Search results for "Diffraction"
showing 10 items of 1584 documents
Quantitative Phase Analysis of Mixtures of Three Components using Rietveld and Rius Standardless Methods. Comparative Results
2000
Eight samples, supplied by the Commission on Powder Diffraction of the International Union of Crystallography, through the Round Robin on quantitative phase analysis, were analized using standardless methods. Samples were mixtures of corundum, zincite and fluorite in different ratios. The Rietveld method, using the DBW 3.2 and FULLPROF software, and the Rius method, using MENGE-PC software, were used. Results obtained agree well with the real composition supplied (a posteriori) by the IUCr.
Rigid versus Flexible Protein Matrix: Light-Harvesting Complex II Exhibits a Temperature-Dependent Phonon Spectral Density
2018
Dynamics-function correlations are usually inferred when molecular mobility and protein function are simultaneously impaired at characteristic temperatures or hydration levels. In this sense, excitation energy transfer in the photosynthetic light-harvesting complex II (LHC II) is an untypical example because it remains fully functional even at cryogenic temperatures relying mainly on interactions of electronic states with protein vibrations. Here, we study the vibrational and conformational protein dynamics of monomeric and trimeric LHC II from spinach using inelastic neutron scattering (INS) in the temperature range of 20-305 K. INS spectra of trimeric LHC II reveal a distinct vibrational …
The Structure of Cholesterol in Lipid Rafts
2014
Rafts, or functional domains, are transient nano- or mesoscopic structures in the plasma membrane and are thought to be essential for many cellular processes such as signal transduction, adhesion, trafficking and lipid/protein sorting. Observations of these membrane heterogeneities have proven challenging, as they are thought to be both small and short-lived. With a combination of coarse-grained molecular dynamics simulations and neutron diffraction using deuterium labeled cholesterol molecules we observe raft-like structures and determine the ordering of the cholesterol molecules in binary cholesterol-containing lipid membranes. From coarse-grained computer simulations, heterogenous membra…
Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley
2016
Vesuvianite containing 5.85 wt% TiO2from an Alpine-cleft-type assemblage outcropped near Alchuri, Shigar Valley, Northern Areas, has been investigated by means of electron microprobe analyses, gas-chromatographic analysis of H2O, X-ray powder diffraction, single-crystal X-ray structure refinement,27Al NMR,57Fe Mössbauer spectroscopy, IR spectroscopy and optical measurements. Tetragonal unit-cell parameters are:a= 15.5326 (2),c= 11.8040 (2) Å, space groupP4/nnc. The structure was refined to finalR1= 0.031,wR2= 0.057 for 11247I> 2σ(I). A general crystal-chemical formula of studied sample can be written as follows (Z= 2):[8–9](Ca17.1Na0.9)[8]Ca1.0[5](Fe2+0.44Fe3+0.34Mg0.22)[6](Al3.59Mg0.41)…
Biogenic synthesis of palladium nanoparticles using Pulicaria glutinosa extract and their catalytic activity towards the Suzuki coupling reaction.
2014
Green synthesis of nanomaterials finds the edge over chemical methods due to its environmental compatibility. Herein, we report a facile and eco-friendly method for the synthesis of palladium (Pd) nanoparticles (NPs) using an aqueous solution of Pulicaria glutinosa, a plant widely found in a large region of Saudi Arabia, as a bioreductant. The as-prepared Pd NPs were characterized using ultraviolet-visible (UV-vis) spectroscopy, powder X-ray diffraction (XRD), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX), and Fourier transform-infrared spectroscopy (FT-IR). The hydroxyl groups of the plant extract (PE) molecules were found mainly responsible for the red…
Impact of acidic/hydrothermal treatment on pore structural and chromatographic properties of porous silicas
1991
Abstract A series of commercial silicas and a laboratory made product were subjected to acidic/hydrothermal treatment with solutions of HCI, HNO3, H2SO4 and HF. The concentration of acid and the temperature and duration of treatment were varied. The specific surface area, content of metal impurities, types and concentration of surface hydroxyl and siloxane groups and crystallinity were determined for native and treated silicas. Only changes in the structural order of the surface could be assessed by means of 19Si cross-polarization magic angle spinning NMR spectrometry and electron diffraction. The native and acid-treated silicas were surface modified to n-octyl derivatives and tested under…
Premature aging in bone of fish from a highly polluted marine area
2015
Fish species have attracted considerable interest in studies assessing biological responses to environmental contaminants. In this study, the attention has been focussed on fishbone of selected fish species from a highly polluted marine area, Augusta Bay (Italy, Central Mediterranean) to evaluate if toxicant elements had an effect on the mineralogical structure of bones, although macroscopic deformations were not evident. In particular, an attempt was made to evaluate if bone mineral features, such as crystallinity, mineral maturity and carbonate/phosphate mineral content, determined by XR-Diffraction and FT-IR Spectroscopy, suffered negative effects due to trace element levels in fishbone,…
Effect of annealing temperature on persistent luminescence of Y3Al2Ga3O12:Cr3+ co-doped with Ce3+ and Pr3+
2021
Abstract Y3(Al,Ga)5O12 (YAGG) materials doped with Ce3+, Cr3+ and Pr3+ were synthesized by using a modified Pechini method and subsequently annealed in air at selected temperatures between 900 and 1500 °C. According to X-ray powder diffraction (XRPD) and transmission electron microscopy (TEM) analyses, the particles and size distributions become large and broad, respectively, due to sintering and agglomeration at high annealing temperatures. Based on infrared (FTIR) spectra and calculation of multi-phonon de-excitation probabilities, the high energy O–H vibrations are not causing significant multi-phonon de-excitation of the emitting 5d level of Ce3+ if the annealing temperature is above 90…
[Cr(ddpd) 2 ] 3+ : A Molecular, Water‐Soluble, Highly NIR‐Emissive Ruby Analogue
2015
Bright, long-lived emission from first-row transition-metal complexes is very challenging to achieve. Herein, we present a new strategy relying on the rational tuning of energy levels. With the aid of the large N-Cr-N bite angle of the tridentate ligand ddpd (N,N'-dimethyl-N,N'-dipyridine-2-ylpyridine-2,6-diamine) and its strong σ-donating capabilities, a very large ligand-field splitting could be introduced in the chromium(III) complex [Cr(ddpd)2](3+), that shifts the deactivating and photoreactive (4)T2 state well above the emitting (2)E state. Prevention of back-intersystem crossing from the (2)E to the (4)T2 state enables exceptionally high near-infrared phosphorescence quantum yields a…
Glucagon fibril polymorphism reflects differences in protofilament backbone structure
2010
Amyloid fibrils formed by the 29-residue peptide hormone glucagon at different concentrations have strikingly different morphologies when observed by transmission electron microscopy. Fibrils formed at low concentration (0.25 mg/mL) consist of two or more protofilaments with a regular twist, while fibrils at high concentration (8 mg/mL) consist of two straight protofilaments. Here, we explore the structural differences underlying glucagon polymorphism using proteolytic degradation, linear and circular dichroism, Fourier transform infrared spectroscopy (FTIR), and X-ray fiber diffraction. Morphological differences are perpetuated at all structural levels, indicating that the two fibril class…