Cesium-selective optode membrane based on the lipophilic calix[4]biscrown in the 1,3-alternate conformation.

One type of lipophilic calix[4]biscrowns in the 1,3-alternate conformation which are highly selective complexant for cesium has been used to construct cesium poly(vinyl chloride) (PVC) membrane optode. The reversible sensing system has been formed by incorporating the lipophilic neutral H(+)-selective chromoionophore ETH5294 in the plasticized PVC membrane with 1,3-calix[4]bisnaphtyl-crown-6. The measuring range of cesium ions can be conditioned by buffering different pH in the cesium solutions.

Neutron studies of magnetic oxide thin films.

We describe the use of neutron scattering techniques such as reflectivity and diffraction for the study of oxide thin films. We first describe how neutron reflectivity can complement x-ray reflectivity for the study of some oxide materials. We then emphasize magnetic thin films which have become an important field of study in the 1990s, following the discovery of new phenomena in heterostructures: magnetic exchange coupling, exchange bias coupling at antiferro/ferromagnetic interfaces, enhanced magnetism in ultrathin films or tunnel magnetoresistance for example.

Collective motion of self-propelled particles interacting without cohesion.

We present a comprehensive study of Vicsek-style self-propelled particle models in two and three space dimensions. The onset of collective motion in such stochastic models with only local alignment interactions is studied in detail and shown to be discontinuous (first-order-like). The properties of the ordered, collectively moving phase are investigated.

Towards the optimal design of numerical experiments.

This paper addresses the problem of the optimal design of numerical experiments for the construction of nonlinear surrogate models. We describe a new method, called learner disagreement from experiment resampling (LDR), which borrows ideas from active learning and from resampling methods: the analysis of the divergence of the predictions provided by a population of models, constructed by resampling, allows an iterative determination of the point of input space, where a numerical experiment should be performed in order to improve the accuracy of the predictor. The LDR method is illustrated on neural network models with bootstrap resampling, and on orthogonal polynomials with leave-one-out resampling.

Analysis of phase-shifted fiber Bragg gratings written with phase plates.

A method for obtaining phase-shifted Bragg gratings by use of phase plates is presented. A comparison of experimental and theoretical results allows us to describe the utility of such a component.

State-of-strain evaluation with fiber Bragg grating rosettes: application to discrimination between strain and temperature effects in fiber sensors.

An optical rosette that incorporates fiber Bragg gratings as strain gauges has been designed, fabricated, and tested. We investigated it by measuring the state of strain of a thin plate as the test structure submitted to an increasing load in a four-point bending configuration and for various angular orientations. This device has also been successfully investigated as a self-temperature-compensated in situ uniaxial strain sensor without any angular dependence and with high accuracy in recovery analysis, leading us to expect many industrial applications.

Beam-quality measurement of a focused high-order harmonic beam.

Using a multilayer spherical mirror, we focus the high-order harmonic radiation produced near 55 nm by the nonlinear interaction of an intense femtosecond laser pulse and a xenon gas jet. The focused XUV beam is characterized by a knife-edge technique in the focal region and by far-field imaging. We show that good-quality beams, nearly two times diffraction limited, can be generated, a conclusion that is at variance with recent predictions of harmonic phase-front distortion.

Isolated attosecond pulses using a detuned second-harmonic field.

Calculations are presented for the generation of an isolated attosecond pulse in a multicycle two-color strong-field regime. We show that the recollision of the electron wave packet can be confined to half an optical cycle using pulses of up to 40 fs in duration. The scheme is proven to be efficient using two intense beams, one producing a strong field at omega and the other a strong field detuned from 2omega.

Three-hole microstructured optical fiber for efficient fiber Bragg grating refractometer.

We present a photosensitive three-hole microstructured optical fiber specifically designed to improve the refractive index sensitivity of a standard fiber Bragg grating (FBG) sensor photowritten in the suspended Ge-doped silica core. We describe the specific photowriting procedure used to realize gratings in such a fiber. We then determine their spectral sensitivity to the refractive index changes of material filling the holes surrounding the core.

Variational theory of average-atom and superconfigurations in quantum plasmas.

Models of screened ions in equilibrium plasmas with all quantum electrons are important in opacity and equation of state calculations. Although such models have to be derived from variational principles, up to now existing models have not been fully variational. In this paper a fully variational theory respecting virial theorem is proposed-all variables are variational except the parameters defining the equilibrium, i.

Neutron diffraction and theoretical DFT studies of two dimensional molecular-based magnet K2[Mn(H2O)2]3[Mo(CN)7]2.6H2O.

Exchange mechanisms and magnetic structure in the two-dimensional cyano-bridged molecule-based magnet K2[Mn(H2O)2]3[Mo(CN)7]2.6H2O have been investigated by a combination of neutron diffraction studies on both single crystal and powder samples and theoretical DFT calculations. The experimental spin density has been deduced from a new refinement of previously obtained polarized neutron diffraction (PND) data which was collected in the ordered magnetic state at 4 K under a saturation field of 3 T performed in the C2/c space group, determined by an accurate re-evaluation of the X-ray structure.

Double plasma mirror for ultrahigh temporal contrast ultraintense laser pulses.

We present and characterize a very efficient optical device that employs the plasma mirror technique to increase the contrast of high-power laser systems. Contrast improvements higher than 10(4) with 50% transmission are shown to be routinely achieved on a typical 10 TW laser system when the pulse is reflected on two consecutive plasma mirrors. Used at the end of the laser system, this double plasma mirror preserves the spatial profile of the initial beam, is unaffected by shot-to-shot fluctuations, and is suitable for most high peak power laser systems.

Tilted Fiber Bragg Grating photowritten in microstructured optical fiber for improved refractive index measurement.

We report what we believe to be the first Tilted short-period Fiber Bragg Grating photowritten in a microstructured optical fiber for refractive index measurement. We investigate the spectral sensitivity of Tilted Fiber Bragg Grating to refractive index liquid inserted into the holes of a multimode microstructured fiber. We measure the wavelength shift of the first four modes experimentally observed when calibrated oils are inserted into the fiber holes, and thus we determine the refractive index resolution for each of these modes.

The gas-phase dipeptide analogue acetyl-phenylalanyl-amide: a model for the study of side chain/backbone interactions in proteins.

The issue of the influence of the side chain/backbone interaction on the local conformational preferences of a phenylalanine residue in a peptide chain is addressed. A synergetic approach is used, which combines gas-phase UV spectroscopy as well as gas-phase IR/UV double-resonance experiments with DFT and post Hartree-Fock calculations. N-Acetyl-Phe-amide was chosen as a model system for which three different conformers were observed.

Simple model for active nematics: quasi-long-range order and giant fluctuations.

We propose a simple microscopic model for active nematic particles similar in spirit to the Vicsek model for self-propelled polar particles. In two dimensions, we show that this model exhibits a Kosterlitz-Thouless-like transition to quasi-long-range orientational order and that in this nonequilibrium context, the ordered phase is characterized by giant density fluctuations, in agreement with the predictions of Ramaswamy et al.

Probing the competition between secondary structures and local preferences in gas phase isolated peptide backbones.

Combining laser desorption with a supersonic expansion together with the selectivity of IR/UV double resonance spectroscopy makes it possible to isolate and characterise the gas phase of remarkable backbone conformations of short peptide chains mimicking protein segments. A systematic bottom-up approach involving a conformer-specific IR study of peptide sequences of increasing sizes has enabled us to map the spectral signatures of the intramolecular interactions, which shape the peptide backbone, in particular H-bonds. The precise data collected are directly comparable to the most sophisticated quantum chemistry calculations of these species and therefore constitute a stringent test for the theoretical methods used.

Effect of aqueous acetic, oxalic, and carbonic acids on the adsorption of europium(III) onto alpha-alumina.

Chemical retention, i.e., partition of the element between aqueous solution and mineral surface, is a key phenomenon for assessing the safety of possible nuclear waste disposal.

Extreme ultraviolet Fourier-transform spectroscopy with high order harmonics.

We demonstrate a new scheme for extreme ultraviolet (xuv) Fourier-transform spectroscopy based on the generation of two phase-locked high-harmonic beams. It allows us to measure for the first time interferograms at wavelengths as short as 90 nm, and open the perspective of performing high-resolution Fourier-transform absorption spectroscopy in the xuv. Our measurements also demonstrate that a precise control of the relative phase of harmonic pulses can be obtained with an accuracy on an attosecond time scale, of importance for future xuv pump-xuv probe attosecond spectroscopy.

Crystal structure of the complex between the monomeric form of Toxoplasma gondii surface antigen 1 (SAG1) and a monoclonal antibody that mimics the human immune response.

Toxoplasma gondii, the intracellular parasite responsible for toxoplasmosis infects more than one-third of the world population and can be life-threatening for fetuses and immunocompromised patients. The surface protein SAG1 is an important immune target, which provides a strong immune response against the invasive tachyzoite while the other forms of the parasite, devoid of SAG1 at their surface, are multiplying. In addition to this role as a "hot spot" decoy, SAG1 is predicted to act as an adhesin during host-cell attachment through its binding to proteoglycans.

Gas-phase models of gamma turns: effect of side-chain/backbone interactions investigated by IR/UV spectroscopy and quantum chemistry.

The conformations of laser-desorbed jet-cooled short peptide chains Ac-Phe-Xxx-NH2 (Xxx=Gly, Ala, Val, and Pro) have been investigated by IR/UV double resonance spectroscopy and density-functional-theory (DFT) quantum chemistry calculations. Singly gamma-folded backbone conformations (betaL-gamma) are systematically observed as the most stable conformers, showing that in these two-residue peptide chains, the local conformational preference of each residue is retained (betaL for Phe and gamma turn for Xxx). Besides, beta turns are also spontaneously formed but appear as minor conformers.

Gas phase formation of a 3(10)-helix in a three-residue peptide chain: role of side chain-backbone interactions as evidenced by IR-UV double resonance experiments.

The first spectroscopic evidence for the gas-phase formation of helical structures in short peptide chains is reported, using the IR-UV double resonance technique and DFT quantum chemistry calculations. The study involves three chemically protected peptides, all based on the same Ac-(Ala)3-NH2, (Ac = acetyl, Ala = alanine) tripeptide, in which one of the Ala residues is substituted by the aromatic phenylalanine residue. For the three molecules, only one main conformer is observed in the supersonic expansion.

Fine tuning of the specificity of an anti-progesterone antibody by first and second sphere residue engineering.

The specificity of anti-progesterone P15G12C12G11 antibody was improved by combination of in vitro scanning saturation mutagenesis and error-prone PCR. The most evolved mutant is able to discriminate against 5beta- or 5alpha-dihydroprogesterone, 23 and 15 times better than the starting antibody, while maintaining the affinity for progesterone that remains in the picomolar range. The high level of homology with anti-progesterone monoclonal antibody DB3 allowed the construction of three-dimensional models of P15G12C12G11 based on the structures of DB3 in complex with various steroids.

Secondary structures of short peptide chains in the gas phase: double resonance spectroscopy of protected dipeptides.

The conformational structure of short peptide chains in the gas phase is studied by laser spectroscopy of a series of protected dipeptides, Ac-Xxx-Phe-NH(2), Xxx=Gly, Ala, and Val. The combination of laser desorption with supersonic expansion enables us to vaporize the peptide molecules and cool them internally; IR/UV double resonance spectroscopy in comparison to density functional theory calculations on Ac-Gly-Phe-NH(2) permits us to identify and characterize the conformers populated in the supersonic expansion. Two main conformations, corresponding to secondary structures of proteins, are found to compete in the present experiments.

Spectroscopic evidence for gas-phase formation of successive beta-turns in a three-residue peptide chain.

We report the first gas-phase spectroscopic study of a three-residue model of a peptide chain, Ac-Phe-Gly-Gly-NH2 (Ac = acetyl), using the IR/UV double resonance technique. The existence of at least five different conformers under supersonic expansion conditions is established, most of them exhibiting rather strong intramolecular H-bonds. One of the most populated conformers, however, exhibits a different H-bonding network characterized by two weak H-bonds.