Search results for " diffraction"
showing 10 items of 896 documents
Polymorphism and versatile solvate formation of thiophanate-methyl
2009
The polymorphism of a fungicide, thiophanate-methyl (TM), was investigated with conventional solvent screening methods. Two polymorphs, the thermodynamically most stable form I and the less stable form II, were found. TM was also found to crystallize as a plethora of different solvates which produced mostly form II upon desolvation. The structures of form I and form II and the fourteen discovered solvates were solved by single crystal X-ray diffraction. The most stable forms were further characterized by powder diffraction, thermoanalytical (TG/DTA, DSC and thermomicroscopy) and spectroscopic (IR, Raman, ¹³C CP/MAS NMR) methods. peerReviewed
A Simple Complex on the Verge of Breakdown: Isolation of the Elusive Cyanoformate Ion
2014
Cyanide Hitches a Ride Cyanide is a by-product of the biosynthesis of ethylene in plants and it has been somewhat puzzling how the ion is safely removed before it can shut down enzymatic pathways by coordination to catalytic iron centers. A proposed mechanism has implicated the cyanoformate ion—essentially, a weak adduct of cyanide and carbon dioxide—as the initial product, although its lifetime was uncertain. Murphy et al. (p. 75 ; see the Perspective by Alabugin and Mohamed ) crystallized this previously elusive adduct and found that its solution-phase stability varies inversely with the dielectric properties of the medium. The results bolster a picture in which the adduct shuttles the cy…
Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.
2013
Understanding the mechanism by which advanced materials assemble is essential for the design of new materials with desired properties. Here, we report a method to form chiral, potentially porous materials through spontaneous resolution of conformers of a PCP pincer palladium complex ({2,6-bis[(di-t-butylphosphino)methyl]phenyl}palladium(II)halide). The crystallisation is controlled by weak hydrogen bonding giving rise to chiral qtz-nets and channel structures, as shown by 16 such crystal structures for X = Cl and Br with various solvents like pentane and bromobutane. The fourth ligand (in addition to the pincer ligand) on palladium plays a crucial role; the chloride and the bromide primaril…
Topical anti-inflammatory potential of quercetin in lipid-based nanosystems: In vivo and in vitro evaluation
2013
Purpose: To develop quercetin-loaded phospholipid vesicles, namely liposomes and PEVs (Penetration Enhancer-containing Vesicles), and to investigate their efficacy on TPA-induced skin inflammation. Methods: Vesicles were made from a mixture of phospholipids, quercetin and polyethylene glycol 400 (PEG), specifically added to increase drug solubility and penetration through the skin. Vesicle morphology and self-assembly were probed by Cryo-Transmission Electron Microscopy and Small/Wide Angle X-ray Scattering, as well as the main physico-chemical features by Light Scattering. The anti-inflammatory efficacy of quercetin nanovesicles was assessed in vivo on TPA-treated mice dorsal skin by the d…
Crystal growth and characterization of Zn1-xMgxO advanced micro- and nanostructures
2018
Dentro de la creciente área de investigación de la física de semiconductores, los pertenecientes a la familia II-VI se han convertido en un campo fundamental de la física de materiales debido a que sus propiedades fotofísicas son únicas para crear una nueva generación de dispositivos en el campo de la fotónica y la microelectrónica. Entre ellos, los semiconductores basados en ZnO han ganado un considerable interés en la comunidad científica en parte debido a su alta energía de enlace del excitón (60 meV) la cual es 2.4 veces más alta que la energía térmica a temperatura ambiente. Este hecho puede dar lugar a emisión laser excitónica a temperaturas incluso mayores que la ambiente. Además, gr…
Comparison of mechanical properties and composition of magnetron sputter and plasma enhanced atomic layer deposition aluminum nitride films
2018
A comparative study of mechanical properties and elemental and structural composition was made for aluminum nitride thin films deposited with reactive magnetron sputtering and plasma enhanced atomic layer deposition (PEALD). The sputtered films were deposited on Si (100), Mo (110), and Al (111) oriented substrates to study the effect of substrate texture on film properties. For the PEALD trimethylaluminum–ammonia films, the effects of process parameters, such as temperature, bias voltage, and plasma gas (ammonia versus N2/H2), on the AlN properties were studied. All the AlN films had a nominal thickness of 100 nm. Time-of-flight elastic recoil detection analysis showed the sputtered films t…
Fracture Shape and Orientation Contributions to P-Wave Velocity and Anisotropy of Alpine Fault Mylonites
2021
P-wave anisotropy is significant in the mylonitic Alpine Fault shear zone. Mineral- and texture-induced anisotropy are dominant in these rocks but further complicated by the presence of fractures. Electron back-scattered diffraction and synchrotron X-ray microtomography (micro-CT) data are acquired on exhumed schist, protomylonite, mylonite and ultramylonite samples to quantify mineral phases, crystal preferred orientations, microfractures and porosity. The samples are composed of quartz, plagioclase, mica and accessory garnet, and contain 3-5% porosity. Based on the micro-CT data, the representative pore shape has an aspect ratio of 5:2:1. Two numerical models are compared to calculate the…
Structural insights into M2O-Al2O3-WO3 (M = Na, K) system by electron diffraction tomography.
2015
TheM2O–Al2O3–WO3(M= alkaline metals) system has attracted the attention of the scientific community because some of its members showed potential applications as single crystalline media for tunable solid-state lasers. These materials behave as promising laser host materials due to their high and continuous transparency in the wide range of the near-IR region. A systematic investigation of these phases is nonetheless hampered because it is impossible to produce large crystals and only in a few cases a pure synthetic product can be achieved. Despite substantial advances in X-ray powder diffraction methods, structure investigation on nanoscale is still challenging, especially when the sample i…
Data for: Microstructural analysis (Voigt function method) of mullite in whiteware triaxial porcelains.
2020
X-Ray powder diffraction profile data , for the studied samples THIS DATASET IS ARCHIVED AT DANS/EASY, BUT NOT ACCESSIBLE HERE. TO VIEW A LIST OF FILES AND ACCESS THE FILES IN THIS DATASET CLICK ON THE DOI-LINK ABOVE
Structure of calcium and zinc pectinate films investigated by FTIR spectroscopy
2010
International audience; Calcium and zinc pectinate gels were prepared using a method which allowed calcium or zinc to diffuse from the cross-linking solution through a dialysis membrane to form a gel with amidated low-methoxyl pectin. The gel thus obtained was then dried, and the film structure was studied using FTIR spectroscopy as a function of the cation content (0%, 5%, 10%, and 15% w/v). Important consideration was given to the three functional groups (amide, carboxyl ester, and carboxylate groups) present in the pectin. When the zinc content was increased, the three wavenumber values corresponding to these three functional groups did not change significantly, while for calcium pectina…