Crystallization of amorphous zirconium thin film using ion implantation by a plasma focus of 1 kJ

In this work preliminary results of amorphous zirconium crystallization using ion beam pulses are presented. Energetic argon- and oxygen-ion beams generated by a plasma focus device were used to promote crystallization on amorphous ZrO₂-2.5 mol% Y₂O₃ film deposited by chemical solution deposition onto silica glass substrate. The films were burnt at 370 °C for 1 h in normal atmosphere previous to plasma irradiation. The irradiation was performed by means of successive pulses of ion beams. The evolution of the surface morphology and crystallization was followed by AFM and X-rays diffraction in a grazing incidence asymmetric Bragg geometry (GIAB), respectively. Argon-irradiated films showed highly nucleated cubic zirconia after 10 pulses. On the other hand, oxygen-irradiated films showed a delayed and less extensive cubic nucleation, but a more ordered structure and well-defined grains.     

Mössbauer and infrared spectroscopic studies of novel mixed valence states in cobaltous ferrocyanides and ferricyanides

Novel mixed valence states have been obtained by the treatment of cobaltous ferrocyanides (Co⁺²Fe^II) and ferricyanides (Co⁺²Fe^III) in an ozone flow. The CN stretching bands occur at 2085 cm^–1 for Co⁺²Fe^II and at 2160 cm^–1 for Co⁺²Fe^III. After the ozonization process of Co⁺²Fe^II, an intense band approximately at 2125 cm^–1 is detected. This intermediate band must correspond to a mixed valence state of the type: Fe^II–CN–Co²⁺–NC–Fe^III Mössbauer spectra recorded in situ during the ozonization of Co⁺²Fe^II show the presence of two components: a doublet with isomer shift and quadrupole splitting values close to the cobalti ferricyanide and a very broad line for the mixed valence state. From the Mössbauer and infrared spectra of the aged samples of the Co⁺²Fe^II after ozonization, a relaxation process to the initial state of the samples is observed but the mixed valence state is stable.     

Antihydrophobic solvent effects: an experimental probe for the hydrophobic contribution to enzyme-inhibitor binding

The hydrophobic component to the binding affinities of one acyclic phosphinate (4) and three macrocyclic phosphonamidate inhibitors (1-3) to the zinc peptidase thermolysin was probed by varying the solvent composition. Increasing the percentage of ethanol in the buffer solution over the range 0-9% increases the inhibition constants, K(i), by up to an order of magnitude. This approach represents an experimental method for distinguishing solvation from conformational or other effects on protein-ligand binding. The size of the "antihydrophobic effect" is correlated with the amount of hydrophobic surface area sequestered from solvent on association of the inhibitor and enzyme, although it is attenuated from that calculated from the surface tension of ethanol-water mixtures. The results are consistent with the Lum-Chandler-Weeks explanation for the size dependence of the hydrophobic effect.     

A minimal multiconfigurational technique

A direct minimization method previously presented by the authors is applied here to biconfigurational wave functions. A very moderate increasing in the time by iteration with respect to the one-determinant calculation and good convergence properties have been found. So qualitatively correct studies on singlet systems with strong biradical character can be performed with a cost similar to that required by Hartree-Fock calculations.     

Study of the microstructure of tetrahydrofuran-3,3 dimethyloxetane copolymers by 13C-NMR spectroscopy.

The microstructure of tetrahydrofuran (A)-3,3 dimethyloxetane (B) copolymers was studied by ¹³C-{¹H}-NMR spectroscopy. Only the methyl carbons corresponding to the 3,3 dimethyloxetane unit appear as a singlet, whereas the other carbons present a more complicated spectral pattern than it would be expected if ? effects were negligible. The assignment of the resonance signals allowed the determination of the values of the probabilities of the different triads, which were in good agreement with those obtained from the reactivity ratios.     

Two-proton multiplets in theN=82 nucleus 62 144 Sm82 from in-beamγ-measurements

In a high sensitivity (,2n) in-beam study of ₆₂ ¹⁴⁴ Sm₈₂, with the Kölner Würfel OSIRIS -detector array including a Compton polarimeter, we have identified the complete two-proton multiplets d ₅ ^2/–2 , d ₅ ^2/–1 g ₇ ^2/–1 , g ₇ ^2/–2 , h_11/2d ₅ ^2/–1 and the 9^– to 4^– members of the h_11·/2g ₇ ^2/–1 multiplet.Work partially supported by CICYT (Spain).