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X-ray diffraction

Arya Kripalaya Ratheesh, Hazel A Sparkes, Karnam Jayarampillai Rajendra Prasad
A new type of divergent tandem Michael addition of α,α-dicyanomethylidenecarbazoles with β-nitrostyrenes afforded multifunctional benzo[a]carbazoles [BCs] and benzodihydro[a]carbazoles [BDHCs] in good yields. In addition, the direct multicomponent transformation of α,α-dicyanomethylidenecarbazoles, acenaphthenequinone and malononitrile results in the formation of unreported imino and amino functionalized spiro[acenaphthylene-8',4-benzo[a]carbazole] hybrids via amine-controlled divergent reactions. The spiro products were also obtained in good yields...
March 22, 2018: Organic & Biomolecular Chemistry
Jingkun Lu, Xinyi Ma, Vikram Singh, Yujiao Zhang, Pengtao Ma, Chao Zhang, Jingyang Niu, Jingping Wang
A novel isotetramolybdate-supported rhenium carbonyl derivative, [(CH3)4N]4[{Re(CO)3}4(Mo4O16)]·H2O (1), has been successfully synthesized and characterized by single crystal X-ray diffraction crystallography, IR and UV spectroscopy, etc. Results showed that, compound 1 is an efficient catalyst for the oxidation of thioanisole into the corresponding sulfoxide in the presence of hydrogen peroxide with good to excellent conversion (99%) and excellent selectivity (93%). Highly efficient oxygenation of thioanisole can also be achieved with 100% selectivity of sulfone and >99% conversion...
March 22, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Hyuck Jun Jung, Myoung Jin Ho, Sungwan Ahn, Young Taek Han, Myung Joo Kang
The oral bioavailability of entecavir (EV), an anti-viral agent commonly prescribed to treat hepatitis B infections, is drastically reduced under a post-prandial state. This is primarily due to its low permeability in the gastrointestinal tract. To reduce the food effect on the intestinal absorption of the nucleotide analogue, four lipidic prodrugs were synthesized via the esterification of the primary alcohol of EV with fatty acids (hexanoic acid, octanoic acid, decanoic acid, and dodecanoic acid). EV-3-dodecanoate (or EV-C12) exhibited high solubility in a fed state simulated intestinal fluid (78...
March 22, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Seokho Kim, Do Hyoung Kim, Jinho Choi, Hojin Lee, Sun-Young Kim, Jung Woon Park, Dong Hyuk Park
We report the growth and nanoscale luminescence characteristics of 8-hydroxyquinolinato aluminum (Alq₃) with a crystalline hexagonal column morphology. Pristine Alq₃ nanoparticles (NPs) were prepared using a conventional reprecipitation method. Crystal hexagonal columns of Alq₃ were grown by using a surfactant-assisted self-assembly technique as an adjunct to the aforementioned reprecipitation method. The formation and structural properties of the crystalline and non-crystalline Alq₃ NPs were analyzed with scanning electron microscopy and X-ray diffraction...
March 22, 2018: Materials
Xinkuan Liu, Wenyi Shao, Mingyi Luo, Jiayin Bian, Deng-Guang Yu
Nanomaterials providing sustained release profiles are highly desired for efficacious drug delivery. Advanced nanotechnologies are useful tools for creating elaborate nanostructure-based nanomaterials to achieve the designed functional performances. In this research, a modified coaxial electrospinning was explored to fabricate a novel core-sheath nanostructure (nanofibers F2), in which a sheath drug-free gliadin layer was successfully coated on the core ketoprofen (KET)-gliadin nanocomposite. A monolithic nanocomposite (nanofibers F1) that was generated through traditional blending electrospinning of core fluid was utilized as a control...
March 22, 2018: Nanomaterials
Faezeh Kashanian, Mehran Habibi Rezaei, Ali Akbar Moosavi Movahedi, Alireza Bagherpour, Maryam Vatani
Due to the numerous biological applications of Magnetite [Fe3O4] nanoparticles (MNPs), it is essential to identify the influence of these nanoparticles on basic biological processes. Therefore, in this research, the effect of MNPs on the structure and activity of hen egg white lysozyme (HEWL) (EC as a model protein was examined using tryptophan intrinsic fluorescence, UV/Vis, and circular dichroism (CD) spectroscopy. Moreover, enzyme activities were analyzed by a turbidometric approach in the presence of MNPs at concentrations providing MNPs/HEWL ratios in the range of 0...
March 22, 2018: Biomedical Materials
Stelian Pintea, Wester de Poel, Aryan E F de Jong, Roberto Felici, Elias Vlieg
The structure of the solid-liquid interface formed by muscovite mica in contact with two divalent ionic solutions (SrCl2 and BaCl2) is determined using in situ surface X-ray diffraction using both specular and non-specular crystal truncation rods. The 0.5 monolayer of monovalent potassium present at the surface after cleavage is replaced by approximately 0.25 monolayer of divalent ions, closely corresponding to ideal charge compensation within the Stern layer in both cases. The adsorption site of the divalent ions is determined to be in the surface ditrigonal cavities with minor out-of-plane relaxations that are consistent with their ionic radii...
March 22, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
Sijo Francis, Ebey P Koshy, Beena Mathew
Plant-extract mediated nanoparticles synthesis is a viable alternative to chemical reduction techniques. Here, we report the microwave-assisted rapid synthesis of silver and gold nanoparticles by the phytoreducer Stereospermum suaveolens for the first time. The formation of the nascent silver and gold nanoparticles is confirmed by their intense surface plasmon resonance peaks at 431 and 585 nm in UV-visible spectroscopy. The poly phenolic and alcoholic functional groups present in the aqueous root bark extract that performed the bioreduction processes have been detected using Fourier transform infrared spectroscopy...
March 21, 2018: Bioprocess and Biosystems Engineering
Yanghao Shen, Xinyan Zheng, Xiaoyu Wang, Tieshan Wang
Microorganisms play a significant role in uranium(VI) biogeochemistry and influence U(VI) transformation through biomineralization. In the present work, the process of uranium mineralization was investigated by Saccharomyces cerevisiae. The toxicity experiments showed that the viability of cell was not significantly affected by 100 mg L-1 U(VI) under 4 days of exposure time. The batch experiments showed that the phosphate concentration and pH value increased over time during U(VI) adsorption. Meanwhile, thermodynamic calculations demonstrated that the adsorption system was supersaturated with respect to UO2 HPO4 ...
March 21, 2018: Applied Microbiology and Biotechnology
S Maddali, I Calvo-Almazan, J Almer, P Kenesei, J-S Park, R Harder, Y Nashed, S O Hruszkewycz
Coherent X-ray photons with energies higher than 50 keV offer new possibilities for imaging nanoscale lattice distortions in bulk crystalline materials using Bragg peak phase retrieval methods. However, the compression of reciprocal space at high energies typically results in poorly resolved fringes on an area detector, rendering the diffraction data unsuitable for the three-dimensional reconstruction of compact crystals. To address this problem, we propose a method by which to recover fine fringe detail in the scattered intensity...
March 21, 2018: Scientific Reports
Ryo Suzuki, Haruhiko Koizumi, Keiichi Hirano, Takashi Kumasaka, Kenichi Kojima, Masaru Tachibana
High-quality protein crystals meant for structural analysis by X-ray diffraction have been grown by various methods. The observation of dynamical diffraction in protein crystals is an interesting topic because dynamical diffraction generally occurs in perfect crystals such as Si crystals. However, to our knowledge, there is no report yet on protein crystals showing clear dynamical diffraction. We wonder whether the perfection of protein crystals might still be low compared with that of high-quality Si crystals...
March 21, 2018: Proceedings of the National Academy of Sciences of the United States of America
Yidong Luo, Lina Qiao, Huanchun Wang, Shun Lan, Yang Shen, Yuanhua Lin, Cewen Nan
The danger of toxic organic pollutants in both aquatic and air environments calls for high-efficiency purification material. Herein, layered bismuth copper oxychalcogenides, BiCuSO, nanosheets of high photocatalytic activity were introduced to the PVDF (Polyvinylidene Fluoride). The fibrous membranes provide an easy, efficient, and recyclable way to purify organic pollutant. The physical and photophysical properties of the BiCuSO and its polymer composite were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), ultraviolet-visible diffuse reflection spectroscopy (DRS), X-ray photoelectron spectroscopy (XPS), electron spin resonance (EPR)...
March 19, 2018: Materials
Alaa A A Aljabali, Yazan Akkam, Mazhar Salim Al Zoubi, Khalid M Al-Batayneh, Bahaa Al-Trad, Osama Abo Alrob, Alaaldin M Alkilany, Mourad Benamara, David J Evans
(1) Background: There is a growing need for the development of new methods for the synthesis of nanoparticles. The interest in such particles has raised concerns about the environmental safety of their production methods; (2) Objectives: The current methods of nanoparticle production are often expensive and employ chemicals that are potentially harmful to the environment, which calls for the development of "greener" protocols. Herein we describe the synthesis of gold nanoparticles (AuNPs) using plant extracts, which offers an alternative, efficient, inexpensive, and environmentally friendly method to produce well-defined geometries of nanoparticles; (3) Methods: The phytochemicals present in the aqueous leaf extract acted as an effective reducing agent...
March 19, 2018: Nanomaterials
Yi Ding, Le Liu, Yaowei Fang, Xu Zhang, Mingsheng Lyu, Shujun Wang
We report the adsorption of dextranase on a Mg/Fe-layered double hydroxide (Mg/Fe-LDH). We focused the effects of different buffers, pH, and amino acids. The Mg/Fe-LDH was synthesized, and adsorption experiments were performed to investigate the effects. The maximum adsorption occurred in pH 7.0 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) buffer, and the maximum dextranase adsorption uptake was 1.38 mg/g (416.67 U/mg); histidine and phenylalanine could affect the adsorption. A histidine tag could be added to the protein to increase the adsorption significantly...
March 19, 2018: Nanomaterials
Xiaohong Yuan, Kun Luo, Yingju Wu, Julong He, Zhisheng Zhao, Dongli Yu
Although various kinds of carbon nitride precursors have been proposed, s-triazine-based structures are hardly reported because of their unfavorable energy, higher than that of heptazine-based ones. In this study, we investigate the thermal stability of s-triazine-based melam processed at a high pressure of 5 GPa and a temperature of 400-700 °C and complete the analyses of the composition and structure of the treated samples through X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and elemental analyses (EA)...
March 18, 2018: Nanomaterials
Waheed Khan, Qun Wang, Xin Jin
We report the first results of functional properties of nitrogenized silver-permalloy thin films deposited on polyethylene terephthalic ester {PETE (C10 H₈O₄)n } flexible substrates by magnetron sputtering. These new soft magnetic thin films have magnetization that is comparable to pure Ni81 Fe19 permalloy films. Two target compositions (Ni76 Fe19 Ag₅ and Ni72 Fe18 Ag10 ) were used to study the effect of compositional variation and sputtering parameters, including nitrogen flow rate on the phase evolution and surface properties...
March 17, 2018: Materials
M Goudarzi, Sh Saviz, M Ghoranneviss, A Salar Elahi
The objective of this study is to investigate antibacterial characteristics of a thermal plasma spray system. For this purpose, copper powder was coated on a handmade atmospheric plasma spraying system made by the stainless steel 316 substrate, which is preheated at different temperatures before spraying. A number of deposition characteristics such as antibacterial characteristics, adhesion strength and hardness of coating, was investigated. All of the spray parameters are fixed except the substrate temperature...
March 15, 2018: Journal of X-ray Science and Technology
Lidija Radovanović, Jelena Rogan, Dejan Poleti, V Marko Rodić, Zvonko Jagličić
Two new isostructural M(II) (M = Ni, Co) complexes with 2,2'-dipyridylamine (dipya) and dianion of terephthalic acid (H2tpht), [M(dipya)2(H2O)2](tpht) ∙ 2H2O, have been synthesized by ligand exchange reaction and characterized by single-crystal X-ray diffraction, FTIR spectroscopy, TG/DSC analysis and magnetic measurements. The crystal structures of [M(dipya)2(H2O)2](tpht) ∙ 2H2O consist of discrete complex units in which M(II) adopts deformed octahedral geometries. Two dipya ligands and two water molecules are coordinated to M(II) atom, tpht acts as a counter ion, while additional two water molecules remained uncoordinated...
March 2018: Acta Chimica Slovenica
İbrahim Hanif Nazlı, Duygu Barut Celepci, Gül Yakalı, Derya Topkaya, Muhittin Aygün, Serap Alp
In this study, two oxazol-5-one derivatives, C20H20N2O2 (1) and C21H22N2O2 (2), were synthesized by getting condensed p-N,N-diethylaminobenzaldehyde with two presented hippuric acid derivatives and in further studies they were analysed spectrochemically. Molecular and crystal structures of the compounds were determined by single-crystal X-ray diffraction and the results revealed that the molecular packing of the crystal structures were stabilized by weak intraand intermolecular interactions also with C-O∙∙∙π, C-H∙∙∙π and π∙∙∙π stacking interactions...
March 2018: Acta Chimica Slovenica
Kamal T Hindy, Ashraf R Baghdady, Fares M Howari, Ahmed S Abdelmaksoud
This study is concerned with the identification of the mineralogical composition of dust fall samples collected from southeast of Cairo, Egypt. The mineralogical identification was conducted by means of the polarizing microscope, infra-red spectroscopy (IR), and X-ray diffraction (XRD). The relationship between the mineralogical composition of dust fall samples and 10 rock samples from the surrounding terrains were investigated. The major mineralogical species existing in the atmosphere of the study area are: carbonates mainly in the form of calcite in addition to the appearance of the dolomite form in traces overall the study area, but with considerable observation in the southern region; quartz which is less than calcite in its abundance; sulphates in the form of gypsum which may also be present as traces in the anhydrite form...
March 21, 2018: International Journal of Environmental Research and Public Health
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