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https://www.readbyqxmd.com/read/29156313/synthesis-spectroscopic-and-td-dft-quantum-mechanical-study-of-azo-azomethine-dyes-a-laser-induced-trans-cis-trans-photoisomerization-cycle
#1
Anton Georgiev, Anton Kostadinov, Deyan Ivanov, Deyan Dimov, Simeon Stoyanov, Lian Nedelchev, Dimana Nazarova, Denitsa Yancheva
This paper describes the synthesis, spectroscopic characterization and quantum mechanical calculations of three azo-azomethine dyes. The dyes were synthesized via condensation reaction between 4-(dimethylamino)benzaldehyde and three different 4-aminobenzene azo dyes. Quantum chemical calculations on the optimized molecular geometry and electron densities of the trans (E) and cis (Z) isomers and their vibrational frequencies have been computed by using DFT/B3LYP density-functional theory with 6-311++G(d,p) basis set in vacuo...
November 7, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29154225/matrix-completion-by-deep-matrix-factorization
#2
Jicong Fan, Jieyu Cheng
Conventional methods of matrix completion are linear methods that are not effective in handling data of nonlinear structures. Recently a few researchers attempted to incorporate nonlinear techniques into matrix completion but there still exists considerable limitations. In this paper, a novel method called deep matrix factorization (DMF) is proposed for nonlinear matrix completion. Different from conventional matrix completion methods that are based on linear latent variable models, DMF is on the basis of a nonlinear latent variable model...
November 3, 2017: Neural Networks: the Official Journal of the International Neural Network Society
https://www.readbyqxmd.com/read/29152377/crystal-structure-of-bis-%C3%AE-2-4-bromo-2-2-2-5-bromo-2-oxidobenzylidene-amino-ethyl-sulfanyl-sulfonyl-ethyl-imino-methyl-phenolato-dicopper-ii-dimethylformamide-disolvate
#3
Julia A Rusanova, Dmytro Bederak
The title dinuclear copper(II) complex [Cu2(C18H16Br2N2O4S2)2] was prepared by direct synthesis of a dianionic Schiff base derived from 5-bromo-salicyl-aldehyde and cyste-amine. The discrete mol-ecules lie across inversion centers and crystallize with two di-methyl-formamide (DMF) mol-ecules of crystallization. The unique Cu(II) ion is four-coordinated by two tetra-dentate Schiff base ligands in a distorted square-planar N2O2 environment. In the crystal, short inter-molecular S⋯Br contacts, weak C-H⋯O hydrogen bonds and intra- and inter-molecular π-π stacking inter-actions between rings of the ligand link the components into a two-dimensional network parallel to (010)...
November 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29152332/crystal-structure-of-poly-di-aqua-bis-%C3%AE-5-benzene-1-3-di-carboxyl-ato-n-n-di-methyl-formamide-cadmium-ii-disodium-i
#4
Matimon Sangsawang, Kittipong Chainok, Nanthawat Wannarit
The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2] n or [CdNa2(1,3-bdc)2(DMF)(H2O)2] n , is a new Cd(II)-Na(I) heterobimetallic coordination polymer. The asymmetric unit consists of one Cd(II) atom, two Na(I) atoms, two 1,3-bdc ligands, two coordinated water mol-ecules and one coordinated DMF mol-ecule. The Cd(II) atom exhibits a seven-coordinate geometry, while the Na(I) atoms can be considered to be penta-coordinate. The metal ions and their symmetry-related equivalents are connected via chelating-bridging carboxyl-ate groups of the 1,3-bdc ligands to generate a three-dimensional framework...
November 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29148774/the-atmospheric-oxidation-of-furan-and-methyl-substituted-furans-initiated-by-hydroxyl-radicals
#5
Yi Yuan, Xiaocan Zhao, Sainan Wang, Liming Wang
Atmospheric oxidation mechanism of furan and methyl furans (MFs) initiated by OH radicals is studied using high-level quantum chemistry and kinetic calculations. The reaction starts mainly with OH addition to C2/C5-position, forming highly chemically activated adduct radical R2*/R5*, which would either be stabilized by collision or promptly isomerize to R2B*/R5B* by breaking the C2-O/C5-O bond and then isomerize to other conformers of R2B/R5B by internal rotations. Under the atmospheric conditions, the ring-retaining radical R2/R5 would recombine with O2 and be converted to a 5-hydroxy-2-furanone compound and a compound containing epoxide, ester, and carbonyl functional groups, while the ring-opening radicals R2B/R5B would react with O2 and form unsaturated 1,4-dicarbonyl compounds...
November 17, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29147706/amine-assisted-top-down-delamination-of-the-two-dimensional-metal-organic-framework-cu2-bdc-2
#6
Christel Kutzscher, André Gelbert, Sebastian Ehrling, Claudia Schenk, Irena Senkovska, Stefan Kaskel
A chemically assisted top-down method for the synthesis of MOF-nanoplates was developed applying amine based delamination agents. Applied on a well described model structure, the layered MOF Cu2(bdc)2(DMF)2 (bdc - 1,4-benzenedicarboxylate), two different strategies of amine assisted delamination turned out to be successful to obtain nanoplates. Particles with thicknesses of around 70 nm were obtained by direct delamination of crystals using octylamine. The surfactant (polyvinylpyrrolidone) assisted synthesis combined with a post-synthetic amine delamination step enabled a further reduction of the thickness of the MOF nanoplates down to 4-14 nm...
November 17, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29144379/a-digital-microfluidics-platform-for-loop-mediated-isothermal-amplification-detection
#7
Beatriz Jorge Coelho, Bruno Veigas, Hugo Águas, Elvira Fortunato, Rodrigo Martins, Pedro Viana Baptista, Rui Igreja
Digital microfluidics (DMF) arises as the next step in the fast-evolving field of operation platforms for molecular diagnostics. Moreover, isothermal schemes, such as loop-mediated isothermal amplification (LAMP), allow for further simplification of amplification protocols. Integrating DMF with LAMP will be at the core of a new generation of detection devices for effective molecular diagnostics at point-of-care (POC), providing simple, fast, and automated nucleic acid amplification with exceptional integration capabilities...
November 16, 2017: Sensors
https://www.readbyqxmd.com/read/29141823/delayed-lymphocyte-re-population-following-discontinuation-of-dimethyl-fumarate-and-after-switching-to-other-disease-modifying-drug-therapies
#8
Bhupendra O Khatri, Sergey S Tarima, Benjamin Essig, Jean Sesing, Tayo Olapo
BACKGROUND: Dimethyl fumarate (DMF) reduces absolute lymphocyte counts, CD4, and CD8 counts, without significantly affecting total white blood cell counts. However, the recovery rate of these cells after discontinuation of DMF is unknown. The effect of subsequent disease modifying therapies (DMTs) on re-population rate is also unknown. OBJECTIVES: 1. To study the re-population rate of absolute lymphocytes, CD4, and CD8 counts back to baseline after discontinuation of DMF...
November 2017: Multiple Sclerosis and related Disorders
https://www.readbyqxmd.com/read/29139510/crystal-structures-and-magnetic-properties-of-two-series-of-phenoxo-o-bridged-dinuclear-ln2-ln-gd-tb-dy-complexes
#9
Marek Machata, Radovan Herchel, Ivan Nemec, Zdeněk Trávníček
Six dinuclear lanthanide compounds of the formulae [Ln2(3m-L4)2(L2)2(MeOH)2]·6MeOH (Ln = Gd - 1a, Tb - 1b, and Dy - 1c) and [Ln2(3m-L4)2(L2)2(DMF)2] (Ln = Gd - 2a, Tb - 2b, and Dy - 2c; DMF = N,N-dimethylformamide, H23m-L4 = (2-[(E)-(3-metoxysalicylidene)amino]phenol), and HL2 = 1,3-diphenyl-1,3-diketopropane) were prepared and characterized by elemental analysis, FTIR spectroscopy, thermogravimetric measurements, single-crystal X-ray structural analysis, and magnetometry, and Gd2 and Dy2 compounds by ab initio methods as well...
November 15, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29137743/sonochemical-synthesis-of-amide-functionalized-metal-organic-framework-graphene-oxide-nanocomposite-for-the-adsorption-of-methylene-blue-from-aqueous-solution
#10
Mahboobeh Tanhaei, Ali Reza Mahjoub, Vahid Safarifard
Graphene oxide-[Zn2(oba)2(bpfb)]·(DMF)5 metal-organic framework nanocomposite (GO-TMU-23; H2oba=4,4'-oxybisbenzoic acid, bpfb=N,N'-bis-(4-pyridylformamide)-1,4-benzenediamine, DMF=N,N-dimethylformamide) is prepared through a simple and large-scale sonochemical preparation method at room temperature. The obtained nanocomposite is characterized by Field Emission Scanning Electron Microscopy (FE-SEM), powder X-ray diffraction (PXRD) and FT-IR spectroscopy. Additionally, the absorption ability of GO-TMU-23 nanocomposite toward cationic dye methylene blue was also performed...
March 2018: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/29137740/morphology-dependent-sensing-performance-of-dihydro-tetrazine-functionalized-mof-toward-al-iii
#11
Sayed Ali Akbar Razavi, Mohammad Yaser Masoomi, Ali Morsali
A pillared MOF, [Zn(OBA)(H2DPT)0.5].DMF (TMU-34), based on dihydro tetrazine functionalized pillar spacer (H2DPT=3,6-di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine) and V-shape dicarboxylate linker (H2OBA=4,4'-oxybis(benzoic acid)) was synthesized by reflux and ultrasonic methods. The effects of sonication time, initial concentration of reagents and sonication power on size and morphology have been optimized. This MOF has been characterized by scanning electron microscopy, FT-IR spectra, X-ray powder diffraction and N2 adsorption at 77K...
March 2018: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/29135260/copper-catalyzed-alkenylation-of-cyanamides
#12
Antoine Nitelet, Johan Wouters, Damien F Dewez, Gwilherm Evano
An efficient procedure for the copper-catalyzed cross-coupling between a broad range of cyanamides and iodoalkenes is reported. Upon reaction with catalytic amounts of copper(I) iodide and 2,2'-bisimidazole in the presence of cesium carbonate in DMF at 80 °C, a fast, regioselective, and stereoretentive cross-coupling occurs. This reaction, which was found to have a broad substrate scope, provides the first general entry to N-alkenylcyanamides, building blocks that hold great synthetic potential.
November 14, 2017: Organic Letters
https://www.readbyqxmd.com/read/29134811/synthetic-utility-of-arylmethylsulfones-annulative-%C3%AF-extension-of-aromatics-and-hetero-aromatics-involving-pd-0-catalyzed-heck-coupling-reactions
#13
Elumalai Sankar, Potharaju Raju, Jayachandran Karunakaran, Arasambattu Kannan Mohanakrishnan
A straightforward and general method for synthesis of annulated thiophene, dibenzothiophene and carbazoles analogues have been achieved involving alkylation of 2-bromo-1-(phenylsulfonylmethyl)arene/heteroarene with arylmethylbromides/heteroarylmethylbromides using t-BuOK as a base in DMF followed by Pd(0)-mediated intramolecular Heck coupling in the presence of K2CO3 in DMF at 80-140 degrees C. The attractive feature of this protocol is that a wide variety of π-conjugated heterocycles could be readily accessed by an appropriate choice of arylmethyl sulfones and benzylic bromides...
November 14, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/29134795/robust-and-recyclable-substrate-template-with-ultrathin-nanoporous-counter-electrode-for-organic-hole-conductor-free-monolithic-perovskite-solar-cells
#14
Ming-Hsien Li, Yu-Syuan Yang, Kuo-Chin Wang, Yu-Hsien Chiang, Po-Shen Shen, Wei-Chih Lai, Tzung-Fang Guo, Peter Chen
A robust and recyclable monolithic substrate applying all-inorganic metal-oxide selective contact with nanoporous (np) Au:NiOx counter electrode is successfully demonstrated for efficient perovskite solar cells, of which the perovskite active layer is deposited in the final step for device fabrication. Through annealing of the Ni/Au bilayer, the nanoporous NiO/Au electrode is formed in virtue of interconnected Au network embedded in oxidized Ni. By optimizing the annealing parameters and tuning the mesoscopic layer thickness (mp-TiO2 and mp-Al2O3), a decent PCE of 10...
November 14, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29134080/dichlorobenzene-an-effective-solvent-for-epoxy-graphene-nanocomposites-preparation
#15
Jiacheng Wei, Mohd Shahneel Saharudin, Thuc Vo, Fawad Inam
It is generally recognized that dimethylformamide (DMF) and ethanol are good media to uniformly disperse graphene, and therefore have been used widely in the preparation of epoxy/graphene nanocomposites. However, as a solvent to disperse graphene, dichlorobenzene (DCB) has not been fully realized by the polymer community. Owing to high values of the dispersion component (δd) of the Hildebrand solubility parameter, DCB is considered as a suitable solvent for homogeneous graphene dispersion. Therefore, epoxy/graphene nanocomposites have been prepared for the first time with DCB as a dispersant; DMF and ethanol have been chosen as the reference...
October 2017: Royal Society Open Science
https://www.readbyqxmd.com/read/29133038/new-metalo-therapeutics-of-nsaids-against-human-breast-cancer-cells
#16
Christina N Banti, Constantina Papatriantafyllopoulou, Anastasios J Tasiopoulos, Sotiris K Hadjikakou
The non steroidal anti-inflammatory drugs (NSAID's)-silver(I) metallodrugs of aspirin (aspH), salicylic acid (salH2), naproxen (napH) acid or p-hydrobenzoic acid (pHbzaH) and the mitochondriotropic triphenylarsine (tpAs) with the formulae [Ag(asp)(tpAs)3] (1), [Ag(salH)(tpAs)3] (2), [Ag(nap)(tpAs)3] (3) and {[Ag(pHbza)(tpAs)3]∙(dmf)} (4) and [Ag(tpAs)3(NO3)] (5) have been synthesized and characterized by m.p., FT-IR, UV-vis and (1)H NMR, spectroscopic techniques and X-ray crystallography. The in vitro cytotoxic activity of 1-5 against human breast adenocarcinoma cancer cells: MCF-7 (positive to estrogen receptors (ERs)) and MDA-MB-231 (negative to estrogen receptors (ERs)) was evaluated...
November 10, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29132069/risk-factors-for-tooth-loss-in-middle-and-older-age-after-up-to-10-years-an-observational-cohort-study
#17
Alexander Jochen Hassel, Volkan Safaltin, Sabine Grill, Johannes Schröder, Hans-Werner Wahl, Anna-Luisa Klotz, Edriss Habibi, Peter Rammelsberg, Andreas Zenthöfer
OBJECTIVE: The objective of this research was to identify risk factors for tooth loss in two birth cohorts, quinquagenarians and septuagenarians, after up to 10 years of clinical observation. DESIGN: One hundred and twenty-three participants were recruited from the Interdisciplinary Study of Adult Development (ILSE) and examined at baseline and up to 10 years after. Thirty-nine and 84 participants belonged to the older (OC; born in 1930/32) cohort and younger (YC; born in 1950/52) cohort, respectively...
November 6, 2017: Archives of Oral Biology
https://www.readbyqxmd.com/read/29128972/persistence-with-dimethyl-fumarate-in-relapsing-remitting-multiple-sclerosis-a-population-based-cohort-study
#18
Irene Eriksson, Thomas Cars, Fredrik Piehl, Rickard E Malmström, Björn Wettermark, Mia von Euler
PURPOSE: To describe patients initiating dimethyl fumarate (DMF) and measure persistence with DMF, discontinuation, and switching in treatment-naïve DMF patients and patients switching to DMF from other multiple sclerosis disease-modifying treatments (DMTs). METHODS: A population-based cohort study of all Stockholm County residents initiating DMF from 9 May 2014 until 31 May 2017. All data were derived from a regional database that collects individual-level data on healthcare and drug utilization of all residents...
November 11, 2017: European Journal of Clinical Pharmacology
https://www.readbyqxmd.com/read/29124567/dimethyl-fumarate-modulates-oxidative-stress-and-inflammation-in-organs-after-sepsis-in-rats
#19
Amanda Della Giustina, Sandra Bonfante, Graciela Freitas Zarbato, Lucinéia Gainski Danielski, Khiany Mathias, Aloir Neri de Oliveira, Leandro Garbossa, Taise Cardoso, Maria Eduarda Fileti, Raquel Jaconi De Carli, Mariana Pereira Goldim, Tatiana Barichello, Fabricia Petronilho
Sepsis is defined as life-threatening organ dysfunction induced by a disrupted host response to infecting pathogens. Evidences suggest that oxidative stress is intrinsically related to sepsis progression. Dimethyl fumarate (DMF) is a novel oral therapeutic agent with anti-oxidant properties which exerts protective effects through activation of nuclear factor erythroid 2 (NFE2)-related factor 2 (Nrf2). Thus, the aim of this study is to evaluate the effect of DMF in different organs of rats submitted to an animal model of sepsis...
November 9, 2017: Inflammation
https://www.readbyqxmd.com/read/29124305/dummy-surface-molecularly-imprinted-polymers-as-a-sorbent-of-micro-solid-phase-extraction-combined-with-dispersive-liquid-liquid-microextraction-for-determination-of-five-2-phenylpropionic-acid-nsaids-in-aquatic-environmental-samples
#20
Ping Guo, Xucan Yuan, Jingjing Zhang, Binjie Wang, Xiaoyang Sun, Xiaohui Chen, Longshan Zhao
A highly binding dummy template surface of molecularly imprinted polymers (MWNTs-MIPs) was synthesized on multi-walled carbon nanotubes surface using 2-phenylpropionic acid as dummy template, 4-vinylpyridine as the functional monomer, ethylene glycol dimethacrylate as the cross-linker, and DMF as porogen by precipitation polymerization method. MIPs were characterized by FT-IR spectroscopy, scanning electron microscope, thermo-gravimetric analysis, and nitrogen adsorption-desorption experiment. Adsorption and selectivity experiments of MIPs and non-imprinted polymers (NIPs) verified that the MIPs had a good selectivity and adsorption properties for five 2-phenylpropionic acid nonsteroidal anti-inflammatory drugs (NSAIDs)...
November 9, 2017: Analytical and Bioanalytical Chemistry
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