X-ray powder diffraction is a vital analytical tool that is used in pharmaceutical science. It is increasingly used to establish the crystal structure of a new pharmaceutical substance, in particular, cocrystal or its polymorphic forms. This review b...
Manmade detention ponds have historically been impacted by anthropogenic activities such as rainwater runoff, car emissions, and drainage from infrastructures, which can lead to complications for pond ecosystems. Sediment samples collected from the n...
Clay minerals and sheet silicates are the main constituents of lutites and clays. These materials are relevant in earth science research as well as in economic geology because of the great variety of applications, based on their particular features a...
In this study, natural tinaksite (K2Ca2NaTi[Si7O18OH]O) and tokkoite (K2Ca4[Si7O18OH](OH,F)) collected in charoite rocks of the Murun alkaline massif (Siberia, Russia) were examined by X-ray diffraction and optical and vibrational spectroscopic metho...
Have you ever looked at a powder diffractogram during a routine qualitative test and wondered how much of a particular powder compound is in the powder material? Several methods can work this out, but none of them could be used in our case because so...
High energy 2D X-ray powder diffraction experiments are widely used for lattice strain measurement. The 2D to 1D conversion of diffraction patterns is a necessary step used to prepare the data for full pattern refinement, but is inefficient when only...
In this paper, we report the possibility of using the X-ray powder diffraction (XRPD) technique to detect gamma-hydroxybutyric acid (GHB) in the form of its sodium salt in different beverages, but because it is not possible to freely buy GHB, beta-hy...
X-ray powder diffraction (XRPD) occupies a central place in the structural characterization toolbox of materials engineering, providing phase identification, lattice-parameter determination, and microstructural information within a single analytical...
Sodium sebacate salts have several industrial applications as additives, lubricants, and a metal self-healing promoter in general industry, and some derivatives also have wide applications in cosmetics and pharmaceutical fields. Calcium sebacate form...
Plaster is primarily used as a building material obtained by the calcination of gypsum. Its rapid setting time (time for the mixture to solidify) and the low quality of labor generate a large amount of nonused material. Due to its solubility in water...
(±)-tiaprofenic acid (TA), marketed as (Surgam®), belongs to the family of NSAIDs, with the peculiarity of a reduced incidence of ulcer induction in rats compared with parent drugs. However, some adverse effects were observed, and better k...
Complex perovskite La2(Al1/2MgTa1/2)O6 (LAMT) crystallizes in a monoclinic unit cell with space group P21/n at room temperature. Its B-site cations are ordered in a rock-salt-type arrangement. Previously, the full occupancy of Mg on the 2c-Wyckoff po...
The crystal structure of a new zonisamide cocrystal, an anticonvulsant drug used to treat the symptoms of epilepsy and Parkinson’s disease, with ϵ-caprolactam is reported herein. The structure has been solved by direct space methodologies...
The production and trade of metals was the foundation of the economic wealth of many regions in the world, which makes the study of ancient metallurgical slags of primary importance. This type of study is relatively new for Bulgaria, where research i...
Thermal degradation of textile materials produces complex residues whose characterization can provide information on both the original material and the conditions experienced during heating. This study investigates the potential of X-ray Powder Diffr...
AFt is one of the major products at the early stage of cement hydration. It is an important product that influences the performance of the fresh and hardened cement pastes such as the setting time. However, there is a lack of detailed investigation o...
Tutton salts have received considerable attention due to their potential applications in thermochemical energy storage (TCHS) systems. This technology requires high-purity materials that exhibit reversible dehydration reactions, significant variation...
ZSM-5 zeolite is the synthetic counterpart to mutinaite. After thermal activation of the as-synthesized form, the symmetry of the ZSM-5 zeolite is lowered to the monoclinic P21/n. ZSM-5 then undergoes a polymorphic displacive phase transition from th...
Tegoprazan is a potassium ion-competitive acid blocker (P-CAB) and a novel inhibitor of gastric acid secretion. The compound exists in two crystalline polymorphs, A and B, whose structures had not previously been reported. In this study, both polymor...
Cement hydration is a very complex set of processes. The evolution of the crystalline phases during hydration can be accurately followed by X-ray powder diffraction data evaluated by the Rietveld method. However, accurate measurements of some microst...
Providing fundamental information on intra/intermolecular interactions and physicochemical properties, the three-dimensional structural characterization of biological macromolecules is of extreme importance towards understanding their mechanism of ac...
A flow-through reaction cell has been developed for studying minerals leaching by in-situ time-resolved powder X-ray diffraction, allowing for a better understanding of the leaching mechanisms and kinetics. The cell has the capability of independent...
The Rietveld method using X-ray powder diffraction data was applied to selected skarn samples for quantitative determination of the present minerals. The specimens include garnet, clinopyroxene–garnet, plagioclase–clinopyroxene–woll...
Multivariate analysis (MA) is becoming a fundamental tool for processing in an efficient way the large amount of data collected in X-ray diffraction experiments. Multi-wedge data collections can increase the data quality in case of tiny protein cryst...
A review. Diffraction methods are a powerful tool to investigate the crystal structure of organic compounds in general and their hydrates in particular. The laboratory standard technique of single crystal X-ray diffraction gives information about the...
Human insulin (HI) is a well-characterized natural hormone which regulates glycose levels into the blood-stream and is widely used for diabetes treatment. Numerous studies have manifested that despite significant efforts devoted to structural charact...
A selective inhibitor of cyclooxygenase-2 (COX-2), Celecoxib (CEB), known for its anti-inflammatory properties, can exhibit polymorphism, with Form III often emerging as an undesired crystalline impurity during the green manufacturing process of the...
The chain polymer [{Cd(μ-X)2py2}1∞] (X = Cl, Br; py = pyridine) undergoes a fully reversible phase transition between a monoclinic low-temperature and an orthorhombic high-temperature phase. The transformation can be directly monitored in single crys...
Structural changes of chloride and bromide complexes, [Ni(Et2en)2(H2O)2]Cl2 (designated as 1a) and [Ni(Et2en)2]Br2 (2a), have been investigated by using simultaneous measurements of powder X-ray diffraction (XRD) and differential scanning calorimetry...
Transmission electron microscopy and neutron or X-ray diffraction are powerful techniques available today for characterization of the structure of various carbon materials at nano and atomic levels. They provide complementary information but each one...
The low water solubility of benzodiazepines seriously affects their bioavailability and, in consequence, their biological activity. Since co-crystallization has been found to be a promising way to modify undesirable properties in active pharmaceutica...
An Rb2CoSi5O12 leucite analogue has been synthesized. An ambient temperature X-ray powder diffraction study shows that this analogue has the Pbca orthorhombic structure of Cs2CdSi5O12. A high temperature X-ray powder diffraction study on this analogu...
In this work, we report the synthesis of a monoclinic hydroxyapatite [Ca10(PO4)6(OH)2] (hereafter called HA) prepared by the sol-gel method assisted by ultrasound radiation at room temperature. The characterization of both the monoclinic and the hexa...
X-ray powder diffraction is an ideal technique for the quantitative analysis of a multiphase sample. The intensities of diffraction lines of a phase in a multiphase sample are proportional to the phase fraction and the quantitative analysis can be ob...
The ordered Ca3TaGa3Si2O14 and disordered La3Ga5SiO14 crystals of the lantangallium silicate family were grown via the Czochralski method. The independent coefficients of thermal expansion of crystals
In this study, in situ synchrotron X-ray experiments with wide-angle X-ray scattering (WAXS) and small-angle X-ray scattering (SAXS) detectors were performed on two pure magnesium materials produced by powder metallurgy. According to SAXS analysis, e...
The structure solution from powder diffraction has undergone an intense evolution during the last 20 years, but is far from being routine. Current challenges of powder crystallography include ab initio crystal structure determination on real samples...
Selective laser melting (SLM) is a technology of layer-by-layer additive manufacturing using a laser. This technology allows one to get complex-shaped, three-dimensional (3D) specimens directly from metal powder. In this technology, various metal pow...
Thermal treatment is important in the solid-state chemistry of metal organic materials (MOMs) because it can create unexpected new structures with unique properties and applications that otherwise in the solution state are very difficult or impossibl...
Since the formation of organic salts can improve the solubility, bioavailability, and stability of active pharmaceutical ingredients, the aim of this work was to prepare an organic salt of chlordiazepoxide with saccharin. To achieve this goal, the sa...
Stainless steels have the advantage of forming a protective surface layer to prevent corrosion. This layer results from phase and structural changes on the steel surface. Stainless steel samples (1.4404, 316L), whose alloying elements include Cr, Ni,...
The complex [Zn2(btca)(H2O)4] was synthesized with 1,2,4,5-benzenetetracarboxylic acid (H4btca) and zinc acetate as materials via a room-temperature solid state reaction. The composition and structure of the complex were characterized by elemental an...
In the present work, ZrO2-based composites were prepared by adding different amounts of antibacterial magnesium oxide and bioactive and biocompatible hydroxyapatite (HAP) to the inert zirconia. The composites were synthesized by the conventional cera...
The thermal behavior of melanterite from the Fornovolasco mine (Tuscany, Italy) has been investigated via differential thermal analysis (DTA), thermogravimetry (TG), in situ high-temperature X-ray powder diffraction (XRPD) and Fourier-transform infra...
Structures of some hydrogenated products and intermediates, prepared by a heterogeneous Pd/C or Ru/C catalyst starting from 4-pyridinecarbonitrile (4PN), in water and in the presence of an acidic additive (HCl or H2SO4), were confirmed in various sal...
In this work, isothermal sections of the Ln2O3–Cr2O3–B2O3 (Ln = Gd–Lu) ternary oxide systems at 900, 1000, and 1100 °C were constructed by determining the phase relations by using a powder X-ray diffraction technique. As a resul...
Nanocrystalline CeO2 exhibits size-dependent lattice distortions linked to defect chemistry and surface effects. However, the relationships between the oxidation state, surface interactions, and nanoparticle structure remain unclear in the existing l...
Powder X-ray diffraction (XRD) and solid-state NMR spectroscopy are complementary techniques for investigating the structural properties of solids, and there are considerable opportunities and advantages to applying these techniques synergistically t...
Single-crystal structures of 1,1′-methylenebis(imidazolidine-2,4-dione) and its sodium and dipotassium salts were determined. Powder X-ray diffraction was also employed to characterize the bulk materials and those phases which did not yield single-cr...
In this study, microstructural evolution and phase transition of nickel-free Fe-18Cr-18Mn (wt. %) austenitic steel powders, induced by mechanical alloying, were investigated. X-ray diffraction, scanning electron microscopy, and microhardness testing...
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