Diffraction and spectroscopic methods were evaluated for quantitative analysis of binary powder mixtures of FII(6.403) and FIII(6.525) piracetam. The two polymorphs of piracetam could be distinguished using powder X-ray diffraction (PXRD), Raman and near-infrared (NIR) spectroscopy. The results demonstrated that Raman and NIR spectroscopy are most suitable for quantitative analysis of this poly...

We prepared and characterized a grinding-induced equimolar complex of thiourea with ethenzamide. When thiourea and ethenzamide were co-ground at a molar ratio of 3 : 1, new powder X-ray diffraction (PXRD) peaks were observed in addition to PXRD peaks of thiourea crystals. The optimum stoichiometry of the new structure was confirmed as 1 : 1 mol/mol. Effect of grinding time on the thiourea-ethen...

Crystals in cheese may be considered defects or positive features, depending on the variety and mode of production (industrial, artisanal). Powder x-ray diffractometry (PXRD) offers a simple means to identify and resolve complex combinations of crystals that contribute to cheese characteristics. The objective of the present research was to demonstrate the application of PXRD to study crystals f...

We have calculated powder X-ray diffraction (PXRD) line profiles based on the absorption of X-rays in passing through materials. The results showed that the line profile function depends on the absorption coefficient of the sample. The observed aluminum PXRD patterns are in excellent agreement with the calculated line profile functions derived from absorption. This work also demonstrated that b...

The aim of this study was to characterize the solid state properties of (4E)-2-(1H-pyrazol-3-ylamino)-4-(1H-pyrazol-3-ylimino)naphthalen-1(4H)-one (BiPNQ), a compound with a significant inhibitory activity against Trypanosoma cruzi, the etiological agent of Chagas disease (American trypanosomiasis). Methods used included Differential Scanning Calorimetry (DSC), Thermogravimetry (TG), Fourier Tr...

Figure S1. Rietveld refinement patterns of PCN-888 using synchrotron PXRD data (λ = 0.72768Å): observed (blue), calculated (red), and difference (grey) profiles are shown; the tick marks below the curves indicate Bragg positions. The X-ray diffraction pattern between 1.1° and 4.2° is magnified in the inset. The full pattern shows a precise match between the experimental PXRD data and those simu...

Eight homoleptic metal(III) arylchalcogenolate polymers [M(EPh-p-X)(3)](n) (M = Ru, Cr, and Mo) were characterized by PXRD. Structural solution of [Ru(SPh-p-tBu)(3)](n)1 was achieved by Rietveld refinement of the PXRD data. Pyrolysis of [Ru(SePh)(3)](n)4 produced nanostructured RuSe(2), which selectively catalyzed the reduction of nitro compounds in the presence of other functionalities.

The flexibility and structure transition behaviour of ZIF-8 in a series of samples with different particle size has been studied using a combination of high-resolution N2 gas adsorption isotherms and, for the first time, a broad in situ PXRD and Rietveld analysis. During the stepped adsorption process, large particles showed a narrow adsorption/desorption pressure range with a shorter equilibri...