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X-ray diffraction

Aleksandra Radtke, Adrian Topolski, Tomasz Jędrzejewski, Wiesław Kozak, Beata Sadowska, Marzena Więckowska-Szakiel, Piotr Piszczek
Morphologically different titania coatings (nanofibers (TNFs), nanoneedles (TNNs), and nanowires (TNWs)) were studied as potential biomedical materials. The abovementioned systems were produced in situ on Ti6Al4V substrates via direct oxidation processes using H₂O₂ and H₂O₂/CaCl₂ agents, and via thermal oxidation in the presence of Ar and Ar/H₂O₂. X-ray diffraction and Raman spectroscopy have been used to structurally characterize the produced materials. The morphology changes on the titanium alloy surface were investigated using scanning electron microscopy...
April 22, 2017: Nanomaterials
Renyue Yang, Ping Li, Nana Li, Qian Zhang, Xue Bai, Lishuo Wang, Yiying Xiao, Lirong Sun, Quan Yang, Jian Yan
Mangosteen (Garcinia mangostana L.) is one of the most popular tropical fruits (called the "Queen of Fruits"), and is a rich source of oxygenated and prenylated xanthone derivatives. In the present work, phytochemical investigation has resulted in one new prenylated xanthone and 13 known xanthones isolated from the pericarp of G. mangostana. Their structures were established by spectroscopic data analysis, including X-ray diffraction. The new one was further tested for cytotoxic activity against seven cancer cell lines (CNE-1, CNE-2, A549, H490, PC-3, SGC-7901, U87), displaying the half maximal inhibitory concentration (IC₅0) values 3...
April 25, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Yongquan Qing, Chuanbo Hu, Chuanning Yang, Kai An, Fawei Tang, Junyan Tan, Changsheng Liu
Superhydrophobic surfaces with self-cleaning properties have developed, based on roughness on the micro/nanometer scales and low-energy surfaces. However, such surfaces are fragile and stop functioning when exposed to oil. Addressing these challenges, here we show an ultra-robust self-cleaning surface fabricated by a process of metal electrodeposition of a rough structure that is subsequently coated with a fluorinated metal-oxide nanoparticles. Scanning electron microscopy, Fourier-transform infrared spectroscopy, X-ray photoelectron spectroscopy and X-ray diffraction were employed to characterize the surfaces...
April 25, 2017: ACS Applied Materials & Interfaces
Mattia Sist, Carlo Gatti, Peter Nørby, Simone Cenedese, Hidetaka Kasai, Kenichi Kato, Bo B Iversen
The discovery of the ultra-high thermoelectric figure of merit of 2.6 in SnSe has drawn attention to other lead-free IV-VI orthorhombic semiconductors. GeSe has been predicted to possess thermoelectric performances comparable to SnSe. Here, a complete structural study is reported of GeSe with temperature by means of high-resolution synchrotron powder X-ray diffraction. In the orthorhombic phase, the evolution of the bond distances with temperature is shown to deviate significantly with respect to SnSe. Analysis of the chemical bonding within the Quantum Theory of Atoms in Molecules shows that GeSe is ionic with van der Waals interlayer interactions...
April 25, 2017: Chemistry: a European Journal
Chun Hong Yoon, Hasan DeMirci, Raymond G Sierra, E Han Dao, Radman Ahmadi, Fulya Aksit, Andrew L Aquila, Alexander Batyuk, Halilibrahim Ciftci, Serge Guillet, Matt J Hayes, Brandon Hayes, Thomas J Lane, Meng Liang, Ulf Lundström, Jason E Koglin, Paul Mgbam, Yashas Rao, Theodore Rendahl, Evan Rodriguez, Lindsey Zhang, Soichi Wakatsuki, Sébastien Boutet, James M Holton, Mark S Hunter
We provide a detailed description of selenobiotinyl-streptavidin (Se-B SA) co-crystal datasets recorded using the Coherent X-ray Imaging (CXI) instrument at the Linac Coherent Light Source (LCLS) for selenium single-wavelength anomalous diffraction (Se-SAD) structure determination. Se-B SA was chosen as the model system for its high affinity between biotin and streptavidin where the sulfur atom in the biotin molecule (C10H16N2O3S) is substituted with selenium. The dataset was collected at three different transmissions (100, 50, and 10%) using a serial sample chamber setup which allows for two sample chambers, a front chamber and a back chamber, to operate simultaneously...
April 25, 2017: Scientific Data
Minfeng Lü, Hongil Jo, Seung-Jin Oh, Suheon Lee, Kwang-Yong Choi, Yang Yu, Kang Min Ok
Three new quaternary lithium metal tellurites, Li3MTe4O11 (M = Al, Ga, and Fe), have been synthesized through hydrothermal and solid-state reactions by heating a mixture of LiOH·H2O, TeO2, and M2O3. The structures of the title compounds have been determined by single-crystal and powder X-ray diffraction. Li3MTe4O11 reveal three-dimensional (3D) frameworks that consist of MO6 octahedra, TeO3 trigonal pyramids, and TeO4 polyhedra. The variable coordination mode of Te(4+) within the framework leads to the formation of 1D channels that host Li(+) cations on both tetrahedral and octahedral sites...
April 25, 2017: Inorganic Chemistry
Wei Liu, Yanlong Wang, Zhuanling Bai, Yuxiang Li, Yaxing Wang, Lanhua Chen, Lin Xu, Juan Diwu, Zhifang Chai, Shuao Wang
The effective detection of chromate anion in aqueous solution is highly desirable due to its high solubility, environmental mobility, carcinogenicity, and bioaccumulation effect. New strategy for precise detection of chromate anion in the presence of large excess of other anions such as Cl-, NO3-, HCO3- in drinking water and natural water systems remains a challenge. Herein, a hydrolytically stable cationic luminescent europium(III) based metal organic framework (MOF) 1 is successfully synthesized and investigated as a luminescent sensor which exhibits instant and selective luminescence quenching property toward CrO42- in aqueous solutions...
April 25, 2017: ACS Applied Materials & Interfaces
Lalit A Darunte, Yuri Terada, Christopher R Murdock, Krista S Walton, David S Sholl, Christopher W Jones
The potential of using an amine-functionalized MOF, mmen-M2(dobpdc) (M = Mg, Mn), supported on a structured monolith contactor for CO2 capture from simulated flue gas is explored. The stability of the unsupported MOF powders under humid conditions is explored using nitrogen physisorption and X-ray diffraction analysis before and after exposure to humidity. Based on its superior stability to humidity, mmen-Mg2(dobpdc) is selected for further growth on a honeycomb cordierite monolith that is washcoated with α-alumina...
April 25, 2017: ACS Applied Materials & Interfaces
Pan Wang, Jiwen Guan, Draven T K Galeschuk, Yansun Yao, Cindy Fung He, Shan Jiang, Sijia Zhang, Ying Liu, Meiling Jin, Changqing Jin, Yang Song
Formamidinium lead iodide (FAPbI3) perovskite as a superior solar cell material was investigated in two polymorphs at high pressures using in situ synchrotron X-ray diffraction, FTIR spectroscopy, photoluminescence (PL) spectroscopy, electrical conductivity (EC) measurements, and ab initio calculations. We identified two new structures (i.e., Imm2 and Immm) for α-FAPbI3, but only a structural distortion (in C2/c) for δ-FAPbI3 on compression. Pressure-enhanced hydrogen bond plays a prominent role in structural modifications, as corroborated by FTIR spectroscopy...
April 25, 2017: Journal of Physical Chemistry Letters
Rui Zhang, Michihisa Murata, Atsushi Wakamiya, Takafumi Shimoaka, Takeshi Hasegawa, Yasujiro Murata
Dissociation of an acid molecule in aqueous media is one of the most fundamental solvation processes but its details remain poorly understood at the distinct molecular level. Conducting high-pressure treatments of an open-cage fullerene C70 derivative with hydrogen fluoride (HF) in the presence of H2O, we achieved an unprecedented encapsulation of H2O·HF and H2O. Restoration of the opening yielded the endohedral C70s, that is, (H2O·HF)@C70, H2O@C70, and HF@C70 in macroscopic scales. Putting an H2O·HF complex into the fullerene cage was a crucial step, and it would proceed by the synergistic effects of "pushing from outside" and "pulling from inside...
April 2017: Science Advances
Chiu-Yen Wang, Yu-Chen Hong, Zong-Jie Ko, Ya-Wen Su, Jin-Hua Huang
In this study, defect-free zinc blende GaAs nanowires on Si (111) by molecular beam epitaxy (MBE) growth are systematically studied through Au-assisted vapor-liquid-solid (VLS) method. The morphology, density, and crystal structure of GaAs nanowires were investigated as a function of substrate temperature, growth time, and As/Ga flux ratio during MBE growth, as well as the thickness, annealing time, and annealing temperature of Au film using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), cathodoluminescence (CL), and Raman spectroscopy...
December 2017: Nanoscale Research Letters
Makoto Hirose, Kei Shimomura, Nicolas Burdet, Yukio Takahashi
Coherent diffraction imaging (CDI) is a method for reconstructing the complex-valued image of an object from diffraction intensities by using iterative phasing methods. X-ray ptychography is a scanning type of CDI using X-rays, allowing us to visualize the complex transmission function of an extended specimen. We here propose the use of the Kramers-Kronig relation (KKR) as an additional constraint in phase retrieval algorithms for multiple-energy X-ray ptychography using the absorption edge of a specific element...
April 17, 2017: Optics Express
Zaifa Yang, Denghui Xu, Jiayue Sun
A series of Ba<sub>3</sub>Lu(PO<sub>4</sub>)<sub>3</sub>:Sm<sup>3+</sup> phosphors were prepared by traditional high temperature solid-state reaction methods. The site-preferred occupancy of Sm<sup>3+</sup> in Ba<sub>3</sub>Lu(PO<sub>4</sub>)<sub>3</sub> and the luminescence properties of Ba<sub>3</sub>Lu(PO<sub>4</sub>)<sub>3</sub>:Sm<sup>3+</sup> were studied combined with X-ray diffraction, photoluminescence excitation (PLE) spectra, and emission (PL) spectra as well as temperature-dependent PL and decay curves...
April 17, 2017: Optics Express
Shafiullah Khan, Wang Runguo, Kamran Tahir, Zhang Jichuan, Liqun Zhang
A simple, green method is described for the synthesis of Gold (Au) nanoparticles (NPs) using Cotoneaster horizontalis extract as a phyto-reducer and capping agent with superior photo inhibition activity against Pseudomonas aeruginosa. Different from the other methods used elevated temperatures for nanoparticles synthesis, the novelty of our method lies in its energy saving process and fast synthesis rates (~5min for AuNPs), and its potential to tune the nanoparticles size and afterward their catalytic activity...
April 13, 2017: Journal of Photochemistry and Photobiology. B, Biology
Yujiao Guo, Kuixin Cui, Mingyi Hu, Shengming Jin
The wire-like Fe(3+)-doped (BiO)2CO3 photocatalyst was synthesized by a hydrothermal method. The photocatalytic property of Fe(3+)-doped (BiO)2CO3 nanowires was evaluated through degradation of sodium isopropyl xanthate under UV-visible light irradiation. The as-prepared Fe(3+)-doped (BiO)2CO3 nanowires were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), UV-visible diffuse reflectance spectroscopy (UV-vis DRS), X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) in detail...
April 17, 2017: Chemosphere
Ali Akbar Bazrafshan, Mehrorang Ghaedi, Shaaker Hajati, Reza Naghiha, Arash Asfaram
Undoped and Au-doped ZnO-nanorods were synthesized in the presence of ultrasound and loaded on activated carbon following characterization by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmittance electron microscopy (TEM), UV-vis spectrophotometry and Fourier transform infrared spectroscopy (FTIR). The Au-doped ZnO-nanorod-loaded activated carbon (Au-ZnO-NRs-AC) was used for the simultaneous removal of methylene blue (MB) and auramine O (AO) from aqueous solutions. Central composite design (CCD) under response surface methodology (RSM) was applied to model and optimize the dyes removal versus adsorbent mass, pH, and initial dyes concentration and sonication time as well as to investigate the possible interaction between these variables...
April 21, 2017: Ecotoxicology and Environmental Safety
Kokulnathan Thangavelu, Nehru Raja, Shen-Ming Chen, Wei-Cheng Liao
Amalgamation of noble metal nanomaterials on graphene flakes potentially paves one way to improve their physicochemical properties. This paper deals with the simultaneous electrochemical deposition of gold and palladium nanoparticles on graphene flakes (Au/PdNPs-GRF) for the sensitive determination of caffeic acid (CA). The physiochemical properties of the prepared Au/PdNPs-GRF was characterized by using numerous analytical techniques such as scanning electron microscopy, electron dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy, X-ray powder diffraction, Raman spectroscopy and electrochemical impedance spectroscopy...
April 13, 2017: Journal of Colloid and Interface Science
Bahattin Gullu, Yusuf Kagan Kadioglu
Tourmaline defines a group of complex borosilicate forms as accessory mineral in igneous and metamorphic rocks and they act an important role in the interpretation of the chemical composition changes of the composition of the host fluid of the magma. The variety of tourmaline can be identified by using optical microscopy, X-Ray Diffraction (XRD) and by determining its chemical composition through Polarized Energy Dispersive X-Ray Fluorescence (PED-XRF) methods. However, microscopic investigations and XRD analyses are not quite adequate for detailed determination of tourmaline sub-groups...
April 19, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Ziling Peng, Chunmei Xiong, Wei Wang, Fatang Tan, Yang Xu, Xinyun Wang, Xueliang Qiao
In this study, a highly stable nanoscale zero-valent iron composite (HS-NZVI) was obtained via modifying nanoscale zero-valent iron (NZVI) with tetraethyl orthosilicate (TEOS) and hexadecyltrimethoxysilane (HDTMOS), and used for Cr(VI) remediation in aqueous solution. The obtained HS-NZVI remained stable in water without being oxidized for over 12h. After four consecutive runs, the Cr(VI) removal efficiency of HS-NZVI maintained a value of more than 82%. Moreover, the Cr(VI) removal capacity per unit weight of NZVI in HS-NZVI reached 292...
April 21, 2017: Science of the Total Environment
Ashish Chhaganlal Gandhi, Jauyn Grace Lin
Finite sized Ni/NiO nanoparticles (NPs) are prepared by oxidizing pure Ni-NPs in an ambient atmosphere with varying annealing time (t A). A synchrotron radiation x-ray diffraction technique was used to estimate the grain size, weight fraction and lattice parameters of Ni and NiO. The temperature (T) dependencies of effective g-factor and line-width of ferromagnetic resonance (FMR) spectra for a series of Ni/NiO NPs are determined. Three T-regions with different FMR behaviors T  >  200 K, 200  >  T  >  130 K and T  <  130 K are identified...
April 24, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
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