Search results for " x-ray diffraction"
showing 10 items of 44 documents
High-pressure characterization of multifunctional CrVO4
2020
[EN] The structural stability and physical properties of CrVO(4)under compression were studied by x-ray diffraction, Raman spectroscopy, optical absorption, resistivity measurements, andab initiocalculations up to 10 GPa. High-pressure x-ray diffraction and Raman measurements show that CrVO(4)undergoes a phase transition from the ambient pressure orthorhombic CrVO4-type structure (Cmcm space group, phase III) to the high-pressure monoclinic CrVO4-V phase, which is proposed to be isomorphic to the wolframite structure. Such a phase transition (CrVO4-type -> wolframite), driven by pressure, also was previously observed in indium vanadate. The crystal structure of both phases and the pressure …
Residual stress measurement in innovative friction stir welding processes
2017
In recent years, important innovations have been introduced in Friction Stir Welding (FSW) technology such as, for example, the Laser assisted Friction Stir Welding (LFSW) and in-process Cooled Friction Stir Welding (CFSW). Residual stresses have a fundamental role in welded structures because they affect the way to design the structures, fatigue life, corrosion resistance and many other material properties. Consequently, it is important to investigate the residual stress distribution in FSW where, though the heat input is lower compared to traditional welding techniques, the constraints applied to the parts to weld are more severe. The aim of the present work is to verify the capabilities …
Pressure effects on α-synuclein amyloid fibrils: An experimental investigation on their dissociation and reversible nature
2017
αâsynuclein amyloid fibrils are found in surviving neurons of Parkinson's disease affected patients, but the role they play in the disease development is still under debate. A growing number of evidences points to soluble oligomers as the major cytotoxic species, while insoluble fibrillar aggregates could even play a protection role. In this work, we investigate αâsynuclein fibrils dissociation induced at high pressure by means of Small Angle X-ray Scattering and Fourier Transform Infrared Spectroscopy. Fibrils were produced from wild type αâsynuclein and two familial mutants, A30P and A53T. Our results enlighten the different reversible nature of αâsynuclein fibrils fragmentati…
Determinants for Tight and Selective Binding of a Medicinal Dicarbene Gold(I) Complex to a Telomeric DNA G-Quadruplex: a Joint ESI MS and XRD Investi…
2016
International audience; The dicarbene gold(I) complex [Au(9-methylcaffein-8-ylidene)(2)]BF4 is an exceptional organometallic compound of profound interest as a prospective anticancer agent. This gold(I) complex was previously reported to be highly cytotoxic toward various cancer cell lines invitro and behaves as a selective G-quadruplex stabilizer. Interactions of the gold complex with various telomeric DNA models have been analyzed by a combined ESI MS and X-ray diffraction (XRD) approach. ESI MS measurements confirmed formation of stable adducts between the intact gold(I) complex and Tel 23 DNA sequence. The crystal structure of the adduct formed between [Au(9-methylcaffein-8-ylidene)(2)]…
X-Ray characterization of 3-methyl-6,8-di(2-pyridyl)-[1,2,3]triazolo[5′,1′:6,1]pyrido[2,3-d]pyrimidine
2005
The structure of a new compound 3-methyl-6,8-di(2-pyridyl)[1,2,3]triazolo[5′,1′:6,1]pyrido[2,3- d]pyrimidine 3, formed in the reaction of 3-methyl-[1,2,3]triazolo[1,5-a]pyridine with 2-cyanopyridine, is determined by X-ray diffraction analysis. Abarca Gonzalez, Belen. Belen.Abarca@uv.es ; Ballesteros Campos, Rafael, Rafael.Ballesteros@uv.es ; Chadlaoui, Mimoun, michad@alumni.uv.es ; Ramirez de Arellano Sanchez, Maria del Carmen, Ramirezdearellano@uv.es
Caracterización mineralógica de materias primas cerámicas por métodos cuantitativos de difracción de rayos x
2002
[ES] El objetivo de este trabajo es la caracterización de fases minerales presentes en materias primas utilizadas en la industria cerámica. Para ello se utilizan dos métodos cuantitativos basados en la difracción de rayos X, el método de Rietveld y un método sin estándar. Los resultados obtenidos por difracción rayos X de estos materiales policristalinos se comparan con los correspondientes análisis químicos y la composición normativa calculada. La precisión y reproducibilidad de los resultados obtenidos, en concordancia con los del análisis químico, son una de las más importantes ventajas de la difractometría cuantitativa que facilitan su utilización en la industria cerámica en el control …
X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.
2017
In the solid state, salophen–UO2 complexes bearing one, two, or three NO2 groups lack the pronounced ligand curvature that represents a structural hallmark for this class of compounds. A detailed structural study based on single-crystal X-ray crystallography and computational methods, comprising molecular dynamics, gas-phase Hartree Fock, and DFT calculations, was carried out to investigate the coordination properties of the uranyl cation.
Nature-Inspired Effects of Naturally Occurring Trace Element-Doped Hydroxyapatite Combined with Surface Interactions of Mineral-Apatite Single Crysta…
2022
Innovative engineering design for biologically active hydroxyapatites requires enhancing both mechanical and physical properties, along with biocompatibility, by doping with appropriate chemical elements. Herein, the purpose of this investigation was to evaluate and elucidate the model of naturally occurring hydroxyapatite and the effects of doped trace elements on the function of normal human fibroblasts, representing the main cells of connective tissues. The substrates applied (geological apatites with hexagonal prismatic crystal habit originated from Slyudyanka, Lake Baikal, Russia (GAp) and from Imilchil, The Atlas Mountains, Morocco (YAp)) were prepared from mineral natural apatite wit…
Enantiomerically pure trinuclear helicates via diastereoselective self-assembly and characterization of their redox chemistry.
2014
A tris(bipyridine) ligand 1 with two BINOL (BINOL = 2, 2′-dihydroxy-1, 1′-binaphthyl) groups has been prepared in two enantiomerically pure forms. This ligand undergoes completely diastereoselective self-assembly into D2-symmeteric double-stranded trinuclear helicates upon coordination to copper(I) and silver(I) ions and to D3-symmetric triple-stranded trinuclear helicates upon coordination to copper(II), zinc(II), and iron(II) ions as demonstrated by mass spectrometry, NMR and CD spectroscopy in combination with quantum chemical calculations and X-ray diffraction analysis. According to the calculations, the single diastereomers that are formed during the self-assembly process are strongly …
The Synthesis and Structure of Palladium 2,4-dimethyl-8-hydroselenoquinolinate
2014
The internal complex palladium 2,4-dimethyl-8- hydroselenoquinolinate Pd[C9H4(CH3)2NSe]2 (I) has been synthesized in the course of study of the complexing activity of 8- hydroselenoquinoline and investigation of the nature of chemical bond metal-selenium in the five-membered metal-containing ring. X-ray diffraction data for I: Monoclinic, space group P21/n, a = 9.0092(4), b = 16.3290(7), c = 14.1073(6) A, = 106.710(2)o, V = 1987.7(2) A3, Z = 4, R1=0.0477, wR2=0.1182 for 4499 reflections (diffractometer Bruker-Nonius KappaCCD, MoK). The crystal structure of the complex I is formed by neutral asymmetric molecules Pd[C9H4(CH3)2NSe]2 in which the central atom palladium is connected bidentic…