Addition of hydrazine to natural terpene-based isothiocyanates derivatives: density functional theory investigation

The hydrazine addition to isothiocyanoterpenes to produce thiosemicarbazides occurs with excellent yields. The reaction rate to conversion of the camphene-based (NCS1), R-(+)-limonene-based (NCS2), and (−)-α-bisabolol-based (NCS3) isothiocyanoterpene derivatives in the respective thiosemicarbazides was experimentally studied. It was observed that NCS3 reacts two times faster than NCS2 and 3.5 times faster than NCS1. A complete theoretical investigation of the transition states of these reactions was accomplished, showing that the difference in the reaction rates can be explained by the differences in the electrophilic character of the -NCS group and the relative stability of the proposed transition states.     

Thermal and structural characterization of SrTi1-xNdxO3

Sr(Ti,Nd)O₃ was synthesized in order to evaluate the influence of the amount of neodymium on the thermal and structural properties of SrTiO₃. The synthesis was carried out using the polymeric precursor method. A small mass gain was observed for the SrTiO₃ and SrTi_0.98Nd_0.02O₃ samples accompanied by an exothermic peak in the DTA curves. Other steps at higher temperatures are assigned to the combustion of the organic material and carbonate. Elimination of defects by previous calcination of the precursors is responsible by the short and long range ordering of the perovskite. Cubic phase was obtained for undoped and doped SrTiO₃.     

Statistical mechanics based on Renyi entropy

In this work we show that it is possible to obtain a generalized statistical mechanics (thermostatistics) based on Renyi entropy, to be maximized with adequate constraints. The equilibrium probability distribution thus obtained has a very interesting property. Indeed, it reminds us the statistical distribution proposed by Tsallis, known to conveniently describe a variety of phenomena in nonextensive systems. Moreover, some examples are worked out in order to illustrate the main features of the herein introduced formalism.     

Crystallization of glasses in the germanium-tellurium-sulphur system

The glasses of the germanium-tellurium-sulphur ternary system were investigated in order to determine the formation and crystallization processes. Vitreous samples were prepared by quenching. The vitreous transition and crystallization temperatures, together with microhardnesses, were measured throughout the vitreous region. The latter was sub-divided into several zones, and the behaviour of the glasses in each of these zones was analyzed separately.     

M?ssbauer analysis of high-energy mechanical-milled sand fraction of a magnetic soil developing on basalt

A sample of the coarse sand fraction from the soil material of the A-horizon (0?C0.2 m from the soil surface) of a dusky red magnetic Oxisol was submitted to high-energy mechanical milling for different times. This assay aimed mainly at (a) monitoring the individualization of strongly aggregated mineral particles, and (b) measuring the effect of the milling pressure on the mineralogy changes of the material. These data are also intended to experimentally subside any physical model describing the mechanical behavior of the superficial soil layer that is subjected to intensive machine management, in agriculture fields. Powder X-ray data reveal that some mineralogical phases, notably gibbsite, disappear soon after the first few hours milling. The 298 K-transmission Mössbauer spectrum for the non-milled sand sample shows a qualitatively typical pattern for the sand fraction of basalt derived soils, with magnetically ordered sextets, assignable mainly to hematite and maghemite, and an intense central (super)paramagnetic Fe^3?+? doublet. For the milled samples, spectra revealed progressive spectral reduction of the magnetic hyperfine structure, with concomitant increase of relative subspectral areas due to (super)paramagnetic phases, as the milling time increased. This result is consistent with the reduction of measured saturation magnetization, from 4.96(8) J T^???1 kg^???1, for the non-milled sample, to 3.26(7) J T^???1 kg^???1, for the sample milled for 8 hours.     

1H and 13C NMR analysis of 2‐acetamido‐3‐mercapto‐3‐methyl‐N‐aryl‐butanamides and 2‐acetamido‐3‐methyl‐3‐nitrososulfanyl‐N‐aryl‐butanamide derivatives

The complete assignment of the ¹H and ¹³C NMR spectra of various 2‐acetamido‐3‐mercapto‐3‐methyl‐N‐aryl‐butanamides and 2‐acetamide‐3‐methyl‐3‐nitrososulfanyl‐N‐aryl‐butanamides with p‐methoxy, o‐chloro and m‐chloro substituents is reported. Copyright © 2013 John Wiley & Sons, Ltd.     

Erratum to: Some Applications of the Hodge-de Rham Decomposition to Ricci solitons

The aim of this note is to clarify a minor mistake in the article: Some Applications of the Hodge-de Rham Decomposition to Ricci solitons.