Setting local rank constraints by orthogonal projections for image resolution analysis: Application to the determination of a low dose pharmaceutical compound

Raman chemical imaging provides chemical and spatial information about pharmaceutical drug product. By using resolution methods on acquired spectra, the objective is to calculate pure spectra and distribution maps of image compounds. With multivariate curve resolution-alternating least squares, constraints are used to improve the performance of the resolution and to decrease the ambiguity linked to the final solution. Non negativity and spatial local rank constraints have been identified as the most powerful constraints to be used.     

Lithium Insertion Mechanism in Iron-Based Oxyfluorides with Anionic Vacancies Probed by PDF Analysis

The mechanism of lithium insertion that occurs in an iron oxyfluoride sample with a hexagonal–tungsten–bronze (HTB)-type structure was investigated by the pair distribution function. This study reveals that upon lithiation, the HTB framework collapses to yield disordered rutile and rock salt phases followed by a conversion reaction of the fluoride phase toward lithium fluoride and nanometer-sized metallic iron. The occurrence of anionic vacancies in the pristine framework was shown to strongly impact the electrochemical activity, that is, the reversible capacity scales with the content of anionic vacancies. Similar to FeOF-type electrodes, upon de-lithiation, a disordered rutile phase forms, showing that the anionic chemistry dictates the atomic arrangement of the re-oxidized phase. Finally, it was shown that the nanoscaling and structural rearrangement induced by the conversion reaction allow the in situ formation of new electrode materials with enhanced electrochemical properties.     

Parametric and Non Homogeneous Semi-Markov Process for HIV Control

In AIDS control, physicians have a growing need to use pragmatically useful and interpretable tools in their daily medical taking care of patients. Semi-Markov process seems to be well adapted to model the evolution of HIV-1 infected patients. In this study, we introduce and define a non homogeneous semi-Markov (NHSM) model in continuous time. Then the problem of finding the equations that describe the biological evolution of patient is studied and the interval transition probabilities are computed. A parametric approach is used and the maximum likelihood estimators of the process are given. A Monte Carlo algorithm is presented for realizing non homogeneous semi-Markov trajectories. As results, interval transition probabilities are computed for distinct times and follow-up has an impact on the evolution of patients.      

Necessary conditions for multistationarity in discrete dynamical systems

R. Thomas conjectured, 20 years ago, that the presence of a positive circuit in the interaction graph of a dynamical system is a necessary condition for the presence of several stable states. Recently, E. Remy et al. stated and proved the conjecture for Boolean dynamical systems. Using a similar approach, we generalize the result to discrete dynamical systems, and by focusing on the asynchronous dynamics that R. Thomas used in the course of his analysis of genetic networks, we obtain a more general variant of R. Thomas’ conjecture. In this way, we get a necessary condition for genetic networks to lead to differentiation.     

Dynamical shape gradient for the Navier–Stokes system

This Note deals with the sensitivity analysis of a newtonian incompressible fluid driven by the Navier–Stokes equations with respect to the dynamic of the fluid domain boundary. The structure of the gradient with respect to the velocity of the domain for a given cost function is established. This result is obtained using new shape derivation tools for Eulerian functionals and the Min–Max derivation principle. To cite this article: R. Dziri et al., C. R. Acad. Sci. Paris, Ser. I 338 (2004).     

The Gross-Neveu model at finite temperature at next-to-leading order in the 1/N expansion

We present new results on the Gross-Neveu model at finite temperature and at next-to-leading order in the 1/N expansion. In particular, a new expression is obtained for the effective potential which is explicitly invariant under renormalization group transformations. The model is used as a playground to investigate various features of field theory at finite temperature. For example we verify that, as expected from general arguments, the cancellation of ultraviolet divergences takes place at finite temperature without the need for introducing counterterms beyond those of zero temperature. As well known, the discrete chiral symmetry of the (1+1)-dimensional model is spontaneously broken at zero temperature and restored, in leading order, at some temperature T_c; we find that the 1/N approximation breaks down for temperatures below T_c: as the temperature increases, the fluctuations become eventually too large to be treated as corrections, and a Landau pole invalidates the calculation of the effective potential in the vicinity of its minimum. Beyond T_c, the 1/N expansion becomes again regular: it predicts that in leading order the system behaves as a free gas of massless fermions and that, at the next-to-leading order, it remains weakly interacting. In the limit of large temperature, the pressure coincides with that given by perturbation theory with a coupling constant defined at a scale of the order of the temperature, as expected from asymptotic freedom.     

Barycentric coordinates for convex sets

In this paper we provide an extension of barycentric coordinates from simplices to arbitrary convex sets. Barycentric coordinates over convex 2D polygons have found numerous applications in various fields as they allow smooth interpolation of data located on vertices. However, no explicit formulation valid for arbitrary convex polytopes has been proposed to extend this interpolation in higher dimensions. Moreover, there has been no attempt to extend these functions into the continuous domain, where barycentric coordinates are related to Green’s functions and construct functions that satisfy a boundary value problem. First, we review the properties and construction of barycentric coordinates in the discrete domain for convex polytopes. Next, we show how these concepts extend into the continuous domain to yield barycentric coordinates for continuous functions. We then provide a proof that our functions satisfy all the desirable properties of barycentric coordinates in arbitrary dimensions. Finally, we provide an example of constructing such barycentric functions over regions bounded by parametric curves and show how they can be used to perform freeform deformations.      

Task Specific Onium Salts and Ionic Liquids as Soluble Supports in Grieco ’s Multicomponent Synthesis of Tetrahydroquinolines

In this work was presented an application of the use of task specific onium salts (TSOSs) as soluble supports in Grieco’s multicomponent synthesis of tetrahydroquinolines. These soluble supports are of wide applicability and combine advantages of solid phase synthesis without its limitations with those of solution phase chemistry. After a simple washing step, products were cleaved from the supports and obtained in pure form and good yields.