneous group of genetic disorders characterized by parenchymal iron overload. It is caused by defective expression of liver hepcidin, the main regulator of iron homeostasis. Iron stimulates the gene encoding (HAMP) hepcidin via the BMP6 signaling to SMAD. Although several genetic factors have been found to cause late-onset hemochromatosis, many patients have unexplained signs of iron overload. We investigated BMP6 function in these individuals. Methods We sequenced the BMP6 gene in 70 consecutive patients with moderate increase in serum ferritin and liver iron who did not carry genetic variants associated with hemochromatosis. We searched for BMP6 mutations in relatives of 5 probands and in 200 healthy individuals (controls), as well as in two other independent cohorts of hyperferritinemia patients. We measured serum levels of hepcidin by liquid chromatography-tandem mass spectrometry and analyzed BMP6 in liver biopsies from patients by immunohistochemistry. The functions of mutant and normal BMP6 were assessed in transfected cells using immunofluorescence, real-time quantitative PCR, and immunoblot analyses. Results We identified 3 heterozygous missense mutations in BMP6 (p.Pro95Ser, p.Leu96Pro, and p.Gln113Glu) in 6 unrelated patients with unexplained iron overload (9% of our cohort). These mutations were detected in less than 1% of controls. The p.Leu96Pro was also found in 2 patients from the additional cohorts. Family studies indicated dominant transmission. Serum levels of hepcidin were inappropriately low in patients. A low level of BMP6, compared with controls, was found in a biopsy from 1 patient. In cell lines, the mutated residues in the BMP6 propeptide resulted in defective secretion of BMP6; reduced signaling via SMAD1, SMAD5, and SMAD8; and loss of hepcidin production. Conclusions We identified 3 heterozygous missense mutations in BMP6 in patients with unexplained iron overload. These mutations lead to loss of signaling to SMAD proteins and reduced hepcidin production. These mutations might increase susceptibility to mild-to-moderate late onset iron overload
Powers of the likelihood ratio test and the correlation test using empirical bayes estimates for various shrinkages in population pharmacokinetics.

International audienceWe compared the powers of the likelihood ratio test (LRT) and the Pearson correlation test (CT) from empirical Bayes estimates (EBEs) for various designs and shrinkages in the context of nonlinear mixed-effect modeling. Clinical trial simulation was performed with a simple pharmacokinetic model with various weight (WT) effects on volume (V). Data sets were analyzed with NONMEM 7.2 using first-order conditional estimation with interaction and stochastic approximation expectation maximization algorithms. The powers of LRT and CT in detecting the link between individual WT and V or clearance were computed to explore hidden or induced correlations, respectively. Although the different designs and variabilities could be related to the large shrinkage of the EBEs, type 1 errors and powers were similar in LRT and CT in all cases. Power was mostly influenced by covariate effect size and, to a lesser extent, by the informativeness of the design. Further studies with more models are needed
A Mechanism-Based Explanation of the Institutionalization of Semantic Technologies in the Financial Industry

Part 3: Creating Value through ApplicationsInternational audienceThis paper explains how the financial industry is solving its data, risk management, and associated vocabulary problems using semantic technologies. The paper is the first to examine this phenomenon and to identify the social and institutional mechanisms being applied to socially construct a standard common vocabulary using ontology-based models. This standardized ontology-based common vocabulary will underpin the design of next generation of semantically-enabled information systems (IS) for the financial industry. The mechanisms that are helping institutionalize this common vocabulary are identified using a longitudinal case study, whose embedded units of analysis focus on central agents of change—the Enterprise Data Management Council and the Object Management Group. All this has important implications for society, as it is intended that semantically-enabled IS will, for example, provide stakeholders, such as regulators, with better transparency over systemic risks to national and international financial systems, thereby mitigating or avoiding future financial crises
Innovation and international technology transfer: The case of the Chinese photovoltaic industry

CERNA WORKING PAPER SERIES 2010-12International audienceChina is the largest solar photovoltaic cell producer in the world, with more than one third of worldwide production in 2008, exporting more than 95 percent of what it produces. The purpose of this paper is to understand the drivers of this success and its limits, with a particular emphasis on the role of technology transfers and innovation. Our analysis combines a review of international patent data at a detailed technology level with field interviews of ten Chinese PV companies. We show that Chinese producers have acquired the technologies and skills necessary to produce PV products through two main channels: the purchasing of manufacturing equipment in a competitive international market and the recruitment of skilled executives from the Chinese diaspora who built pioneer PV firms. The success of these firms in their market is, however, not reflected in their performance in terms of innovation. Rather, patent data rather highlight a policy-driven effort to catch up in critical technological areas
A model of influence in a social network

International audienceIn the paper, we study a model of influence in a social network. It is assumed that each player has an inclination to say YES or NO which, due to influence of other players, may be different from the decision of the player. The point of departure here is the concept of the Hoede-Bakker index - the notion which computes the overall decisional 'power' of a player in a social network. The main drawback of the Hoede-Bakker index is that it hides the actual role of the influence function, analyzing only the final decision in terms of success and failure. In this paper, we separate the influence part from the group decision part, and focus on the description and analysis of the influence part. We propose among other descriptive tools a definition of a (weighted) influence index of a coalition upon an individual. Moreover, we consider different influence functions representative of commonly encountered situations. Finally, we propose a suitable definition of a modified decisional power
Advanced Monte Carlo methods for barrier and related exotic options

International audienceIn this work, we present advanced Monte Carlo techniques applied to the pricing of barrier options and other related exotic contracts. It covers in particular the Brownian bridge approaches, the barrier shifting techniques (BAST) and their extensions as well. We leverage the link between discrete and continuous monitoring to design efficient schemes, which can be applied to the Black-Scholes model but also to stochastic volatility or Merton's jump models. This is supported by theoretical results and numerical experiments
Boolean Network Identification from Perturbation Time Series Data combining Dynamics Abstraction and Logic Programming

International audienceBoolean networks (and more general logic models) are useful frameworks to study signal transduction across multiple pathways. Logic models can be learned from a prior knowledge network structure and multiplex phosphoproteomics data. However, most efficient and scalable training methods focus on the comparison of two time-points and assume that the system has reached an early steady state. In this paper, we generalize such a learning procedure to take into account the time series traces of phosphoproteomics data in order to discriminate Boolean networks according to their transient dynamics. To that end, we identify a necessary condition that must be satisfied by the dynamics of a Boolean network to be consistent with a discretized time series trace. Based on this condition, we use Answer Set Programming to compute an over-approximation of the set of Boolean networks which fit best with experimental data and provide the corresponding encodings. Combined with model-checking approaches, we end up with a global learning algorithm. Our approach is able to learn logic models with a true positive rate higher than 78% in two case studies of mammalian signaling networks; for a larger case study, our method provides optimal answers after 7 minutes of computation. We quantified the gain in our method predictions precision compared to learning approaches based on static data. Finally, as an application, our method proposes erroneous time-points in the time series data with respect to the optimal learned logic models
Collective interest vs. individual interest in Bentham's Felicific Calculus. Questioning welfarism and fairness

International audienceThe core idea of utilitarianism for Bentham is to establish that only individual utilities count in social welfare. There can be two distinct interpretations of this apparently simple principle. According to one view, individual utilities represent the basic information for the calculation of social welfare: this is how utilitarianism works. According to a second view, social welfare is maximized if and only if individual utilities are maximized: this is what justifies utilitarianism. This aim of this paper is to show: that these two interpretations should not be confused; that they correspond to distinct definitions of welfarism; that they are likely to conflict; and that as a consequence we can draw important and surprising conclusions for political philosophy and economic science. One such conclusion is that fairness should be prior to goodness in a consistent Benthamian doctrine
Renormalized non-perturbative scalar and fermions models in Covariant Light Front Dynamics

présentation faite par J.F. mathiotWithin the framework of the Covariant formulation of Light-Front Dynamics, we develop a general non-perturbative renormalization scheme, based on the Fock decomposition of the state vector and its truncation. The explicit dependence of our formalism on the orientation of the light front, defined by a light-like four vector $\omega$, is essential in order to analyze the structure of the counterterms needed to renormalize the theory. We illustrate our framework for scalar and fermion model
Medical images simulation storage and processing on the European DataGrid testbed

International audienceThe European IST DataGrid project was a pioneer in identifying the medical imaging field as an application domain that can benefit from grid technologies. This paper describes how and for which purposes medical imaging applications can be grid-enabled. Applications that have been deployed on the DataGrid testbed and middleware are described. They relate to medical image manipulation, including image production, secured image storage, and image processing. Results show that grid technologies are still in their youth to address all issues related to complex medical imaging applications. If the benefit of grid enabling for some medical applications is clear, there remain opened research and technical issues to develop and integrate all necessary services
Cancer research in need of a scientific revolution: Using 'paradigm shift' as a method of investigation.

International audienceDespite important human and financial resources and considerable accumulation of scientific publications, patents, and clinical trials, cancer research has been slow in achieving a therapeutic revolution similar to the one that occurred in the last century for infectious diseases. It has been proposed that science proceeds not only by accumulating data but also through paradigm shifts. Here, we propose to use the concept of 'paradigm shift' as a method of investigation when dominant paradigms fail to achieve their promises. The first step in using the 'paradigm shift' method in cancer research requires identifying its founding paradigms. In this review, two of these founding paradigms will be discussed: (i) the reification of cancer as a tumour mass and (ii) the translation of the concepts issued from infectious disease in cancer research. We show how these founding paradigms can generate biases that lead to over-diagnosis and over-treatment and also hamper the development of curative cancer therapies. We apply the 'paradigm shift' method to produce perspective reversals consistent with current experimental evidence. The 'paradigm shift' method enlightens the existence of a tumour physiologic-prophylactic-pathologic continuum. It integrates the target/antitarget concept and that cancer is also an extracellular disease. The 'paradigm shift' method has immediate implications for cancer prevention and therapy. It could be a general method of investigation for other diseases awaiting therap
Parameterized Lower Bounds and Dichotomy Results for the NP-completeness of H-free Edge Modification Problems

For a graph H, the H-free Edge Deletion problem asks whether there exist at most k edges whose deletion from the input graph G results in a graph without any induced copy of H. H-free Edge Completion and H-free Edge Editing are defined similarly where only completion (addition) of edges are allowed in the former and both completion and deletion are allowed in the latter. We completely settle the classical complexities of these problems by proving that H-free Edge Deletion is NP-complete if and only if H is a graph with at least two edges, H-free Edge Completion is NP-complete if and only if H is a graph with at least two non-edges and H-free Edge Editing is NP-complete if and only if H is a graph with at least three vertices. Our result on H-free Edge Editing resolves a conjecture by Alon and Stav (2009). Additionally, we prove that, these NP-complete problems cannot be solved in parameterized subexponential time, i.e., in time 2o(k)⋅|G|O(1), unless Exponential Time Hypothesis fails. Furthermore, we obtain implications on the incompressibility of these problems
Modifications of the endosomal compartment in peripheral blood mononuclear cells and fibroblasts from Alzheimer’s disease patients

International audienceIdentification of blood-based biomarkers of Alzheimer’s disease (AD) remains a challenge. Neuropathological studies have identified enlarged endosomes in post-mortem brains as the earliest cellular change associated to AD. Here the presence of enlarged endosomes was investigated in peripheral blood mononuclear cells from 48 biologically defined AD patients (25 with mild cognitive impairment and 23 with dementia (AD-D)), and 23 age-matched healthy controls using immunocytochemistry and confocal microscopy. The volume and number of endosomes were not significantly different between AD and controls. However, the percentage of cells containing enlarged endosomes was significantly higher in the AD-D group as compared with controls. Furthermore, endosomal volumes significantly correlated to [C11]PiB cortical index measured by positron emission tomography in the AD group, independently of the APOE genotype, but not to the levels of amyloid-beta, tau and phosphorylated tau measured in the cerebrospinal fluid. Importantly, we confirmed the presence of enlarged endosomes in fibroblasts from six unrelated AD-D patients as compared with five cognitively normal controls. This study is the first, to our knowledge, to report morphological alterations of the endosomal compartment in peripheral cells from AD patients correlated to amyloid load that will now be evaluated as a possible biomarker
Lead in ancient Rome's city waters

International audienceIt is now universally accepted that utilization of lead for domestic purposes and water distribution presents a major health hazard. The ancient Roman world was unaware of these risks. How far the gigantic network of lead pipes used in ancient Rome compromised public health in the city is unknown. Lead isotopes in sediments from the harbor of Imperial Rome register the presence of a strong anthropogenic component during the beginning of the Common Era and the Early Middle Ages. They demonstrate that the lead pipes of the water distribution system increased Pb contents in drinking water of the capital city by up to two orders of magni-tude over the natural background. The Pb isotope record shows that the discontinuities in the pollution of the Tiber by lead are intimately entwined with the major issues affecting Late Antique Rome and its water distribution system. harbor geoarcheology | paleopollution | Late Holocene | ore provenance | sedimentology S tatistics on demography, money supply and metal circulation, life and health standards, and many other social parameters required to understand modern history are largely missing from the written record of the ancient past. For example, the ap-parently simple question of how the population of ancient Rome evolved is still unresolved (1, 2), prompting the design of indirect estimates (3). Another well-publicized problem illus-trating the lack of primary sources of accurate information is the decade-old debate on Pb poisoning of the high society of Rome, either by lead water pipes or grape juice concoctions prepared in lead cups (4–9). Here we focus on the condition of Pb in the public waters of ancient Rome. Lead is regarded as a powerful and ubiquitous indicator of the manufacturing status of a society. For example, a surge in Pb concentrations in the Greenland ice-core record was correlated with the height of the Roman Empire (10). Three out of the four existing Pb isotopes are rapidly modified by the radioactive decay of nat-ural uranium or thorium over geological time. The mining of ores from geologically diverse areas produces metallic Pb with variable isotopic abundances that depend on the tectonic age and the Th/U and U/Pb ratios of the mining district. Arche-ologists interested in the provenance of artifacts routinely tap this wealth of information (11). To explore how the supply of metals from all over the Roman world and their utilization may have affected the nearby environment of ancient Rome, the present work sets out to investigate the isotope compositions of Pb in sediment cores from the Trajanic harbor basin at Portus, the maritime port of Imperial Rome, and the channel connecting Portus with the Tiber (Canale Romano) (Fig. S1). Harbors are excellent sedimentary traps. The record of human Pb pollution from the time that the harbor basin was excavated (ca. 112 AD) and well into the Middle Ages offers a new his-torical, ca
The Maxwell-Stefan diffusion limit for a kinetic model of mixtures with general cross sections

International audienceIn this article, we derive the Maxwell-Stefan formalism from the Boltzmann equation for mixtures for general cross-sections. The derivation uses the Hilbert asymptotic method for systems at low Knudsen and Mach numbers. We also formally prove that the Maxwell-Stefan coecients can be linked to the direct linearized Boltzmann operator for mixtures. That allows to compute the values of the Maxwell-Stefan diusion coecients with explicit and simple formulae with respect to the cross-sections. We also justify the specic ansatz we use thanks to the so-called moment method
Pressure correction staggered schemes for barotropic one-phase and two-phase flows

International audienceWe assess in this paper the capability of a pressure correction scheme to compute shock solutions of the homogeneous model for barotropic two-phase flows. This scheme is designed to inherit the stability properties of the continuous problem: the unknowns (in particular the density and the dispersed phase mass fraction y) are kept within their physical bounds, and the entropy of the system is conserved, thus providing an unconditional stability property. In addition, the scheme keeps the velocity and pressure constant through contact discontinuities. These properties are obtained by coupling the mass balance and the transport equation for y in an original pressure correction step. The space discretization is staggered; the numer- ical schemes which are considered are the Marker-And Cell (MAC) finite volume scheme and the nonconforming low-order Rannacher-Turek and Crouzeix-Raviart finite element approximation. In either case, a finite volume technique is used for all convection terms. Numerical experiments performed here show that, provided that a sufficient dissipation is introduced in the scheme, it converges to the (weak) solution of the continuous hyperbolic system. Observed orders of convergence for 1D Riemann problems as a function of the mesh and time step at constant CFL number vary with the studied case, and the CFL number and on the regularity of the solution. They range from 0.5 to greater than 1 for the velocity and the pressure; in most cases, the density and mass fraction converge with a 0.5 order. Finally, the scheme shows a satisfactory behaviour up to large CFL numbers
Prospects for CP violation in B0s → J/ψphi from first LHCb data

International audienceThe determination of the CP-violating phase in B0s → J/ψphi decays is one of the key goals of the LHCb experiment. Its value is predicted to be very small in the Standard Model but can be significantly enhanced in many models of New Physics. The steps towards a precise determination of this phase with a flavour-tagged, time-dependent, angular analysis of the decay B0s → J/ψphi will be reviewed and first studies performed with data collected at LHC in pp collisions at 7 TeV center-of-mass energy will be presented. Prospects are also given for the measurement of the flavour specific asymmetry using semileptonic B0d,s decays