Accounting for the uncertainties in the estimation of average shear wave velocity using V S– N correlations

Site-specific seismic hazard analysis is crucial for designing earthquake resistance structures, particularly in seismically active regions. Shear wave velocity ( V _S) is a key parameter in such analysis, although the economy and other factors restrict its direct field measurement in many cases. Various V _S–SPT– N correlations are routinely incorporated in seismic hazard analysis to estimate the value of V _S. However, many uncertainties question the reliability of these estimated V _S values. This paper comes up with a statistical approach to take care of such uncertainties involved in V _S calculations. The measured SPT– N values from all the critical boreholes were converted into statistical parameters and passed through various correlations to estimate V _S at different depths. The effect of different soil layers in the boreholes on the Vs estimation was also taken into account. Further, the average shear wave velocity of the top 30 m soil cover ( V _S30) is estimated after accounting for various epistemic and aleatoric uncertainties. The scattering nature of the V _S values estimated using different V _S– N correlations was reduced significantly with the application of the methodology. Study results further clearly demonstrated the potential of the approach to eliminate various uncertainties involved in the estimation of V _S30 using general and soil-specific correlations.     

Excellent destabilization effect and ideal desorption temperature in the hydride Mg2FeH6 substituted with yttrium; a first principles study

We investigated some properties of the hydride Mg₂FeH₆ substituted with yttrium by a first principles calculation. Some experimental results showed that 4d transition metal, yttrium serves as a good catalyst for magnesium based hydrogen storage alloys, but there are a few theoretical studies about magnesium based hydrides substituted with it. Mg₂FeH₆ is regarded as a cheaper material than pure MgH₂, while it is crystalized into Fm3m structure (space group 225). Although it has high hydrogen storage capacity, many investigations have not been devoted to it due to its extremely high thermodynamic stability. The yttrium substituted Mg₂FeH₆ exhibits very low energy of formation, and its desorption temperature, 75 °C is very suitable for practical hydrogen storage applications. Our results showed that Mg₂FeH₆ is destabilized effectively by yttrium substitution and introducing vacancy defects has additive effect to the improvement of dehydrogenation performance.     

Characterization of a Tryptophan 6-Halogenase from Streptomyces albus and Its Regioselectivity Determinants

Tryptophan halogenases are found in diverse organisms and catalyze regiospecific halogenation. They play an important role in the biosynthesis of halogenated indole alkaloids, which are biologically active and of therapeutic importance. Here, a tryptophan 6-halogenase (SatH) from Streptomyces albus was characterized by using a whole-cell reaction system in Escherichia coli. SatH showed substrate specificity for chloride and bromide ions, leading to regiospecific halogenation at the C6-position of l -tryptophan. In addition, SatH exhibited higher performance in bromination than that of previously reported tryptophan halogenases in the whole-cell reaction system. Through structure-based protein mutagenesis, it has been revealed that two consecutive residues, A78/V79 in SatH and G77/I78 in PyrH, are key determinants in the regioselectivity difference between tryptophan 6- and 5-halogenases. Substituting the AV with GI residues switched the regioselectivity of SatH by moving the orientation of tryptophan. These data contribute to an understanding of the key residues that determine the regioselectivity of tryptophan halogenases.     

Synthesis and physicochemical characteristics of polymolybdenum(VI) phenylsiloxanes by means of different methods

Interaction of molybdenyl(VI) bis(acetylacetonate) with polyphenylsiloxane in xylene and under mechanochemical activation conditions has been investigated. The interaction in solution proceeds with splitting of the siloxane bond and formation of polymolybdenum(VI) phenylsiloxane with different silicon/metal ratios. The fractions with the silicon/metal ratio < 2 are characterized with high degree of crystallinity and low solubility, whereas those with the ratio > 2 are amorphous. The interaction of the above reagents under mechanical activation conditions proceeds with the formation of soluble polymers similar to those obtained in a solution with the silicon/molybdenum ratio equal to 2.6. The crystal chemistry parameters of the fraction obtained in solution with the ratio Si/Mo equals to 1:2 have been calculated on the basis of the X-ray diffraction analysis data using the Debye–Shearer equation. It has been demonstrated that the chain cross section found using the Miller–Boyer method coincides with that calculated geometrically on the basis of literature data on bond lengths and angles. It is shown that the interaction of molybdenyl(VI) bis(acetylacetonate) with polyphenylsiloxane takes place in solution more deeply than under the conditions of mechanochemical activation and is accompanied by the process of separation siloxanes connection. This leads to the formation of a fraction with smaller ratio of substances than the initial ratio.     

Experimental verification of discrete models for combustion of microheterogeneous compositions forming condensed combustion products (Review)

Combustion, Explosion, and Shock Waves - This paper presents an analytical review of modern quasihomogeneous and discrete models of gasless combustion. Particular attention is given to experiments...