Dilational rheology of an air–water interface functionalized by biomolecules: the role of surface diffusion

As an attempt to develop a sensitive device for biomolecule detection, a micromechanical methodology based on the rheological change of an air–water interface is put forward (Berthier and Davoust, CEA/CNRS patent, PCT International Application WO 2003/080209 A3, 2003). Capillary waves induced from the vertical electrodynamic vibration of a brimful cylindrical tank filled with water stand as a good way to identify dilational elasticity and viscosity of an aging interface. Before, we were interested of the fact that complex wave number and the frequency of waves are obtained through an optical technique, which allows us to accurately recognize the whole interface geometry. These two parameters, a modeling based on a dispersion relation (Lucassen-Reynders and Lucassen, Adv Colloid Interface Sci, 2:347, 1969) and the surface mass transport equation, are jointly used to identify the surface diffusivity and the dilational rheology of the interface for a nonsoluble biochemical surfactant. Preliminary results obtained from a water surface functionalized by DNA, thanks to a lipidic monolayer, demonstrate the capabilities of the proposed methodology. The sensitivity of dilational rheology and the surface diffusivity on DNA adsorption on lipids is made evident.This paper was presented at the Annual Meeting of the European Society of Rheology, Grenoble, April 2005.     

CS2 Reductive Coupling to Acetylenedithiolate by a Dinuclear Ytterbium(II) Complex

The activation of CS₂ is of interest in a broad range of fields and, more particularly, in the context of creating new C−C bonds. The reaction of the dinuclear ytterbium(II) complex [Yb₂L₄], 1 , [L=(OtBu)₃SiO⁻] with carbon disulfide led to the isolation of unprecedented reduction products. In particular, the crystallographic characterization of complex [Yb₂L₄(μ-C₂S₂)], 2 , provided the first example of an acetylenedithiolate ligand formed from metal reduction of CS₂. Computational studies indicated that this unprecedented reactivity can be ascribed to the unusual binding mode of CS₂²⁻ in the isolated “key intermediate” [Yb₂L₄(μ-CS₂)], 3 , which results from the dinuclear nature of 1 .     

Dearomatization of 3-Nitroindoles with Highly γ-Functionalized Allenoates in Formal (3+2) Cycloadditions

3-Nitroindoles are easily reacted with highly substituted γ-allenoates in the presence of a commercially available phosphine catalyst. For instance, allenoates derived from biomolecules such as amino and deoxycholic acids are combined for the first time with 3-nitroindole. The corresponding dearomatized (3+2) tricyclic cycloadducts are obtained as α-regioisomers exclusively. DFT computations shed light on this multi-step reaction mechanism and on the selectivities observed in the sequence.     

Analysis of several subcycling schemes in partitioned simulations of a strongly coupled fluid-structure interaction

Fluid-structure interaction (FSI) simulations are used extensively to calculate the vibration of structures subjected to an internal or external flow. In the case of partitioned FSI simulations, separate flow and structure solvers are used, which requires some kind of coupling between both. The time step in both solvers is typically taken the same, but this unnecessarily leads to long calculation times when the time step is small due to stability reasons in one of the two solvers. Subcycling, the procedure where the time step of one solver is chosen smaller than the time step used in the other solver, may reduce the computational cost of the FSI simulation. The subcycling procedure can be either explicit or implicit, the latter implying the use of coupling iterations in each time step. Contrary to explicit subcycling, no stability analyses of implicit subcycling schemes are found in the literature. In this paper, the temporal stability of the implicit subcycling procedure is investigated. The one-dimensional flow in an elastic cylindrical tube is studied analytically. The results of this analysis are subsequently compared to a partitioned two-dimensional axisymmetric FSI calculation with implicit coupling between the flow and structure solvers.     

Stable Extrapolation of Analytic Functions

Foundations of Computational Mathematics - This paper examines the problem of extrapolation of an analytic function for $$x > 1$$ given $$N+1$$ perturbed samples from an equally spaced grid...     

A Primal–Dual Splitting Method for Convex Optimization Involving Lipschitzian, Proximable and Linear Composite Terms

We propose a new first-order splitting algorithm for solving jointly the primal and dual formulations of large-scale convex minimization problems involving the sum of a smooth function with Lipschitzian gradient, a nonsmooth proximable function, and linear composite functions. This is a full splitting approach, in the sense that the gradient and the linear operators involved are applied explicitly without any inversion, while the nonsmooth functions are processed individually via their proximity operators. This work brings together and notably extends several classical splitting schemes, like the forward–backward and Douglas–Rachford methods, as well as the recent primal–dual method of Chambolle and Pock designed for problems with linear composite terms.     

Schistosomiasis Chemotherapy

After malaria, schistosomiasis (or bilharzia) is the second most prevalent disease in Africa, and is occurring in over 70 countries in tropical and subtropical regions. It is estimated that 600 million people are at risk of infection, 200 million people are infected, and at least 200 000 deaths per year are associated with the disease. All schistosome species are transmitted through contact with fresh water that is infested with free‐swimming forms of the parasite, which is known as cercariae and produced by snails. When located in the blood vessels of the host, larval and adult schistosomes digest red cells to acquire amino acids for growth and development. Vaccine candidates have been unsuccessful up to now. Against such devastating parasitic disease, the antischistosomal arsenal is currently limited to a single drug, praziquantel, which has been used for more than 35 years. Because the question of the reduction of the activity of praziquantel was raised recently, it is thus urgent to create new and safe antischistosomal drugs that should be combined with praziquantel to develop efficient bitherapies.