A potential fortuitous binding of inhibitors of an inverting family GH9 β-glycosidase derived from isofagomine

Using structural insight, the binding mode of isofagomine-derived inhibitors with family GH9 glycosidases is achieved via the study of Alicyclobacillus acidocaldarius (AaCel9A) endoglucanase. In contrast to what was observed in the first report using these compounds with inverting glycosidases from family GH6, these inhibitors do not adopt a distorted conformation in the active site.     

Experimental evidence of the spin lattice character of surface relaxation in CESR

By measuring spin lattice relaxation time independently of any linewidth determination, we show the spin lattice character of surface relaxation in CESR. The method is based on amplitude modulation of the microwave field and detection of the longitudinal magnetization.     

Conduction electron spin resonance in lithium-3d metal double layers

We show that for bimetallic layers prepared in 10^-6 torr vacuum systems, the ESR broadenings do not allow the determination of an eventual intrinsic spin-flip probability at the interface. In effect, for such samples the linewidth is essentially governed by the transmission coefficient through the very thin insulating barrier that takes place between the two metals.     

Temperature dependence of the electron emission of amorphous silica under intense laser irradiation

The temperature dependence of the photoemission of amorphous silica submitted to intense laser irradiation is studied. Results obtained below and above the annealing temperature of point defectsdiffer strongly. The electron energy spectra show evidence of the important role played by point defects in the emission process and probably in laser breakdown phenomena as well.     

Etude vibrationnelle des oxydes PbO α et PbO β: Interpretation en relation avec la dilatation thermique

A normal coordinate analysis of the Raman and ir vibrational spectra of PbO α and PbO β allowed us to calculate the force field for both phases. The cohesion between the structural layers is realized by means of attractive interactions involving the lone pair of the Pb^II atoms. The analysis of the potential energy distribution shows that these interactions are much weaker than the PbO bonds in the layers. The calculated force constants for these bonds vary inversely as a function of their distance and allow one to explain the value of the thermal expansion coefficients in the layers. On the other hand, the abnormally small value of the thermal expansion along the normal direction to the layers, particularly for PbO β, may be explained only in assuming the existence of a negative contribution due to a modification of the relative orientation of the dipoles (Pb^II-lone pair) situated on two adjacent layers.     

Analysis of the ν9 band complex of dicyanoacetylene and application of a theory of relative intensities to all subbands

The band complex near 107 cm⁻¹ consisting of the fundamental ν₉ of dicyanoacetylene (NC-CC-CN) and its associated hot bands has been analysed from the high resolution infrared spectrum. It turned out that two sets of bands from levels (v₉=0-8) and (v₇=1; v₉=0-5) were observable. Including cases where separate e- and f-transitions have been observed, the total number of identified series exceeds 90. The calculations were made with a global rovibrational analysis program adapted for linear sixatomic molecules. We have developed general procedures for calculation of the relative intensities of all allowed transitions between two vibrational polyads in the electronic ground state of a linear molecule, taking into account the wavefunction mixing due to essential or accidental resonances. This supports the assignment procedure in the present case and allows us to understand the dramatic effects on the intensities of different subbands. A good agreement between calculated and observed intensities is obtained with one single intensity parameter for the whole set of subbands.