The embedding method beyond the single-channel case

We investigate the relationship between persistent currents in multi-channel rings containing an embedded scatterer and the conductance through the same scatterer attached to leads. The case of two uncoupled channels corresponds to a Hubbard chain, for which the one-dimensional embedding method is readily generalized. Various tests are carried out to validate this new procedure, and the conductance of short one-dimensional Hubbard chains attached to perfect leads is computed for different system sizes and interaction strengths. In the case of two coupled channels the conductance can be obtained from a statistical analysis of the persistent current or by reducing the multi-channel scattering problem to several single-channel setups.     

Double-diffusive parallel flow induced in a horizontal Brinkman porous layer subjected to constant heat and mass fluxes: analytical and numerical studies

Fluid flow and heat and mass transfer induced by double-diffusive natural convection in a horizontal porous layer subjected to vertical gradients of temperature and concentration are studied analytically and numerically using the Brinkman-extended Darcy model. Both cases of rigid and free horizontal boundaries are examined in the present study. The parameters governing the problem are the Rayleigh number R_T, the Lewis number Le, the buoyancy ratio N, the Darcy number Da and the aspect ratio Ar. The analytical solution is based on the parallel flow approximation. The critical Rayleigh number corresponding to the onset of the parallel flow in this system is determined analytically as a function of Le, N and Da. For sufficiently small Da, both free and rigid boundaries yield results which are identical to those predicted by the Darcy model. The present investigation shows that there exists a region in the plane (N, Le) where the convective flow is not possible in the layer regardless of the Rayleigh and Darcy numbers considered. Received on 21 December 1998     

Glyphosate–Exonuclease Interactions: Reduced Enzymatic Activity as a Route to Glyphosate Biosensing

N-phosphonomethyle-glycine (glyphosate) is the most widely used pesticide worldwide due to its effectiveness in killing weeds at a moderate cost, bringing significant economic benefits. However, owing to its massive use, glyphosate and its residues contaminate surface waters. On site, fast monitoring of contamination is therefore urgently needed to alert local authorities and raise population awareness. Here the hindrance of the activity of two enzymes, the exonuclease I (Exo I) and the T5 exonuclease (T5 Exo) by glyphosate, is reported. These two enzymes digest oligonucleotides into shorter sequences, down to single nucleotides. The presence of glyphosate in the reaction medium hampers the activity of both enzymes, slowing down enzymatic digestion. It is shown by fluorescence spectroscopy that the inhibition of ExoI enzymatic activity is specific to glyphosate, paving the way for the development of a biosensor to detect this pollutant in drinking water at suitable detection limits, i.e., 0.6 nm .     

Structure formation in systems involving poly(ethylene oxide) and small molecules

The structure of the intercalates in which poly(ethylene oxide), PEO, is the host component and para-disubstituted benzenes are the guest molecules is completely elucidated by X-ray diffractometry, polarized FTIR spectrography, and calorimetry. It is shown that the association of these molecules results from the adaptation of the shape of their external surfaces. On this basis the possibility of formation of structure involving PEO and small molecules is discussed.     

An investigation of hemibenzopinacolate radicals used in the synthesis of block-copolymers: ESR measurements and semiempirical calculations

Hemibenzopinacolate radicals may be incorporated in a polymer chain and the latter used as a macromolecular initiator. Kinetics of polymerization are strongly dependent on the substitution of the pinacolate. A large family of substituted (CH₃)₃SiOC(C₆H₅)₂ radicals has been synthesized and studied by electron spin resonance (ESR) and semiempirical molecular orbital calculations. ESR spectra are well resolved and, except for one derivative, allow an unambiguous determination of the hyperfine coupling splitting (HFS) constants. The ground state properties have been calculated within different approximations, namely MNDO, AM1 and PM3 for the geometry optimization and INDO for spin density. Geometries obtained within AM1 and PM3 approximations are satisfactory. The HFS constants evaluated using McConnell type relations and spin densities are in a quite good agreement with the experimental ones. It turns out that the effect of substitution on kinetics of polymerization cannot be attributed to any drastic change in the charge distribution.