Thermalization of the flow of sputtered target atoms during ion-plasma deposition of films

The boundary of the zone in which sputtered atoms are thermalized in the substrate–target drift space during the ion-plasma magnetron deposition of films is determined theoretically and experimentally. A comparison of the thicknesses of films deposited on the front and back sides of substrates situated at different distances from the target makes it possible to divide the flow of atoms sputtered toward substrates into direct and diffusion flows and to determine the dimensions of the spatial zone in which sputtered atoms are thermalized. The experimental data are in quantitative agreement with the results of a statistical simulation of the thermalization process of atomic particles during the ion-plasma deposition. This simulation enables optimization of the technology of defect-free growth of films with uniform thickness on substrates with complex 3D configuration.     

The molecular basis of the adsorption of xylans on cellulose surface

In order to model the adsorption of xylan on cellulose, we have simulated, at the atomic level, the gas phase adsorption of small xylan fragments having 5 skeletal β (1 → 4) xylosyl residues (X₅), using molecular dynamics simulations. A first regime was considered, corresponding to a low surface coverage, with the adsorption of isolated X₅ in various initial orientations. In this regime, the simulation indicated that X₅ moved toward extended conformations, some of them being helical, with the possibility of either 2₁ or left-handed 3₁ helices. During the simulation, the X₅ fragments became preferentially oriented, parallel or anti parallel with respect to the cellulose chain axis. Substitution of the X₅ backbone by either GlcA and/or Araf side chains had no major influence on either the conformation or the efficiency of the interaction. However, the presence of side chains favored orientations of the X₅ backbone inclined with respect to the cellulose chain axis. In a second regime corresponding to monolayer coverage, the geometrical features of the adsorption of the xylan fragments on cellulose was roughly the same as that in the individual coverage situation. In this case, the monolayer became equilibrated at 0.14 g of xylan fragments for each g of cellulose, a figure that compared favourably with the values obtained in experimental adsorption of xylan on bacterial cellulose.     

Kinetic Study of Propylene Hydrogenation over Pt/Al2O3 by Parahydrogen-Induced Polarization

Parahydrogen-induced polarization has been successfully used for a kinetic study of propylene hydrogenation over a Pt/Al₂O₃ catalyst. It was shown that the reaction orders with respect to hydrogen are different for the pairwise and the non-pairwise hydrogen addition and are equal to 0.7 and 0.1, respectively. This observation of different reaction orders confirms the coexistence of different types of active sites which are responsible for the overall and the pairwise hydrogen addition to the propylene C=C double bond. Moreover, 0.7 reaction order with respect to H₂ for pairwise hydrogen addition indicates that the contribution of pairwise addition depends on the concentration of molecular hydrogen. Therefore, this observation can be developed into a practical tool for producing fluids with highly polarized nuclear spins by changing the hydrogen concentration.     

A new synthesis of 4′-trifluoromethyl-2,2′:6′,2″-terpyridine

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A Study of New Resonances in a Molecule Scenario

The new resonances X(3872) and Λ _c (2940) are considered as weakly bound states of other hadrons in a molecule scenario using phenomenological Lagrangians.     

Fluorinated 1,3-benzothiazin-4-ones containing fluoroquinolone fragment

Chemistry of Heterocyclic Compounds - We have developed an efficient synthetic approach to potential antibacterial agents with double mechanism of action through the combination of antibacterial...