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X-ray diffraction

Manjie Li, Zhaowei Liu, Yongcan Chen, Yang Hai
Interaction between old, corroded iron pipe surfaces and bulk water is crucial to the water quality protection in drinking water distribution systems (WDS). Iron released from corrosion products will deteriorate water quality and lead to red water. This study attempted to understand the effects of pipe materials on corrosion scale characteristics and water quality variations in WDS. A more than 20-year-old hybrid pipe section assembled of unlined cast iron pipe (UCIP) and galvanized iron pipe (GIP) was selected to investigate physico-chemical characteristics of corrosion scales and their effects on water quality variations...
October 18, 2016: Water Research
Chi Ma, Fenghua Wang, Chang Zhang, Zhigang Yu, Jingjing Wei, Zhongzhu Yang, Yongqiu Li, Zihao Li, Mengying Zhu, Liuqing Shen, Guangming Zeng
The new nanophotocatalyst MgZnCr-TiO2 was prepared by co-precipitation under different molar ratio of metals (Zn:Cr) and the loaded amount of TiO2. And it was characterized by X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy et al. Langmuir model fitted well the adsorption isotherm with the value of R(2) 0.9765, the maximum adsorption capacity was 526.32 mg g(-1), the adsorption followed pseudo second order kinetic by MgZnCr-TiO2 (1:1:2-0.05). The photocatalytic oxidation of Congo red was used to determine the photocatalytic performance of MgZnCr-TiO2 (1:1:2-0...
October 21, 2016: Chemosphere
Ravindra Kumar Jha, Prasanta Kumar Guha
WS2 nanosheets have been synthesized by ultrasonication in a binary mixture of acetone and 2-propanol, with a volume ratio of 80:20. Hansen solubility parameters were taken into consideration as part of the process. These nanosheets have been characterized by electron microscopy, atomic force microscopy, and x-ray diffraction, along with spectroscopy such as ultraviolet-visible spectroscopy, Raman spectroscopy, and x-ray photoelectron spectroscopy. The nanosheets were further used as a sensing material to fabricate a humidity sensor on interdigitated aluminum electrodes, realized over Si/SiO2 substrate using a conventional photolithography technique...
October 24, 2016: Nanotechnology
David W Shaffer, Indrani Bhowmick, Arnold L Rheingold, Charlene Tsay, Brooke N Livesay, Matthew P Shores, Jenny Y Yang
We describe the structural and electronic impacts of modifying the bridging atom in a family of Co(ii) pincer complexes with the formula Co(t-Bu)2P(E)Py(E)P(t-Bu)2Br2 (Py = pyridine, E = CH2, NH, and O for compounds 1-3, respectively). Structural characterization by single crystal X-ray diffraction indicates that compounds 1 and 3 are 5-coordinate complexes with both bromides bound to the Co(ii) ion, while compound 2 is square planar with one bromide in the outer coordination sphere. The reduction potentials of 1-3, characterized by cyclic voltammetry, are consistent with the increasing electron-withdrawing character of the pincer ligand as the linker (E) between the pyridine and phosphine arms becomes more electronegative...
October 24, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Nuria A Illán-Cabeza, Sonia B Jiménez-Pulido, Francisco Hueso-Ureña, Tomás Peña-Ruiz, Miguel Quirós-Olozábal, Miguel N Moreno-Carretero
2,4-Bis(1,3,7-trimethyl-pteridine-2,4(1H,3H)-dione-6-yl)-2,3-dihydro-2-methyl-1H-1,5-benzodiazepine (DLMBZD) has been prepared and its molecular and crystal structures have been determined from spectral and XRD data. The benzodiazepine ligand was reacted with zinc(ii), cadmium(ii) and mercury(ii) chloride, bromide and iodide to give complexes with general formula [M(DLMBZD)X2]. The complexes have been synthesized and characterized by IR, NMR and elemental analysis. The structure of seven complexes has been obtained by single crystal X-ray diffraction...
October 24, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Yiqiong Pu, Xitong Zhang, Qi Zhang, Bing Wang, Yuxi Chen, Chuanqi Zang, Yuqin Wang, Tina Ting-Xia Dong, Tong Zhang
20(S)-Protopanaxadiol (PPD), a bioactive compound extracted from ginseng, possesses cardioprotective, neuroprotective, anti-inflammatory, antiestrogenic, anticancer and anxiolytic effects. However, the clinical application of PPD is limited by its weak aqueous solubility. In this study, we optimized an efficient method of preparing its phospholipid complex (PPD-PLC) using a central composite design and response surface analysis. The prepared PPD-PLC was characterized by differential scanning calorimetric, powder X-ray diffraction, Fourier-transformed infrared spectroscopy and nuclear magnetic resonance analyses associated with molecular docking calculation...
October 19, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Igor V Ukrainets, Lidiya A Petrushova, Svitlana V Shishkina, Lina A Grinevich, Galina Sim
In order to obtain and then test pharmocologically any possible conformers of the new feasible analgesic N-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1H-2λ⁶,1-benzothiazine-3-carboxamide, its 4-O-sodium salt was synthesized using two methods. X-ray diffraction study made possible to determine that, depending on the chosen synthesis conditions, the above-mentioned compound forms either monosolvate with methanol or monohydrate, where organic anion exists in the form of three different conformers. Pharmacological testing of the two known pseudo-enantiomeric forms of the original N-benzylamide and of the two solvates of its sodium salt was performed simultaneously under the same conditions and in equimolar doses...
October 19, 2016: Scientia Pharmaceutica
Mehwish Naz, Toby Hallam, Nina C Berner, Niall McEvoy, Riley Gatensby, John B McManus, Zareen Akhter, Georg S Duesberg
We report on 2H-2H'/1T phase conversion of MoS2 and MoSe2 polycrystalline films grown by thermally assisted conversion. The structural conversion of the transition metal dichalcogenides was successfully carried out by organolithium treatment on chip. As a result we obtained a new 2H-2H'/1T co-phase system of the TMDs thin films which was verified by Raman spectroscopy, X-ray diffraction and X-ray photoelectron spectroscopy. The conversion was successfully carried to on selected areas yielding a lateral heterostructure between the pristine 2H phase and the 2H'/1T co-phase regions...
October 24, 2016: ACS Applied Materials & Interfaces
Hong-Xu Na, Pei-Yu Yang, Zheng Yin, Yun-Hong Wang, Li-Xian Chang, Rui Si, Mohamedally Kurmoo, Ming-Hua Zeng
The square-planar monomer NiL2 (Ni1 ), L=2-ethoxy-6-(N-methyl-iminomethyl)phenolate, reacts with M(H2 O)6 (ClO4 )2 , M=Ni or Co, to form heptanuclear disks [Cox Ni7-x (OH)6 (L)6 ](ClO4 )2 ⋅2 CH3 CN (Cox Ni7-x , x=0-7) and the co-crystal [Cox Ni7-x (OH)6 L6 ][NiL2 ](ClO4 )2 ⋅2 CH3 CN (Cox Ni7-x -Ni1 ) under ambient conditions. It has proved possible to explore the bottom-up assembly process of Cox Ni7-x and Cox Ni7-x -Ni1 in real time. The final products have been characterized by thermogravimetric analysis, IR, elemental analysis, ICP-MS, and single-crystal X-ray diffraction...
October 24, 2016: Chemistry: a European Journal
Raj Kumar Koninti, Sandeep Palvai, Sagar Satpathi, Sudipta Basu, Partha Hazra
Mesoporous silica nano-channel (MCM-41) based molecular switching of a biologically important anticancer drug, namely, ellipticine (EPT) has been utilized to probe its efficient loading onto MCM-41, and its subsequent release to intra-cellular biomolecules, like DNA. By exploiting various spectroscopic techniques (like, steady state fluorescence, time-resolved fluorescence and circular dichroism), it has been shown that EPT can be easily translocated from MCM-41 to DNA without using any external stimulant. Blue emission of EPT in a polar aprotic solvent, i...
October 24, 2016: Nanoscale
Qiufang Yao, Chao Wang, Bitao Fan, Hanwei Wang, Qingfeng Sun, Chunde Jin, Hong Zhang
In the present paper, uniformly large-scale wurtzite-structured ZnO nanorod arrays (ZNAs) were deposited onto a wood surface through a one-step solvothermal method. The as-prepared samples were characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), thermogravimetry (TG), and differential thermal analysis (DTA). ZNAs with a diameter of approximately 85 nm and a length of approximately 1...
October 24, 2016: Scientific Reports
Yong Guo, Ruige Yang, Hui Xu
Introduction of the halogen atom or the acyl group at the C-ring of fraxinellone was investigated. Some unexpected halogenation products were obtained with the different chlorination/bromination reagents, and their possible reaction mechanisms were also proposed. Seven key steric structures of 2a', 2b, 2b', 2c', 3a, 3b, and one isomer (5'α-Cl) of 2a were further confirmed by single-crystal X-ray diffraction. Especially compounds 2a, 2a', 3a and 3c exhibited more potent insecticidal activity than toosendanin...
October 24, 2016: Scientific Reports
Rebekka Wild, Michael Hothorn
Obtaining well-ordered crystals remains a significant challenge in protein X-ray crystallography. Carrier-driven crystallization can facilitate crystal formation and structure solution of difficult target proteins. We obtained crystals of the small and highly flexible SPX domain from the yeast vacuolar transporter chaperone 4 (Vtc4) when fused to a C-terminal, non-cleavable macro tag derived from human histone macroH2A1.1. Initial crystals diffracted to 3.3 Å resolution. Reductive protein methylation of the fusion protein yielded a new crystal form diffracting to 2...
October 24, 2016: Protein Science: a Publication of the Protein Society
N Almenara, L Ibarlucea, C Mendicute-Fierro, J M Seco, A Rodríguez-Diéguez, M A Garralda, M A Huertos
[RhCl(NCO)(nbyl)(PR3)] (nbyl = σ-norbornenyl; NCO = quinoline-8-acyl; R = p-F-C6H4) (1) has been synthesized by the reaction of [Rh(nbd)Cl]2 (nbd = norbornadiene) with 2 equivalents of NCHO (quinoline-8-carbaldehyde) and 2 equivalents of PR3. Compound 1 has been fully characterized in solution and also in the solid state by X-ray diffraction. Compound 1 shows low stability in solution and undergoes slow ring closure isomerization to [RhCl(NCO)(ntyl)(PR3)] (ntyl = σ-nortricyclyl) (2) after 12 hours. Reaction of 1 with an extra equivalent of aldehyde (NCHO) and PR3 led to the formation of [RhCl(H)(NCO)(PR3)2] (3) and an equivalent of ketone, which is a hydroacylation product...
October 24, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Michael W Cooke, Marie-Pierre Santoni, Bernold Hasenknopf, Garry S Hanan
A modulable and simple approach towards heteroleptic ruthenium(ii) complexes of amidine-based polypyridine ligands is presented. New complexes 1 and 2 ([(terpyridine)Ru(terpyridine-C6H4-C(NR)(NHR))](2+) with R = propyl and R = phenyl derivatives, respectively) were characterized by NMR spectroscopy in solution and by X-ray diffraction, which confirmed the obtention of the (E) stereoisomer alone. Depending on the bulkiness of the R-substituents introduced on the amidine moiety, rotational isomerism around the C-N bond could be observed at r...
October 24, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Sergio Battiato, Jean-Luc Deschanvres, Hervé Roussel, Laetitia Rapenne, Béatrice Doisneau, Guglielmo G Condorelli, David Muñoz-Rojas, Carmen Jiménez, Graziella Malandrino
Conventional and Pulsed Liquid Injection MOCVD processes (C-MOCVD and PLI-MOCVD) have been explored as synthetic routes for the growth of BaMgF4 on Si (100) and single crystalline SrTiO3 (100) substrates. For the two applied approaches, the volatile, thermally stable β-diketonate complexes Ba(hfa)2tetraglyme and Mg(hfa)2(diglyme)2(H2O)2 have been used as single precursors (C-MOCVD) or as a solution multimetal source (PLI-MOCVD). Structural characterization through X-ray diffraction (XRD) measurements and transmission electron microscopy (TEM) analyses confirmed the formation of epitaxial BaMgF4 films on SrTiO3 substrates...
October 24, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Hao Zhang, Xintao Wu
Metal-organic complexes (MOCs) as promising candidates for directly visual X-ray detection at room temperature are rare and discovered unexpectedly, even though every crystalline material needs X-ray diffraction studies. Here, we report a rational strategy of mimicking host-guest system for developing high-sensitive X-ray-induced photochromic materials. Two resulting calix-like metal-organic complexes (cMOC-1 and cMOC-2) were prepared by encapsulating the electron-capturing "guest" into the cavity of calix-like electron-donating "host...
April 2016: Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
Gabin Guélou, Paz Vaqueiro, Jesús Prado-Gonjal, Tristan Barbier, Sylvie Hébert, Emmanuel Guilmeau, Winfried Kockelmann, Anthony V Powell
A family of phases, Co x TiS2 (0 ≤ x ≤ 0.75) has been prepared and characterised by powder X-ray and neutron diffraction, electrical and thermal transport property measurements, thermal analysis and SQUID magnetometry. With increasing cobalt content, the structure evolves from a disordered arrangement of cobalt ions in octahedral sites located in the van der Waals' gap (x ≤ 0.2), through three different ordered vacancy phases, to a second disordered phase at x ≥ 0.67. Powder neutron diffraction reveals that both octahedral and tetrahedral inter-layer sites are occupied in Co0...
March 7, 2016: Journal of Materials Chemistry. C, Materials for Optical and Electronic Devices
Ion N Mihailescu, Dorota Bociaga, Gabriel Socol, George E Stan, Mariana-Carmen Chifiriuc, Coralia Bleotu, Marius A Husanu, Gianina Popescu-Pelin, Liviu Duta, Catalin R Luculescu, Irina Negut, Claudiu Hapenciuc, Cristina Besleaga, Irina Zgura, Florin Miculescu
We report on the selection by combinatorial pulsed laser deposition of Silver-doped Carbon structures with reliable physical-chemical characteristics and high efficiency against microbial biofilms. The investigation of the films was performed by scanning electron microscopy, high resolution atomic force microscopy, energy dispersive X-Ray Spectroscopy, X-ray diffraction, Raman spectroscopy, bonding strength "pull-out" tests, and surface energy measurements. In vitro biological assays were carried out using a large spectrum of bacterial and fungal strains, i...
October 20, 2016: International Journal of Pharmaceutics
N Pugazhenthiran, K Kaviyarasan, T Sivasankar, A Emeline, D Bahnemann, R V Mangalaraja, S Anandan
Porous NiTiO3 nanorods were synthesized through the sonochemical route followed by calcination at various temperature conditions. Surface morphology of the samples was tuned by varying the heat treatment temperature from 100 to 600°C. The synthesized NiTiO3 nanorods were characterized by transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction, diffused reflectance spectroscopy, photoluminescence spectroscopy and Brunauer-Emmett-Teller (BET) analyses. The characterization studies revealed that the NiTiO3 nanomaterial was tuned to porous and perfectly rod shaped structure during the heat treatment at 600°C...
October 14, 2016: Ultrasonics Sonochemistry
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