Two Stage Solid Phase Extraction with Subsequent HPLC Isolation for Structure Elucidation of Major Metabolites of (+)-(R)-2-{3-(benzo[1,4]dioxan-2-yl-methylamino)-1-propyl}-3(2H)-pyridazinone (GYKI-16084)

GYKI-16084 – (+)-(R)-2-{3-(benzo[1,4]dioxan-2-yl-methylamino)-1-propyl}-3(2H)-pyridazinone hydrochloride – is a new drug candidate for the treatment of benign prostatic hyperplasia. In our study the major metabolites formed in the rat and dog were isolated from dog and rat urine, then their structures were elucidated by means of MS and NMR. A two stage solid phase extraction (SPE) procedure and a semi-preparative HPLC method were developed utilizing various mechanisms of separation. The major metabolites proved to be isomeric glucuronides of the benzodioxane moiety hydroxylated at positions 6 or 7 and {2-(2-carboxyethyl)-3(2H)-pyridazinone}.     

Features of light attenuation in crystals under violation of the Bouguer law

A computer simulation and measurements of the light transmittance of germanium and paratellurite crystals of different thickness were used to show that, at scattering probabilities of photons comparable to their absorption probabilities, the standard methods for calculating light extinction coefficients on the basis of the Bouguer law lead to rough errors in estimation of the optical quality of a material.     

On automation of the procedure for crystal structure model refinement

The methods of automation of the procedure for crystal structure model refinement from experimental diffraction data, implemented in the ASTRA program package, are described. Such tools as statistical tests, parameter scanning, and data scanning reduce the time necessary for structural investigation. At strong correlations between parameters, especially when the data set is limited, parameter scanning has an advantage over the full-matrix refinement.     

Modeling of the defect structure in dislocation-free silicon single crystals

A mathematical model of the formation of primary grown-in microdefects on the basis of dissociation diffusion is presented. Cases of “vacancy-oxygen” (V + O) and “carbon-interstitial” (C + I) interaction near the crystallization front are considered for dislocation-free Si single crystals grown by the floating-zone and Czochralski methods. The approximate analytical expressions obtained by setting 1D and 2D temperature fields in a crystal are in good agreement with the heterogeneous mechanism of formation of grown-in microdefects.     

Powerful pulsed neutron sources for research with a pulsed magnetic field

The prospects for neutron investigations into the magnetic properties of condensed matter with the use of powerful pulsed neutron sources [Japan Spallation Neutron Source (JSNS) (Tokai, Japan), TIRAN (Zababakhin All-Russia Research Institute of Technical Physics, Russian Federal Nuclear Center, Snezhinsk, Russia), Large Hadron Collider (LHC) (CERN)] and pulsed magnetic fields are considered. It is demonstrated that the diffraction measurements of the magnetic states induced by a magnetic field of up to 700–1000 kOe can be performed at the TIRAN reactor and the neutron source that can be developed on the basis of the LHC accelerator.     

Similar quartz crystallographic textures in rocks of continental earth’s crust (by neutron diffraction data): II. Quartz textures in monophase rocks

The types of quartz textures found in a large collection of multiphase rocks from different regions of the earth are analyzed. Crystallographic textures of granulite, amphibolite, slate, and gneiss samples are measured, classified, and compared with the similar textures of monomineral rocks.     

Chlorination and oxidation products formed from 1,2,4-trimethylbenzene in aqueous solution under the action of chlorine dioxide

Products of the reaction of 1,2,4-trimethylbenzene with chlorine dioxide in aqueous solution were studied. A scheme of 1,2,4-trimethylbenzene transformations was suggested. The influence exerted on the number of the reaction products by the ClO₂ dosage and time of its contact with the substrate was examined.