Modélisation du champ des vitesses de l'urine dans un bolus urétéralModelling of urine flow in an ureteral bolus

Urine transport is made from the kidney to the bladder through the ureter by isolated pockets called bolus. To determine the urine flow in a bolus, we use an adherence condition on the interface urine/wall. It gives us an infinite linear system verified by a set of parameters. An iterative and convergent algorithm allows us to solve this system and to determine analytically the components of the velocity vector in the bolus. To cite this article: A. Vogel et al., C. R. Mecanique 332 (2004).     

High-Resolution Spectrum and Rovibrational Analysis of the nu(2)/nu(5) Dyad of D(3)SiF near 700 cm(-1)

The nu(2) (A(1), 710.157 cm(-1)) and nu(5) (E, 701.717 cm(-1)) fundamental bands of D(3)(28)SiF have been studied by FTIR spectroscopy with a resolution of 2.4 x 10(-3) cm(-1). We assigned 1648 lines for the parallel band (J(max) = 50, K(max) = 21), 4279 for the perpendicular band (J(max) = 52, K(max) = 27), and in addition 671 perturbation-allowed transitions (J(max) = 50, K(max) = 12). The nearly degenerate v(2) = 1 and v(5) = 1 states are linked by (DeltaK = +/-1, Deltal = +/-1) and (DeltaK = +/-2, Deltal = -/+1) interactions, while the l(5) = +/-1 levels of nu(5) interact also by l(2, -1), l(2, 2), and l(2, -4) interactions. The first model with 36 free parameters, taking into account all these resonances through a nonlinear least-squares program, gave standard deviations of 1.56 x 10(-4) cm(-1) for 5997 nonzero-weighted IR data and 138 kHz for 8 MW data from the literature. The second model, in which the main Coriolis term was constrained to a force field value, used 37 parameters and gave similar standard deviations. A new determination of the A(0) and D(0)(K) ground state parameters was performed by two methods: either using differences between "forbidden" transitions differing by 3 in K or letting A(0) and D(0)(K) free in the global fit. The values obtained are fully compatible with those obtained previously by the "loop method." Copyright 2000 Academic Press.     

Adaptive Diagnosis for Fault Tolerant Data Fusion Based on α-Rényi Divergence Strategy for Vehicle Localization

When applying a diagnostic technique to complex systems, whose dynamics, constraints, and environment evolve over time, being able to re-evaluate the residuals that are capable of detecting defaults and proposing the most appropriate ones can quickly prove to make sense. For this purpose, the concept of adaptive diagnosis is introduced. In this work, the contributions of information theory are investigated in order to propose a Fault-Tolerant multi-sensor data fusion framework. This work is part of studies proposing an architecture combining a stochastic filter for state estimation with a diagnostic layer with the aim of proposing a safe and accurate state estimation from potentially inconsistent or erroneous sensors measurements. From the design of the residuals, using α-Rényi Divergence (α-RD), to the optimization of the decision threshold, through the establishment of a function that is dedicated to the choice of α at each moment, we detail each step of the proposed automated decision-support framework. We also dwell on: (1) the consequences of the degree of freedom provided by this α parameter and on (2) the application-dictated policy to design the α tuning function playing on the overall performance of the system (detection rate, false alarms, and missed detection rates). Finally, we present a real application case on which this framework has been tested. The problem of multi-sensor localization, integrating sensors whose operating range is variable according to the environment crossed, is a case study to illustrate the contributions of such an approach and show the performance.     

Cleavage of the C---Se bond of cyclic selenoacetals derived from 4-t-butyl cyclohexanone with butyllithiums and tin and silyl hydrides

Selenoacetals derived from 1,3-propanediselenol and 1,2-ethanediselenol are much less prone to be cleaved by butyllithiums than their open chain analogues. The stereochemistry of the products resulting from these reactions as well as from the cleavage of the C---Se bond under radical conditions is disclosed.     

Weighted least squares,polyad analyses,and theoretical consistency: A demonstrative example: The 12CH3F molecule

A comprehensive approach of the simultaneous analysis of several complex vibrational polyads in polyatomic molecules is presented. Specific points regarding theoretical models and weighted least-squares procedures are discussed with the aim of determining a unique set of parameter values for reproducing all available data on a given molecule. The simultaneous analysis of the dyad $\text{ν}{}_2\text{ν}{}_5$ and the pentad $\text{ν}{}_1\text{/ν}{}_4\text{/2ν}{}_2\text{/ν}{}_2\text{+}\text{ν}{}_5\text{2ν}{}_5$ of ¹²CH₃F using microwave and infrared data is reported as an illustration.     

Synthesis of selenolates from stannyl and silyl alkylselenides

Stannyl and silyl alkylselenides have been efficiently transformed to the corresponding alkylselenolates on reaction with butyllithiums. Other conditions proved to be limited.     

Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design

The RNA helicase (non-structural protein 13, NSP13) of SARS-CoV-2 is essential for viral replication, and it is highly conserved among the coronaviridae family, thus a prominent drug target to treat COVID-19. We present here structural models and dynamics of the helicase in complex with its native substrates based on thorough analysis of homologous sequences and existing experimental structures. We performed and analysed microseconds of molecular dynamics (MD) simulations, and our model provides valuable insights to the binding of the ATP and ssRNA at the atomic level. We identify the principal motions characterising the enzyme and highlight the effect of the natural substrates on this dynamics. Furthermore, allosteric binding sites are suggested by our pocket analysis. Our obtained structural and dynamical insights are important for subsequent studies of the catalytic function and for the development of specific inhibitors at our characterised binding pockets for this promising COVID-19 drug target.

The RNA helicase (non-structural protein 13, NSP13) of SARS-CoV-2 is essential for viral replication, and it is highly conserved among the coronaviridae family, thus a prominent drug target to treat COVID-19.     

Coumarinic fluorescent chemosensors for the detection of transition metal ions

Fluoroionophores consisting of coumarin-153 linked to mono- and diaza-crown ethers are able to complex transition metal cations (Ni²⁺, Zn²⁺, Cd²⁺) and Pb²⁺, with concomitant large changes in photophysical properties. The stability constants in acetonitrile are higher than 3×10⁶ M ^–1 except for Ni²⁺.     

Lewis Acid–Doped Natural Phosphate: New Catalysts for the One‐Pot Synthesis of 3,4‐Dihydropyrimdin‐2(1H)‐one

Inexpensive and readily available natural phosphate doped with metal halides is used to efficiently catalyze the three‐component condensation reaction of an aldehyde, a beta‐keto ester, and urea to afford the corresponding dihydropyrimidin‐2(1H)‐ones in high yields.     

Transesterification of Methylbenzoate with Alcohols Catalyzed by Natural Phosphate

Transesterification of methylbenzoate with various alcohols was catalyzed by natural phosphate with or without solvent in heterogeneous media. The molar ratio of alcohol/ester, solvent effect, and weight of catalyst effect have been studied. We have found that the nature of alcohol and the reaction temperature play an important role in the transesterification process. The catalyst can be regenerated and reused without lost of activity.