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Sample records for dimethylpropane 2,2

  1. Fragrance material review on 1-(2,4-dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one.

    Science.gov (United States)

    Scognamiglio, J; Letizia, C S; Api, A M

    2013-12-01

    A toxicologic and dermatologic review of 1-(2,4-dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one when used as a fragrance ingredient is presented. 1-(2,4-Dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-(2,4-dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, sensitization, and genotoxicity data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al. (Belsito, D., Bickers, D., Bruze, M., Calow, P., Dagli, M., Fryer, A.D., Greim, H., Miyachi, Y., Saurat, J.H., Sipes, I.G., 2013. A Toxicologic and Dermatologic Assessment of Alkyl Cyclic Ketones When Used as Fragrance Ingredients (submitted for publication)) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances. Copyright © 2013 Elsevier Ltd. All rights reserved.

  2. {4,4′,6,6′-Tetraiodo-2,2′-[(2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene]diphenolato}nickel(II

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2012-07-01

    Full Text Available The asymmetric unit of the title compound, [Ni(C19H16I4N2O2], comprises half of a Schiff base complex. The NiII atom is located on a twofold rotation axis which also bisects the central C atom of the 2,2-dimethylpropane group of the ligand. The geometry around the NiII atom is distorted square-planar, with a dihedral angle of 21.7 (3° between the symmetry-related N/Ni/O coordination planes. The dihedral angle between the symmetry-related benzene rings is 27.9 (3°. In the crystal, short intermolecular I...I [3.8178 (9 and 3.9013 (10 Å] interactions are present.

  3. Extraction of ultra-traces of lead, chromium and copper using ruthenium nanoparticles loaded on activated carbon and modified with N,N-bis-(α-methylsalicylidene)-2,2-dimethylpropane-1,3-diamine

    International Nuclear Information System (INIS)

    Barfi, Behruz; Rajabi, Maryam; Zadeh, Mahboubeh Morshedi; Ghaedi, Mehrorang; Salavati-Niasari, Masoud; Sahraei, Reza

    2015-01-01

    We describe a novel adsorbent for effective extraction of lead(II), chromium(III) and copper(II). It consists of ruthenium nanoparticles loaded on activated carbon that were modified with N,N-bis-(α-methylsalicylidene)-2,2-dimethylpropane-1,3-diamine. The sorbent was applied to solid-phase extraction combined with ionic-liquid based dispersive liquid-liquid microextraction method. The effects of parameters such as amounts of adsorbent, type and volume of elution solvent, type and volume of extraction and dispersing solvents, etc. were evaluated. The ions were then quantified by flame atomic absorption spectrometry. Under the best conditions, limits of detection, linear dynamic ranges and enrichment factors for these ions ranged from 0.02 to 0.09 μg L −1 , 0.08 to 45 μg L −1 and 328 to 356, respectively. The results showed that the method, in addition to its sensitivity, selectivity and good enrichment factor, is simple and efficient. It was applied to the determination of the three ions in blood plasma, food (broccoli, coriander and spinach), and in (spiked) samples of tap, spring and river water. (author)

  4. Bis{(E-3-[2-(hydroxyiminopropanamido]-2,2-dimethylpropan-1-aminium} bis[μ-(E-N-(3-amino-2,2-dimethylpropyl-2-(hydroxyiminopropanamido(2−]bis{[(E-N-(3-amino-2,2-dimethylpropyl-2-(hydroxyiminopropanamide]copper(II} bis((E-{3-[2-(hydroxyiminopropanamido]-2,2-dimethylpropyl}carbamate acetonitrile disolvate

    Directory of Open Access Journals (Sweden)

    Andrii I. Buvailo

    2012-12-01

    Full Text Available The reaction between copper(II nitrate and (E-N-(3-amino-2,2-dimethylpropyl-2-(hydroxyiminopropanamide led to the formation of the dinuclear centrosymmetric copper(II title complex, (C8H18N3O22[Cu2(C8H15N3O22(C8H17N3O22](C9H16N3O42·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O22(C8H17N3O22] complex fragment. The Cu2+ ions are connected by two N—O bridging groups [Cu...Cu separation = 4.0608 (5 Å] while the CuII ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex molecule co-crystallizes with two molecules of acetonitrile, two molecules of the protonated ligand (E-3-[2-(hydroxyiminopropanamido]-2,2-dimethylpropan-1-aminium and two negatively charged (E-{3-[2-(hydroxyiminopropanamido]-2,2-dimethylpropyl}carbamate anions, which were probably formed as a result of condensation between (E-N-(3-amino-2,2-dimethylpropyl-2-(hydroxyiminopropanamide and hydrogencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O22(C8H17N3O22] and the ion pair C8H18N3O2+.C9H16N3O4− are connected via an extended system of hydrogen bonds.

  5. Characterization of Schiff bases derived from 3,4-dimethoxybenzaldehyde: the crystal structure of n,n′-bis(3,4-dimethoxybenzylidene)-2,2-dimethylpropane-1,3-diamine hydrate

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Foroghnia, A.; Fejfarová, Karla; Dušek, Michal

    2013-01-01

    Roč. 54, č. 4 (2013), s. 774-778 ISSN 0022-4766 Institutional research plan: CEZ:AV0Z10100521 Keywords : diimine * Schiff base * spectroscopy * single crystal X-ray diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.501, year: 2013

  6. Enatioselective[2+2+2] Cycloaddition as A Synthetic Tool

    Institute of Scientific and Technical Information of China (English)

    T.Shibata; S.Yoshida; M.Otsuka; Y.Arai; K.Endo

    2007-01-01

    1 Results Transition metal-catalyzed [2+2+2] cycloaddition is one of the most efficient protocols for the construction of six-membered ring system.Our group has comprehensively studied various types of highly enantioselective [2+2+2] cycloaddition for the synthesis of chiral cycloadducts; we already reported an iridium-catalyzed intermolecular [2+2+2] cycloaddition between α,ω-diynes,having various tethers and substituents on the alkyne termini,and monoalkynes,possessing oxygen or/and nitrogen functiona...

  7. Nitrogen heteroaromatic cations by [2+2+2] cycloaddition

    Czech Academy of Sciences Publication Activity Database

    Čížková, Martina; Kolivoška, Viliam; Císařová, I.; Šaman, David; Pospíšil, Lubomír; Teplý, Filip

    2011-01-01

    Roč. 9, č. 2 (2011), s. 450-462 ISSN 1477-0520 R&D Projects: GA ČR GA203/09/1614; GA ČR GA203/09/0705; GA MŠk OC 140 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503 Keywords : modular synthesis * N-heteroaromatic cation * [2+2+2] cycloaddition Subject RIV: CC - Organic Chemistry Impact factor: 3.696, year: 2011

  8. JEF-2.2 radioactive decay data

    International Nuclear Information System (INIS)

    1994-08-01

    This work deals with the JEF-2.2 radioactive decay data and is divided into four tables. The first table presents the origin of the JEF-2.2 radioactive decay data and subsequent modifications. The second one is a summary of the JEF-2.2 radioactive decay data file. The third one describes the JEF-2.2 fission products and the main decay and fission yield data. The last one consists of the main decay parameters from the JEF-2.2, ENDF/B-VI and JNDC-2.0 libraries. (O.L.). 100 figs., 4 tabs

  9. 1-Methoxy-3-o-tolylbicyclo[2.2.2]oct-5-ene-2,2-dicarbonitrile

    Directory of Open Access Journals (Sweden)

    Orhan Büyükgüngör

    2009-09-01

    Full Text Available In the title compound, C18H18N2O, the cyclohexene and cyclohexane rings of the bicyclo[2.2.2]oct-5-ene unit adopt distorted boat conformations. In the crystal, molecules exist as C—H...N hydrogen-bonded centrosymmetric R22(14 dimers, which are further linked by C—H...π interactions.

  10. 36 CFR 2.2 - Wildlife protection.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Wildlife protection. 2.2... PROTECTION, PUBLIC USE AND RECREATION § 2.2 Wildlife protection. (a) The following are prohibited: (1) The taking of wildlife, except by authorized hunting and trapping activities conducted in accordance with...

  11. Monte Carlo simulation of semiconductor detector response to "2"2"2Rn and "2"2"0Rn environments

    International Nuclear Information System (INIS)

    Irlinger, J.; Trinkl, S.; Wielunksi, M.; Tschiersch, J.; Rühm, W.

    2016-01-01

    A new electronic radon/thoron monitor employing semiconductor detectors based on a passive diffusion chamber design has been recently developed at the Helmholtz Zentrum München (HMGU). This device allows for acquisition of alpha particle energy spectra, in order to distinguish alpha particles originating from radon and radon progeny decays, as well as those originating from thoron and its progeny decays. A Monte-Carlo application is described which uses the Geant4 toolkit to simulate these alpha particle spectra. Reasonable agreement between measured and simulated spectra were obtained for both "2"2"0Rn and "2"2"2Rn, in the energy range between 1 and 10 MeV. Measured calibration factors could be reproduced by the simulation, given the uncertainties involved in the measurement and simulation. The simulated alpha particle spectra can now be used to interpret spectra measured in mixed radon/thoron atmospheres. The results agreed well with measurements performed in both radon and thoron gas environments. It is concluded that the developed simulation allows for an accurate prediction of calibration factors and alpha particle energy spectra. - Highlights: • A method was developed to simulate alpha particle spectra from radon/thoron decay. • New monitor features alpha-particle-spectroscopy based on silicon detectors. • A method is presented to quantify radon/thoron concentrations in mixed atmospheres. • The calibration factor can be simulated for various environmental parameters.

  12. (Vapour + liquid) equilibria for (2,2-dimethoxypropane + methanol) and (2,2-dimethoxypropane + acetone)

    International Nuclear Information System (INIS)

    Jiang Hui; Li Haoran; Wang Congmin; Tan Taijun; Han Shijun

    2003-01-01

    The isothermal and isobaric (vapour + liquid) equilibria for (2,2-dimethoxypropane + methanol) and (2,2-dimethoxypropane + acetone) measured with an inclined ebulliometer are presented. The experimental results are analysed using the UNIQUAC equation with the temperature-dependent binary parameters with satisfactory results. Isobaric (vapour + liquid) equilibria data for these systems at p=99.99 kPa are compared with the literature data. Experimental vapour pressure of 2,2-dimethoxypropane are also included

  13. Isotopic effect in the hydration reactions of 2, 2, 2 - trichloro - 1 - arylethanones

    International Nuclear Information System (INIS)

    Marconi, D.O.M.; Zucco, C.; Tanaka, A.S.; Nome, F.

    1985-01-01

    The equilibrium constants and rate constants for hydration and de-hydration of 2, 2, 2 - trichloro - 1 - arylethanones in tetrahydrofurane (THF) / H 2 O - D 2 O e THF/H 2 O using the proton inventory technique involved in the transition state are studied. (M.J.C.) [pt

  14. Gl(2/2)-oscillators and Gl(2/2)-dynamical symmetry

    International Nuclear Information System (INIS)

    Kamupingene, A.H.; Nguyen Anh Ky.

    1991-07-01

    Extending the concept of the dynamical symmetry, we identify the Lie superalgebra Gl(2/2) as a dynamical (super-)algebra of a class of non-canonical quantum systems, whose dynamical variables and quantities can be realized in terms of the Gl(2/2)-generators. In this way, a new class of harmonic oscillators is established. As a consequence of the choice of the dynamical variables the Heisenberg algebra and the Hermitian condition for the Gl(2/2)-representations are also given. (author). 12 refs

  15. Fascinating interaction of the ammonium cation with [2.2.2]paracyclophane: experimental and theoretical study

    Science.gov (United States)

    Makrlík, Emanuel; Sýkora, David; Böhm, Stanislav; Kvíčalová, Magdalena; Vaňura, Petr

    2018-05-01

    By means of electrospray ionisation mass spectrometry, it was evidenced experimentally that the ammonium cation (NH4+) reacts with the electroneutral [2.2.2]paracyclophane ligand (C24H24) to form the cationic complex [NH4(C24H24)]+. Moreover, applying quantum chemical calculations, the most probable conformation of the proven [NH4(C24H24)]+ complex was solved. In the complex [NH4(C24H24)]+ having a symmetry very close to C3, the 'central' cation NH4+ is coordinated by three strong bifurcated intramolecular hydrogen bonds to the corresponding six carbon atoms from the three benzene rings of [2.2.2]paracyclophane via cation-π interaction. Finally, the interaction energy, E(int), of the considered complex [NH4(C24H24)]+ was evaluated as -625.8 kJ/mol, confirming the formation of this fascinating complex species as well. It means that the [2.2.2]paracyclophane ligand can be considered as an effective receptor for the ammonium cation in the gas phase.

  16. Selected Thermophysical Properties of 2,2 Dimethylcyclopentyl Methylphosphonofluoridate (GP) and 2,2 Dimethylcyclopentanol (DMCP)

    Science.gov (United States)

    2016-09-01

    chromatography using a thermal conductivity detector (GC-TCD). Table 1. Sample Information for GP and DMCP Chemical Name Mole Fraction Purity...Proving Ground, MD, 1983; UNCLASSIFIED Report (ADC033491). 23. Weast, R.C. CRC Handbook of Chemistry and Physics, 53rd ed.; CRC Press: Boca Raton, FL...gas chromatography GD pinacolyl methylphosphonofluoridate GF cyclohexyl methylphosphonofluoridate GP 2,2-dimethylcyclopentyl

  17. Crystal structure of l-leucyl-l-isoleucine 2,2,2-trifluoroethanol monosolvate

    Directory of Open Access Journals (Sweden)

    Carl Henrik Görbitz

    2016-05-01

    Full Text Available Hydrophobic dipeptides with either l-Leu or l-Phe constitute a rather heterogeneous group of crystal structures. Some form materials with large water-filled channels, but there is also a pronounced tendency to incorporate organic solvent molecules, which then act as acceptors for one of the three H atoms of the charged N-terminal amino group. l-Leu-l-Ile has uniquely been obtained as two distinct hydrates, but has so far failed to co-crystallize with a simple alcohol. The present structure of C12H24N2O3·CF3CH2OH, which crystallizes with two dipeptide and two solvent molecules in the asymmetric unit, demonstrates that when 2,2,2-trifluoroethanol is used as a solvent, its high capacity as a hydrogen-bond donor leads to formation of an alcohol solvate.

  18. The cobalt-mediated [2+2+2]cycloaddition of thiophenes and benzofurans to alkynes

    Energy Technology Data Exchange (ETDEWEB)

    Malaska, M.J.

    1991-01-01

    The cobalt-mediated [2+2+2]cycloaddition of thiophenes and benzofurans to alkynes was investigated. The cocyclization of 2-propynyloxymethylthiophenes provided two types of cyclohexadiene complexes. It was found that one of these complexes could be converted to the other by a thermal rearrangement. This novel transformation was investigated by deuterium-labelling and kinetic studies, and a mechanism was proposed. The complexes could be oxidatively demetallated to provide the liberated organic framework. Further reorganization of these dienes were observed during the decomplexation process and in the presence of CpCo(C[sub 2]H[sub 4])[sub 2]. In this manner several new heterocyclic ring systems could be constructed from 2-substituted thiophenes. Following the success of the thiophene cyclizations, the cocyclization of the benzofuran nucleus was examined. Reagents and conditions were developed that provide an efficient synthesis of alkynols from carboxylic acids; other functional group interconversions of the alkynols were briefly studied. The synthesis and cyclization of 1-[7-methoxy-4-benzofuranyl]-3-butyn-2-ol produced a cobalt complex containing the A,B,C, and D rings of the morphine skeleton. A synthetic advantage of this methodology would be the ease of substitution at pharmaco-logically relevant C-6 and C-7 positions of the morphine framework. Synthetic routes using a cobalt cyclization strategy were proposed.

  19. User Manual for the NASA Glenn Ice Accretion Code LEWICE. Version 2.2.2

    Science.gov (United States)

    Wright, William B.

    2002-01-01

    A research project is underway at NASA Glenn to produce a computer code which can accurately predict ice growth under a wide range of meteorological conditions for any aircraft surface. This report will present a description of the code inputs and outputs from version 2.2.2 of this code, which is called LEWICE. This version differs from release 2.0 due to the addition of advanced thermal analysis capabilities for de-icing and anti-icing applications using electrothermal heaters or bleed air applications. An extensive effort was also undertaken to compare the results against the database of electrothermal results which have been generated in the NASA Glenn Icing Research Tunnel (IRT) as was performed for the validation effort for version 2.0. This report will primarily describe the features of the software related to the use of the program. Appendix A of this report has been included to list some of the inner workings of the software or the physical models used. This information is also available in the form of several unpublished documents internal to NASA. This report is intended as a replacement for all previous user manuals of LEWICE. In addition to describing the changes and improvements made for this version, information from previous manuals may be duplicated so that the user will not need to consult previous manuals to use this code.

  20. On osp(2|2) conformal field theories

    International Nuclear Information System (INIS)

    Ding Xiangmao; Gould, Mark D; Mewton, Courtney J; Zhang Yaozhong

    2003-01-01

    We study the conformal field theories corresponding to current superalgebras osp(2|2) (1) k and osp(2|2) (2) k . We construct the free field realizations, screen currents and primary fields of these current superalgebras at general level k. All the results for osp(2|2) (2) k are new, and the results for the primary fields of osp(2|2) (1) k also seem to be new. Our results are expected to be useful in the supersymmetric approach to Gaussian disordered systems such as the random bond Ising model and the Dirac model

  1. Unusual Conformational Aspects of Some Novel Chiral Non-Racemic Pyridinyl-2-phosphonates

    NARCIS (Netherlands)

    Dros, A.C.; Zijlstra, R.W.J.; Duijnen, P.Th. van; Spek, A.L.; Kooijman, H.; Kellogg, R.M.

    1998-01-01

    Reaction of pyridinyl-2-phosphonyl dichloride (6) with 1-phenyl-2,2-dimethylpropane-1,3-diol (9) leads to the two epimeric 2-oxo-2-(2-pyridinyl)-4-phenyl-5,5-dimethyl-1,3,2-dioxaphosphorinanes (10a,b). These can be separated and the stereochemistry assigned on the basis of 31P NMR spectroscopy. For

  2. Synthesis and Transformations of di-endo-3-Aminobicyclo-[2.2.2]oct-5-ene-2-carboxylic Acid Derivatives

    Directory of Open Access Journals (Sweden)

    Márta Palkó

    2011-09-01

    Full Text Available all-endo-3-amino-5-hydroxybicyclo[2.2.2]octane-2-carboxylic acid (13 and all-endo-5-amino-6-(hydroxymethylbicyclo[2.2.2]octan-2-ol (10 were prepared via dihydro-1,3-oxazine or g-lactone intermediates by the stereoselective functionalization of an N-protected derivative of endo-3-aminobicyclo[2.2.2]oct-5-ene-2-carboxylic acid (2. Ring closure of b-amino ester 4 resulted in tricyclic pyrimidinones 15 and 16. The structures, stereochemistry and relative configurations of the synthesized compounds were determined by IR and NMR.

  3. 45 CFR 1220.2-2 - Part-time volunteers.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 4 2010-10-01 2010-10-01 false Part-time volunteers. 1220.2-2 Section 1220.2-2... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Criminal Proceedings § 1220.2-2 Part-time volunteers. (a) With respect to a part-time volunteer, ACTION will reimburse a sponsor for the reasonable expenses it incurs...

  4. 39 CFR 2.2 - Agent for receipt of process.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Agent for receipt of process. 2.2 Section 2.2 Postal Service UNITED STATES POSTAL SERVICE THE BOARD OF GOVERNORS OF THE U.S. POSTAL SERVICE GENERAL AND TECHNICAL PROVISIONS (ARTICLE II) § 2.2 Agent for receipt of process. The General Counsel of the Postal...

  5. Neuroprotective 2-(2-phenylethyl)chromones of Imperata cylindrica.

    Science.gov (United States)

    Yoon, Jeong Seon; Lee, Mi Kyeong; Sung, Sang Hyun; Kim, Young Choong

    2006-02-01

    Bioactivity-guided fractionation of the methanolic extract of the rhizomes of Imperata cylindrica afforded a new compound, 5-hydroxy-2-(2-phenylethyl)chromone (1), together with three known compounds, 5-hydroxy-2-[2-(2-hydroxyphenyl)ethyl]chromone (2), flidersiachromone (3), and 5-hydroxy-2-styrylchromone (4). Among these four compounds, 1 and 2 showed significant neuroprotective activity against glutamate-induced neurotoxicity in primary cultures of rat cortical cells.

  6. Cryptand [2.2.2]quantitation in the synthesis of 2-[fluorine-18]fluoro-2-deoxy-d-glucose

    International Nuclear Information System (INIS)

    Kothari, P.J.; Ginos, J.; Finn, R.D.; Larson, S.M.; Link, J.M.; Krohn, K.A.; Garmestani, K.

    1992-01-01

    Most automated synthetic devices for the preparation of [ 18 F]2-fluoro-2-deoxy-D-glucose ([ 18 F]FDG) employ cryptand [2.2.2](4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo(8.8.8)-hexacosane) to facilitate the 18 F displacement reaction. Lack of simple spectroscopic and/or chromatographic determinations for cryptands prompted our investigation with tritiated [2.2.2] cryptand reagent to determine the absolute concentration of this reagent throughout the synthetic procedure leading to the final formulation. The concentration of cryptand [2.2.2] in the final formulation has been determined to range from 0.39 μg/ml to 0.60 μg/ml which is well below the detection limit by a method recently reported. (author) 1 fig., 1 tab., 5 refs

  7. Indoor "2"2"2Rn concentration in the exhibition and storage rooms of Polish geological museums

    International Nuclear Information System (INIS)

    Długosz-Lisiecka, Magdalena; Krystek, Marcin; Raczyński, Paweł; Głuszek, Ewa; Kietlińska-Michalik, Barbara; Niechwedowicz, Mariusz

    2017-01-01

    The radon exhaled from radioactive mineral collections exhibited in five Polish geological museums may influence its total indoor concentration. Radon concentrations measured in the exhibition halls do not pose a risk for visitors or museum staff. However, air exceeding the action limit for workers (equal to 300 Bq/m"3) was noted in the storage rooms of two museums. Significant"2"2"2Rn activity concentrations equal to more than ~300 kBq/m"3were measured inside lead containers where radioactive minerals were stored. - Highlights: • In this "2"2"2Rn radionuclide measurements in 5 Polish geological museums have been done. • The review of "2"2"2Rn activity in the air in areas containing radioactive geological collections is not a routine protocol, and is not included in the national radon monitoring program. • Therefore the radiological exposure for museum staff resulting from inhalation of gaseous radon and its products has been including.

  8. Cation-π interaction of the univalent sodium cation with [2.2.2]paracyclophane: Experimental and theoretical study

    Science.gov (United States)

    Makrlík, Emanuel; Sýkora, David; Böhm, Stanislav; Vaňura, Petr

    2018-02-01

    By employing electrospray ionization mass spectrometry (ESI-MS), it was proven experimentally that the univalent sodium cation (Na+) forms with [2.2.2]paracyclophane (C24H24) the cationic complex [Na(C24H24)]+. Further, applying quantum chemical DFT calculations, the most probable structure of the [Na(C24H24)]+ complex was derived. In the resulting complex with a symmetry very close to C3, the "central" cation Na+, fully located in the cavity of the parent [2.2.2]paracyclophane ligand, is bound to all three benzene rings of [2.2.2]paracyclophane via cation-π interaction. Finally, the interaction energy, E(int), of the considered cation-π complex [Na(C24H24)]+ was found to be -267.3 kJ/mol, confirming the formation of this fascinating complex species as well.

  9. Local U(2,2) Symmetry in Relativistic Quantum Mechanics

    OpenAIRE

    Finster, Felix

    1997-01-01

    Local gauge freedom in relativistic quantum mechanics is derived from a measurement principle for space and time. For the Dirac equation, one obtains local U(2,2) gauge transformations acting on the spinor index of the wave functions. This local U(2,2) symmetry allows a unified description of electrodynamics and general relativity as a classical gauge theory.

  10. Local U(2,2) symmetry in relativistic quantum mechanics

    Science.gov (United States)

    Finster, Felix

    1998-12-01

    Local gauge freedom in relativistic quantum mechanics is derived from a measurement principle for space and time. For the Dirac equation, one obtains local U(2,2) gauge transformations acting on the spinor index of the wave functions. This local U(2,2) symmetry allows a unified description of electrodynamics and general relativity as a classical gauge theory.

  11. The 18F-labelled alkylating agent 2,2,2-trifluoroethyl triflate: synthesis and specific activity

    International Nuclear Information System (INIS)

    Johnstroem, P.; Stone-Elander, S.

    1995-01-01

    A method for synthesizing the alkylating agent 2,2,2-trifluoroethyl triflate labelled with [ 18 ]fluoride in the two position is presented. Ethyl [2- 18 )F]-trifluoroacetate was synthesized by the nucleophilic reaction of [ 18 F]F - with ethyl bromodifluoroacetate in DMSO (45-60%, 5 min, 80 o C) and subsequently converted to [2- 18 F]-2,2,2-trifluoroethanol using alane in THF (85-95%, 2 min, 40 o C. Reaction with triflic anhydride in 2,6-lutidine produced [2- 18 F]-2,2,2-trifluoroethyl triflate (70-80%, 1 min, 0 o C. In all three cases the product was removed from the reaction vessel by heating to distil under a stream of nitrogen. [2- 18 F]-2,2,2-Trifluoroethyl triflate was used to label 2-oxoquazepam by N-alkylation in a toulene:DMF mixture (80-85%, 20 min, 120 o C). Although no-carrier-added [ 18 )F]F - was used, considerable unlabelled ethyl trifluoroacetate was produced in the first reaction. Varying the conditions for the fluoro-debromination reaction did not appreciably improve the relative ratio of labelled to unlabelled ester. The specific activity of the labelled 1,4-benzodiazepine-2-one obtained from 1850 MBq [ 18 F]F - was found to be ≅37 MBq/μmol (1mCi/μmol). (Author)

  12. The effect of 2,2,2-trifluoroethanol on water studied by using third derivatives of Gibbs energy, G

    DEFF Research Database (Denmark)

    Ohgi, Hiroyo; Imamura, Hiroshi; Yonenaga, Kazuki

    2016-01-01

    We determined the excess partial molar enthalpy and the excess partial molar volume, HTFEE, VTFEE, of 2,2,2-trifluoroethanol (TFE) in TFE-H2O at 25.0 °C. We then evaluate the TFE-TFE interactions in terms of enthalpy and volume, HTFE-TFEE and VTFE-TFEE, graphically without resorting to any model...

  13. Experimental and theoretical study on cation–π interaction of the univalent thallium cation with [2.2.2]paracyclophane

    Czech Academy of Sciences Publication Activity Database

    Makrlík, E.; Böhm, S.; Sýkora, D.; Klepetářová, B.; Vaňura, P.; Polášek, Miroslav

    2015-01-01

    Roč. 642, DEC 2015 (2015), s. 39-42 ISSN 0009-2614 Grant - others:GA MŠk(CZ) 20/2015 Institutional support: RVO:61388955 Keywords : cation–π interaction * thallium cation * [2.2.2]paracyclophane Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.860, year: 2015

  14. Substituted 2,2'-bipyridines by nickel-catalysis: 4,4'-di-tert-butyl-2,2'-bipyridine.

    Science.gov (United States)

    Buonomo, Joseph A; Everson, Daniel A; Weix, Daniel J

    2013-11-01

    A simple, ligand-free synthesis of the important bipyridyl ligand 4,4'-di- tert -butyl-2,2'-bipyridine is presented. 5,5'-bis(trifluoromethyl)-2,2'-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

  15. Intermolecular rhodium-catalyzed [2 + 2 + 2] carbocyclization reactions of 1,6-enynes with symmetrical and unsymmetrical alkynes†

    Science.gov (United States)

    Andrew Evans, P.; Sawyer, James R.; Lai, Kwong Wah; Huffman, John C.

    2006-01-01

    The crossed intermolecular rhodium-catalyzed [2 + 2 + 2] carbocyclization of carbon and heteroatom tethered 1,6-enynes can be accomplished with symmetrical and unsymmetrical alkynes, to afford the corresponding bicyclohexadienes in an efficient and highly selective manner. PMID:16075089

  16. Specificity of the Spectrophotometry for Detecting Aminopolyether K2.2.2 in 18F-FDG

    Directory of Open Access Journals (Sweden)

    ZHANG Jin-ming

    2015-11-01

    Full Text Available 氨基聚醚(K2.2.2含量是18F-FDG质控中的关键指标,比较了两种常用测量K2.2.2方法的专属性。分别采用分光光度计和半定量TLC 碘显色法测量了14个样品,其中9个阴性样品、2个阳性样品和3个供试品,并与LC-MS/MS测量对比。结果显示:9个阴性样品经分光光度计法测量均为阳性,K2.2.2的测量结果在6.7~470.0 μg/mL;2个阳性样品结果偏高(53,73 μg/mL),3个供试品的K2.2.2含量在14.3~19.2 μg/mL;半定量TLC 碘显色法测量9个阴性样品结果为阴性,2个阳性样品半定量结果与实际一致,3个供试品的K2.2.2含量低于10 μg/mL;LC-MS/MS法测量的14个样品的结果与半定量TLC 碘显色法的结果一致。以上结果表明,半定量TLC 碘显色法测量K2.2.2的专属性较好,适用于测量18F-FDG溶液中K2.2.2含量。

  17. Global Precipitation Climatology Project (GPCP) - Pentad, Version 2.2

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Global Precipitation Climatology Project (GPCP) comprises a total of 27 products. The Version 2.2 Pentad product covers the period January 1979 to the present,...

  18. Reoriention of diprotonated DABCO (1,4-Diazabicyclo[2.2.2]octane) cation and proton transfer in organic ferroelectric adduct DABCO-2(2-Chlorobenzoic acid)

    Science.gov (United States)

    Asaji, Tetsuo

    2018-05-01

    Temperature dependences of 1H NMR as well as 35Cl NQR spin-lattice relaxation times T1 were investigated of a ferroelectric molecular adduct with Tc = 323 K, in which 1,4-diazabicyclo[2.2.2]octane (DABCO) is sandwiched between two 2-chlorobenzoic acid (2-ClBA). The NQR frequencies clearly show that proton transfer from 2-ClBA to DABCO is occurred and the molecular adduct consists of diprotonated DABCO cation and two 2-chlorobenzoate anions. The correlation time of reorientational motion of the diprotonated DABCO molecule was determined as a function of temperature. The activation energy Ea of the motion was estimated as 22 kJ mol-1 below Tc. The steep decrease of the NQR T1 with Ea = 50 kJ mol-1, observed above ca. 280 K in the ferroelectric phase, suggests a slow fluctuation of electric field gradient at chlorine nucleus.

  19. Synthesis and chemical characterization of the novel agronomically relevant pentadentate chelate 2-(2-((2-hydroxybenzyl)amino)ethylamino)-2-(2-hydroxyphenyl)acetic acid (DCHA).

    Science.gov (United States)

    López-Rayo, Sandra; Hernández, Diana; Lucena, Juan J; Escudero, Rosa; Gómez-Gallego, Mar; Sierra, Miguel A

    2010-07-14

    Iron chelates analogous to o,o-EDDHA/Fe(3+) are the fertilizers chosen to treat iron chlorosis in plants growing on calcareous soil. The isomer o,p-EDDHA/Fe(3+) presents less stability but faster assimilation by the plant than o,o-EDDHA/Fe(3+), because only five coordinating groups are able to complex Fe(3+). The new chelating agent 2-(2-((2-hydroxybenzyl)amino)ethylamino)-2-(2-hydroxyphenyl)acetic acid (DCHA) has been synthesized to obtain an iron fertilizer with intermediate stability between o,o-EDDHA/Fe(3+) and o,p-EDDHA/Fe(3+) and with fast assimilation. Its synthesis has been done starting from phenol, N-acetylethylendiamine, glyoxylic acid, and NaOH in a three-step sequence. The purity of the DCHA chelating agent, its protonation, and Ca(2+), Mg(2+), Fe(3+), and Cu(2+) stability constants, together with its ability to maintain iron in solution in different agronomic conditions, have been determined. The results indicate that the chelate DCHA/Fe(3+) has intermediate stability between those of o,o-EDDHA/Fe(3+) and o,p-EDDHA/Fe(3+) complexes and that it is capable of maintaining the Fe(3+) in agronomic conditions. This new chelating agent may be effective in correcting iron chlorosis in plants.

  20. Synthesis and structure of [(NH2)2CSSC(NH2)2]2[OsBr6]Br2 . 3H2O

    International Nuclear Information System (INIS)

    Rudnitskaya, O. V.; Kultyshkina, E. K.; Stash, A. I.; Glukhova, A. A.; Venskovskii, N. U.

    2008-01-01

    The complex [(NH 2 ) 2 CSSC(NH 2 ) 2 ] 2 [OsBr 6 ]Br 2 . 3H 2 O is synthesized by the reaction of K 2 OsBr 6 with thiocarbamide in concentrated HBr and characterized using electronic absorption and IR absorption spectroscopy. Its crystal structure is determined by X-ray diffraction. The crystals are orthorhombic, a = 11.730(2) A, b = 14.052(3) A, c = 16.994(3) A, space group Cmcm, and Z = 4. The [OsBr 6 ] 2- anionic complex has an octahedral structure. The Os-Br distances fall in the range 2.483-2.490 A. The α,α'-dithiobisformamidinium cation is a product of the oxidation of thiocarbamide. The S-S and C-S distances are 2.016 and 1.784 A, respectively. The H 2 O molecules, Br - ions, and NH 2 groups of the cation are linked by hydrogen bonds.

  1. An unusual caffeic acid derived bicyclic [2.2.2] octane lignan and other constituents from Cordia rufescens.

    Science.gov (United States)

    do Vale, Ademir E; David, Jorge M; dos Santos, Edlene O; David, Juceni P; e Silva, Lidercia C R C; Bahia, Marcus V; Brandão, Hugo N

    2012-04-01

    This work reports isolation of an unusual lignan with a bicyclic [2.2.2] octene skeleton, named rufescenolide (1), from stems of Cordia rufescens, along with β-sitosterol, stigmasterol, syringaldehyde, 3-β-O-D-glucopyranosyl-sitosterol, methyl caffeate, 4-methoxy-protocatechuic acid and methyl rosmarinate. Structural characterizations employed IR spectroscopic, ESIHRMS and mono and dimensional NMR spectroscopy. Copyright © 2011 Elsevier Ltd. All rights reserved.

  2. Construction of the irreducibles of B(2, 2)

    International Nuclear Information System (INIS)

    Melas, Evangelos

    2006-01-01

    The ordinary Bondi-Metzner-Sachs (BMS) group B is the common asymptotic symmetry group of all radiating, asymptotically flat, Lorentzian spacetimes. As such, B is the best candidate for the universal symmetry group of general relativity. However, in studying quantum gravity, spacetimes with signatures other than the usual Lorentzian one and complex spacetimes are frequently considered. Generalizations of B appropriate to these other signatures have been defined earlier. In particular, the generalization B(2, 2) appropriate to the ultrahyperbolic signature (+, +, -, -) has been described in detail, and the study of its irreducible unitary representations (IRs) of B(2, 2) has been initiated. The infinite little groups have been given explicitly, but the finite little groups have only been partially described. This study is completed by describing in detail the finite little groups and by giving all the necessary information in order to construct the IRs of B(2, 2) in all cases

  3. Mastering JavaServer Faces 2.2

    CERN Document Server

    Leonard, Anghel

    2014-01-01

    A homogenous guide integrating the features of JSF 2.x (2.0, 2.1 and 2.2), following a "learning through examples" paradigm with its main focus on the advanced concepts of JSF. If you are a web developer who uses JSF, this is the book for you. Catering to an intermediate-advanced audience, the book assumes you have fundamental knowledge of JSF. It is intended for the developer who wants to improve their skills with the combined power of JSF 2.0, 2.1, and 2.2.

  4. Intramolecular ketenimine-ketenimine [2 + 2] and [4 + 2] cycloadditions.

    Science.gov (United States)

    Alajarín, Mateo; Bonillo, Baltasar; Sanchez-Andrada, Pilar; Vidal, Angel; Bautista, Delia

    2007-07-20

    Bis(ketenimines), in which the two heterocumulenic functions are placed in close proximity on a carbon skeleton to allow their mutual interaction, show a rich and not easily predictable chemistry. Intramolecular [2 + 2] or [4 + 2] cycloadditions are, respectively, observed when both ketenimine functions are supported on either ortho-benzylic or 2,2'-biphenylenic scaffolds. In addition, nitrogen-to-carbon [1,3] and [1,5] shifts of arylmethyl groups in N-arylmethyl-C,C-diphenyl ketenimines are also disclosed.

  5. 10 CFR 960.4-2-2 - Geochemistry.

    Science.gov (United States)

    2010-01-01

    ... DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Postclosure Guidelines § 960.4-2-2 Geochemistry. (a) Qualifying condition. The present and... peak cumulative releases of radionuclides to the accessible environment by a factor of 10 as compared...

  6. Molecular and vibrational structure of 2,2'-dihydroxybenzophenone

    DEFF Research Database (Denmark)

    Birklund Andersen, Kristine; Langgård, M.; Spanget-Larsen, Jens

    1999-01-01

    2,2'-dihydroxybenzophenone (DHBP) contains similar bifold intramolecular H-bonding as the psoriatic drug anthralin, but because of steric interference the phenolic rings are twisted in a propeller-like manner, resulting in a molecular structure of C2 symmetry. In contrast to the case of C2v...

  7. Molecular and vibrational structure of 2,2'-dihydroxybenzophenone

    DEFF Research Database (Denmark)

    Birklund Andersen, Kristine; Langgård, M.; Spanget-Larsen, Jens

    1999-01-01

    2,2'-dihydroxybenzophenone (DHBP) contains similar bifold intramolecular H-bonding as the psoriatic drug anthralin, but because of steric interference the phenolic rings are twisted in a propeller-like manner, resulting in a molecular structure of C2 symmetry. In contrast to the case of C2v anthr...

  8. Bis(μ-biphenyl-2,2′-dicarboxylatobis[(2,2′-bipyridinecopper(II

    Directory of Open Access Journals (Sweden)

    Zhe An

    2009-04-01

    Full Text Available The title compound, [Cu2(C14H8O42(C10H8N22], was obtained by solvothermal synthesis. The CuII atom is coordinated by one chelating 2,2′-bipyridine ligand and two carboxyl groups from different biphenyl-2,2′-dicarboxylate ligands, leading to a distorted octahedral environment. Each carboxylate group makes one short Cu—O bond [1.9608 (14 and 1.9701 (14 Å] and one longer Cu—O contact [2.4338 (17 and 2.5541 (17 Å] to each CuII atom. The biphenyl-2,2′-dicarboxylate ligands bridge between CuII atoms, forming a dinuclear complex around a crystallographic inversion centre.

  9. 2,2,2-Trifluoroacetophenone as an organocatalyst for the oxidation of tertiary amines and azines to N-oxides.

    Science.gov (United States)

    Limnios, Dimitris; Kokotos, Christoforos G

    2014-01-07

    A cheap, mild and environmentally friendly oxidation of tertiary amines and azines to the corresponding N-oxides is reported by using polyfluoroalkyl ketones as efficient organocatalysts. 2,2,2-Trifluoroacetophenone was identified as the optimum catalyst for the oxidation of aliphatic tertiary amines and azines. This oxidation is chemoselective and proceeds in high-to-quantitative yields utilizing 10 mol % of the catalyst and H2 O2 as the oxidant. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Selective fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene by nucleotides.

    Science.gov (United States)

    Marquez, Cesar; Pischel, Uwe; Nau, Werner M

    2003-10-16

    [reaction: see text] The fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by nucleotides has been studied. The quenching mechanism was analyzed on the basis of deuterium isotope effects, tendencies for exciplex formation, and the quenching efficiency in the presence of a molecular container (cucurbit[7]uril). Exciplex-induced quenching appears to prevail for adenosine, cytidine, and uridine, while hydrogen abstraction becomes competitive for thymidine and guanosine. Compared to other fluorescent probes, DBO responds very selectively to the type of nucleotide.

  11. N=1 superstring in 2+2 dimensions

    International Nuclear Information System (INIS)

    Khviengia, Z.; Lu, H.; Pope, C.N.; Sezgin, E.; Wang, X.J.; Xu, K.W.

    1995-01-01

    In this paper we construct a (2,2) dimensional string theory with manifest N=1 spacetime supersymmetry. We use Berkovits' approach of augmenting the spacetime supercoordinates by the conjugate momenta for the fermionic variables. The worldsheet symmetry algebra is a twisted and truncated ''small'' N=4 superconformal algebra. The realisation of the symmetry algebra is reducible with an infinite order of reducibility. We study the physical states of the theory by two different methods. In one of them, we identify a subset of irreducible constraints, which is by itself critical. We construct the BRST operator for the irreducible constraints, and study the cohomology and interactions. This method breaks the SO(2,2) spacetime symmetry of the original reducible theory. In another approach, we study the theory in a fully covariant manner, which involves the introduction of infinitely many ghosts for ghosts. ((orig.))

  12. 2,2-Dinitroethene-1,1-Diamine

    Czech Academy of Sciences Publication Activity Database

    Šimková, Ludmila; Liška, F.; Ludvík, Jiří

    2011-01-01

    Roč. 15, č. 17 (2011), s. 2983-2995 ISSN 1385-2728 R&D Projects: GA ČR GAP206/11/0727; GA MŠk ME09002 Institutional research plan: CEZ:AV0Z40400503 Keywords : 1,1-diamino-2,2-dinitroethene * FOX-7 * DADNE Subject RIV: CG - Electrochemistry Impact factor: 3.064, year: 2011

  13. KASS v.2.2. scheduling software for construction

    OpenAIRE

    Krzemiński Michał

    2016-01-01

    The paper presents fourth version of specialist useful software in scheduling KASS v.2.2 (Algorithm Scheduling Krzeminski System). KASS software is designed for construction scheduling, specially form flow shop models. The program is being dedicated closely for the purposes of the construction. In distinguishing to other used programs in tasks of this type operational research criteria were designed closely with the thought about construction works and about the specificity of the building pr...

  14. Hydroxyapatite particles as carriers for "2"2"3Ra

    International Nuclear Information System (INIS)

    Vasiliev, A.N.

    2017-01-01

    Systematic investigation of optimal conditions for preparation and in vitro stability of HAP particles labeled with "2"2"3Ra, that could be considered as promising candidates for targeted α-therapy, has been carried out. Two different approaches to HAP labelling were tested: sorption of Ra"2"+ on pre-synthesized HAP-particles and incorporation of Ra"2"+ into the structure of HAP during its synthesis. Two textural forms of HAP particles were used-nanoparticles and particles with the diameter of 350 ± 20 μm. Kinetics of "2"2"3Ra sorption on HAP of different particle size and desorption in 0.9 % NaCl solution were studied. The influence of solution acidity and solid to liquid phase ratio on sorption of Ra was evaluated and the sorption yield up to 98 % was achieved. It was found that the optimal conditions for the sorption included synthesis of HAP nanoparticles in the presence of "2"2"3Ra at pH values of 4-7 followed by annealing at 900 deg C. In this case subsequent cumulative desorption of Ra was <5 % of initial activity. (author)

  15. Fragrance material review on 2,2-dimethyl-3-phenylpropanol.

    Science.gov (United States)

    Scognamiglio, J; Jones, L; Letizia, C S; Api, A M

    2012-09-01

    A toxicologic and dermatologic review of 2,2-dimethyl-3-phenylpropanol when used as a fragrance ingredient is presented. 2,2-Dimethyl-3-phenylpropanol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a primary alcohol. The AAAs are a structurally diverse class of fragrance ingredients that includes primary, secondary, and tertiary alkyl alcohols covalently bonded to an aryl (Ar) group, which may be either a substituted or unsubstituted benzene ring. The common structural element for the AAA fragrance ingredients is an alcohol group -C-(R1)(R2)OH and generically the AAA fragrances can be represented as an Ar-C-(R1)(R2)OH or Ar-Alkyl-C-(R1)(R2)OH group. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 2,2-dimethyl-3-phenylpropanol were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, phototoxicity, and photoallergy data. A safety assessment of the entire Aryl Alkyl Alcohols will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all Aryl Alkyl Alcohols in fragrances. Copyright © 2011 Elsevier Ltd. All rights reserved.

  16. Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties

    Science.gov (United States)

    Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

    2013-04-01

    The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP).

  17. Determination of residual Kryptofix 2.2.2 levels in [18F]-labeled radiopharmaceuticals for human use

    International Nuclear Information System (INIS)

    Scott, Peter J.H.; Kilbourn, Michael R.

    2007-01-01

    4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane (Kryptofix 2.2.2) is used in the routine preparation of [ 18 F]-labeled tracers employed in positron emission tomography (PET) imaging. Confirming the absence of Kryptofix in radiopharmaceuticals is a quality control criterion required before they can be released for human use. Analysis of Kryptofix levels using the iodoplatinate spot-test can be complicated by false-positive results due to nitrogen containing tracers and/or false-negative results caused by added stabilizers. To overcome this issue, we have developed a universal TLC method for the rapid and reliable determination of Kryptofix levels in the wide range of fluorine-18 radiopharmaceuticals we prepare, including complex multi-component formulations

  18. Crystal structure of bis(1,4-diazabicyclo[2.2.2]octan-1-ium thiosulfate dihydrate

    Directory of Open Access Journals (Sweden)

    Gorgui Awa Seck

    2016-03-01

    Full Text Available The crystal structure of the hydrated title salt, 2C6H13N2+·S2O32−·2H2O, contains a centrosymmetric cyclic motif of eight hydrogen-bonded molecular subunits. Two DABCOH+ cations (DABCO = 1,4-diazabicyclo[2.2.2]octane are linked to two water molecules and two thiosulfate anions via O—H...N and O—H...O hydrogen bonds, respectively. Two other water molecules close the cyclic motif through O—H...O contacts to the first two water molecules and to the two thiosulfate anions. A second pair of DABCOH+ cations is N—H...O hydrogen bonded to the two anions and is pendant to the ring. Adjacent cyclic motifs are bridged into a block-like arrangement extending along [100] through O—H...O interactions involving the second pair of water molecules and neighbouring thiosulfate anions.

  19. 4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1

    Directory of Open Access Journals (Sweden)

    Hadi D. Arman

    2011-11-01

    Full Text Available A 4-aza-1-azoniabicyclo[2.2.2]octane cation, a 2-aminobenzoate anion and a neutral 2-aminobenzoic acid molecule comprise the asymmetric unit of the title compound, C6H13N2+·C7H6NO2−·C7H7NO2. An intramolecular N—H...O hydrogen bond occurs in the anion and in the neutral 2-aminobenzoic acid molecule. The cation provides a charge-assisted N—H...O hydrogen bond to the anion, and the 2-aminobenzoic acid molecule forms an O—H...N hydrogen bond to the unprotonated amino N atom in the cation. In this way, a three-component aggregate is formed. These are connected into a three-dimensional network by amino–carboxylate N—H...O hydrogen bonds. N—H...N hydrogen bonds are also observed.

  20. Comparison of techniques active and passive in measurement of radon concentration ("2"2"2Ra) in the air

    International Nuclear Information System (INIS)

    Oliveira, Evaldo Paulo de

    2017-01-01

    The purpose of this work was to perform a study comparing radon concentration measurements between two techniques used to measure radon gas in the air: one using LEXAN polycarbonate plastic detectors and the other the continuous monitor in AlphaGUARD passive mode. The concentrations of radon gas within radon emanation chambers were measured using calibrated / traceable sources generating "2"2"2Rn through "2"2"6Ra. In calibration the 'calibration factor' or 'sensitivity' was determined for the LEXAN plastic detector. The calibration work of the dosimeters was carried out at the Radon Laboratory of the Environmental Analysis Division - DIRAD IRD/CNEN and at the Natural Radioactivity Laboratory (LRN) of the Center for the Development of Nuclear Technology (CDTN/CNEN). The 'calibration factor' or 'sensitivity' was found to be 32.34 (traits.cm"-"2)/(kBq.d.m"-"3). This factor was used to determine the radon concentration measured by the LEXAN plastic detectors. Also in the calibration, the efficiencies for LEXAN (94.1% ± 9.7%) and AlphaGUARD (92.5% ± 7.2%) were determined. The statistical analysis used showed good parity in the results of the measurements. It was concluded that the results were satisfactory and will serve as a good reference for studies related to the radon air meters used in this work. (author)

  1. (2,2) superconformal bootstrap in two dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Ying-Hsuan [Jefferson Physical Laboratory, Harvard University, Cambridge, MA 02138 (United States); Walter Burke Institute for Theoretical Physics, California Institute of Technology, Pasadena, CA 91125 (United States); Shao, Shu-Heng [Jefferson Physical Laboratory, Harvard University, Cambridge, MA 02138 (United States); School of Natural Sciences, Institute for Advanced Study, Princeton, NJ 08540 (United States); Wang, Yifan [Center for Theoretical Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Joseph Henry Laboratories, Princeton University, Princeton, NJ 08544 (United States); Yin, Xi [Jefferson Physical Laboratory, Harvard University, Cambridge, MA 02138 (United States)

    2017-05-19

    We find a simple relation between two-dimensional BPS N=2 superconformal blocks and bosonic Virasoro conformal blocks, which allows us to analyze the crossing equations for BPS 4-point functions in unitary (2,2) superconformal theories numerically with semidefinite programming. We constrain gaps in the non-BPS spectrum through the operator product expansion of BPS operators, in ways that depend on the moduli of exactly marginal deformations through chiral ring coefficients. In some cases, our bounds on the spectral gaps are observed to be saturated by free theories, by N=2 Liouville theory, and by certain Landau-Ginzburg models.

  2. IRIS Toxicological Review of 2,2',4,4'-Tetrabromodiphenyl ...

    Science.gov (United States)

    The U.S. EPA is conducting a peer review of the scientific basis supporting the human health hazard and dose-response assessments of congeners of polybrominated diphenyl ethers (PDBEs), this review is about 2,2',4,4'-Tetrabromodiphenyl Ether, or commonly referred to as tetraBDE (BDE-47). Following the external peer review this assessment will appear in the Integrated Risk Information System (IRIS) database. Peer review will ensure that science is used credibly and appropriately in derivation of the dose-response assessments and toxicological characterization. EPA is updating the Integrated Risk Information System (IRIS) health assessments for the PBDEs.

  3. Ising versus S U (2) 2 string-net ladder

    Science.gov (United States)

    Vidal, Julien

    2018-03-01

    We consider the string-net model obtained from S U (2) 2 fusion rules. These fusion rules are shared by two different sets of anyon theories. In this paper, we study the competition between the two corresponding non-Abelian quantum phases in the ladder geometry. A detailed symmetry analysis shows that the nontrivial low-energy sector corresponds to the transverse-field cluster model that displays a critical point described by the s o (2) 1 conformal field theory. Other sectors are obtained by freezing spins in this model.

  4. Measurement of "2"2"6Ra and "2"2"8Ra in Brazilian and Israeli Phosphates

    International Nuclear Information System (INIS)

    Ferreira, W.; Canella Avelar, A.; Menezes, M.

    2014-01-01

    Since the 1970s, the IAEA recognizes that phosphoric acid presents an alternate source of uranium, but given the status of both phosphate and uranium markets the potential of recovering uranium from phosphoric acid still marginal. New technologies for the recovery of uranium from phosphoric acid, national and global interests and environment barriers could shape this market in the medium and long-term scenarios. On the other hand, the use of phosphates is the major source of phosphorus in agriculture and livestock. Beyond phosphorus and calcium, phosphate is also source of some hazardous elements, such: arsenic, cadmium, thorium and uranium, including a variety of radioisotopes as well. This radioactivity is sure to be released in the environment, contributing to the background. The risk is not recognized for some of the players in this market, mainly workers who apply phosphate fertilizers in the farmland, in some cases manipulating phosphates with their bare hands, and without any respiratory protection equipment (RPE) as well. This paper deals with the radioactivity from "2"2"6Ra and "2"2"8Ra in four phosphates often used in Brazilian agriculture. Three Brazilian and an Israeli phosphate were analysed and compared with international criteria. The specific activities of "2"2"6Ra (from the uranium decay series) and "2"2"8Ra (from the thorium decay series) were taken into consideration to ensure an adequate risk assessment. Specific activities were determined by high-resolution gamma spectroscopy with germanium detector and Genie® software from Canberra in the Centre of Nuclear Technology Development (CDTN/CNEN). The concentration of "2"2"6Ra was measured using the 186.2 keV energy peak, the concentration of "2"2"8Ra through "2"2"8Ac. The system was calibrated using a set of standard materials from IAEA. The measured samples were crushed and sieved to a grain (98% at least) size as small as 75 μm. Stable mass was achieved grinding, drying at 105°C and mixing

  5. Synthetic Biology Open Language (SBOL Version 2.2.0

    Directory of Open Access Journals (Sweden)

    Cox Robert Sidney

    2018-04-01

    Full Text Available Synthetic biology builds upon the techniques and successes of genetics, molecular biology, and metabolic engineering by applying engineering principles to the design of biological systems. The field still faces substantial challenges, including long development times, high rates of failure, and poor reproducibility. One method to ameliorate these problems would be to improve the exchange of information about designed systems between laboratories. The synthetic biology open language (SBOL has been developed as a standard to support the specification and exchange of biological design information in synthetic biology, filling a need not satisfied by other pre-existing standards. This document details version 2.2.0 of SBOL that builds upon version 2.1.0 published in last year’s JIB special issue. In particular, SBOL 2.2.0 includes improved description and validation rules for genetic design provenance, an extension to support combinatorial genetic designs, a new class to add non-SBOL data as attachments, a new class for genetic design implementations, and a description of a methodology to describe the entire design-build-test-learn cycle within the SBOL data model.

  6. Synthetic Biology Open Language (SBOL) Version 2.2.0

    KAUST Repository

    Cox, Robert Sidney; Madsen, Curtis; McLaughlin, James Alastair; Nguyen, Tramy; Roehner, Nicholas; Bartley, Bryan; Beal, Jacob; Bissell, Michael; Choi, Kiri; Clancy, Kevin; Grunberg, Raik; Macklin, Chris; Misirli, Goksel; Oberortner, Ernst; Pocock, Matthew; Samineni, Meher; Zhang, Michael; Zhang, Zhen; Zundel, Zach; Gennari, John H.; Myers, Chris; Sauro, Herbert; Wipat, Anil

    2018-01-01

    Synthetic biology builds upon the techniques and successes of genetics, molecular biology, and metabolic engineering by applying engineering principles to the design of biological systems. The field still faces substantial challenges, including long development times, high rates of failure, and poor reproducibility. One method to ameliorate these problems would be to improve the exchange of information about designed systems between laboratories. The synthetic biology open language (SBOL) has been developed as a standard to support the specification and exchange of biological design information in synthetic biology, filling a need not satisfied by other pre-existing standards. This document details version 2.2.0 of SBOL that builds upon version 2.1.0 published in last year's JIB special issue. In particular, SBOL 2.2.0 includes improved description and validation rules for genetic design provenance, an extension to support combinatorial genetic designs, a new class to add non-SBOL data as attachments, a new class for genetic design implementations, and a description of a methodology to describe the entire design-build-test-learn cycle within the SBOL data model.

  7. Synthetic Biology Open Language (SBOL) Version 2.2.0.

    Science.gov (United States)

    Cox, Robert Sidney; Madsen, Curtis; McLaughlin, James Alastair; Nguyen, Tramy; Roehner, Nicholas; Bartley, Bryan; Beal, Jacob; Bissell, Michael; Choi, Kiri; Clancy, Kevin; Grünberg, Raik; Macklin, Chris; Misirli, Goksel; Oberortner, Ernst; Pocock, Matthew; Samineni, Meher; Zhang, Michael; Zhang, Zhen; Zundel, Zach; Gennari, John H; Myers, Chris; Sauro, Herbert; Wipat, Anil

    2018-04-02

    Synthetic biology builds upon the techniques and successes of genetics, molecular biology, and metabolic engineering by applying engineering principles to the design of biological systems. The field still faces substantial challenges, including long development times, high rates of failure, and poor reproducibility. One method to ameliorate these problems would be to improve the exchange of information about designed systems between laboratories. The synthetic biology open language (SBOL) has been developed as a standard to support the specification and exchange of biological design information in synthetic biology, filling a need not satisfied by other pre-existing standards. This document details version 2.2.0 of SBOL that builds upon version 2.1.0 published in last year's JIB special issue. In particular, SBOL 2.2.0 includes improved description and validation rules for genetic design provenance, an extension to support combinatorial genetic designs, a new class to add non-SBOL data as attachments, a new class for genetic design implementations, and a description of a methodology to describe the entire design-build-test-learn cycle within the SBOL data model.

  8. Synthetic Biology Open Language (SBOL) Version 2.2.0

    KAUST Repository

    Cox, Robert Sidney

    2018-04-04

    Synthetic biology builds upon the techniques and successes of genetics, molecular biology, and metabolic engineering by applying engineering principles to the design of biological systems. The field still faces substantial challenges, including long development times, high rates of failure, and poor reproducibility. One method to ameliorate these problems would be to improve the exchange of information about designed systems between laboratories. The synthetic biology open language (SBOL) has been developed as a standard to support the specification and exchange of biological design information in synthetic biology, filling a need not satisfied by other pre-existing standards. This document details version 2.2.0 of SBOL that builds upon version 2.1.0 published in last year\\'s JIB special issue. In particular, SBOL 2.2.0 includes improved description and validation rules for genetic design provenance, an extension to support combinatorial genetic designs, a new class to add non-SBOL data as attachments, a new class for genetic design implementations, and a description of a methodology to describe the entire design-build-test-learn cycle within the SBOL data model.

  9. The new 2.2 l Diesel engine from Mazda; Der neue 2,2-l-Dieselmotor von Mazda

    Energy Technology Data Exchange (ETDEWEB)

    Uesugi, Yasunori; Kouzuki, Masashi; Mori, Tsunehiro; Naito, Masahiro; Morinaga, Shinichi; Yasuda, Hiroaki; Yamauchi, Michihiro; Tanimura, Kenji [Mazda Motor Corporation, Hiroshima (Japan); Kunz, Joachim [Mazda Motor Europe, Oberursel (Germany). R and D Centre

    2009-06-15

    Diesel engines for the European market should deliver impressive performance and fuel economy but also high levels of environmental performance, good noise and vibration suppression. With this in mind, Mazda developed a new diesel engine for the launch of the second-generation Mazda 6 with the aim of realising its product philosophy of sustainability combined with a sportive driving experience. The new MZR-CD 2.2 engine will be available for future models like the all-new Mazda 3 as well. (orig.)

  10. Geology - Background complementary studies. Forsmark modelling stage 2.2

    Energy Technology Data Exchange (ETDEWEB)

    Stephens, Michael B. [Geological Survey of Sweden, Uppsala (Sweden); Skagius, Kristina [Kemakta Konsult AB, Stockholm (Sweden)] (eds.)

    2007-09-15

    During Forsmark model stage 2.2, seven complementary geophysical and geological studies were initiated by the geological modelling team, in direct connection with and as a background support to the deterministic modelling of deformation zones. One of these studies involved a field control on the character of two low magnetic lineaments with NNE and NE trends inside the target volume. The interpretation of these lineaments formed one of the late deliveries to SKB that took place after the data freeze for model stage 2.2 and during the initial stage of the modelling work. Six studies involved a revised processing and analysis of reflection seismic, refraction seismic and selected oriented borehole radar data, all of which had been presented earlier in connection with the site investigation programme. A prime aim of all these studies was to provide a better understanding of the geological significance of indirect geophysical data to the geological modelling team. Such essential interpretative work was lacking in the material acquired in connection with the site investigation programme. The results of these background complementary studies are published together in this report. The titles and authors of the seven background complementary studies are presented below. Summaries of the results of each study, with a focus on the implications for the geological modelling of deformation zones, are presented in the master geological report, SKB-R--07-45. The sections in the master report, where reference is made to each background complementary study and where the summaries are placed, are also provided. The individual reports are listed in the order that they are referred to in the master geological report and as they appear in this report. 1. Scan line fracture mapping and magnetic susceptibility measurements across two low magnetic lineaments with NNE and NE trend, Forsmark. Jesper Petersson, Ulf B. Andersson and Johan Berglund. 2. Integrated interpretation of surface and

  11. Geology - Background complementary studies. Forsmark modelling stage 2.2

    International Nuclear Information System (INIS)

    Stephens, Michael B.; Skagius, Kristina

    2007-09-01

    During Forsmark model stage 2.2, seven complementary geophysical and geological studies were initiated by the geological modelling team, in direct connection with and as a background support to the deterministic modelling of deformation zones. One of these studies involved a field control on the character of two low magnetic lineaments with NNE and NE trends inside the target volume. The interpretation of these lineaments formed one of the late deliveries to SKB that took place after the data freeze for model stage 2.2 and during the initial stage of the modelling work. Six studies involved a revised processing and analysis of reflection seismic, refraction seismic and selected oriented borehole radar data, all of which had been presented earlier in connection with the site investigation programme. A prime aim of all these studies was to provide a better understanding of the geological significance of indirect geophysical data to the geological modelling team. Such essential interpretative work was lacking in the material acquired in connection with the site investigation programme. The results of these background complementary studies are published together in this report. The titles and authors of the seven background complementary studies are presented below. Summaries of the results of each study, with a focus on the implications for the geological modelling of deformation zones, are presented in the master geological report, SKB-R--07-45. The sections in the master report, where reference is made to each background complementary study and where the summaries are placed, are also provided. The individual reports are listed in the order that they are referred to in the master geological report and as they appear in this report. 1. Scan line fracture mapping and magnetic susceptibility measurements across two low magnetic lineaments with NNE and NE trend, Forsmark. Jesper Petersson, Ulf B. Andersson and Johan Berglund. 2. Integrated interpretation of surface and

  12. ERRORJ. Covariance processing code. Version 2.2

    International Nuclear Information System (INIS)

    Chiba, Go

    2004-07-01

    ERRORJ is the covariance processing code that can produce covariance data of multi-group cross sections, which are essential for uncertainty analyses of nuclear parameters, such as neutron multiplication factor. The ERRORJ code can process the covariance data of cross sections including resonance parameters, angular and energy distributions of secondary neutrons. Those covariance data cannot be processed by the other covariance processing codes. ERRORJ has been modified and the version 2.2 has been developed. This document describes the modifications and how to use. The main topics of the modifications are as follows. Non-diagonal elements of covariance matrices are calculated in the resonance energy region. Option for high-speed calculation is implemented. Perturbation amount is optimized in a sensitivity calculation. Effect of the resonance self-shielding on covariance of multi-group cross section can be considered. It is possible to read a compact covariance format proposed by N.M. Larson. (author)

  13. The effect of 1,4-diazabicyclo 2.2.2 octane on the radiosensitivity of bacteria

    International Nuclear Information System (INIS)

    Anderson, R.F.; Patel, K.B.

    1978-01-01

    Hydroxyl radicals (OH) are scavenged by 1,4-diazabicyclo[2.2.2]octane (DABCO) at a diffusion-controlled rate of 1.25 +- 0.1 x 10 9 M -1 s -1 . Unlike other efficient OH scavengers which exhibit protection of bacteria against irradiation both in oxic and hypoxic conditions, DABCO has been shown to protect Serratia marcescens and various strains of Escherichia coli only in oxic conditions. DABCO appears to eliminate a component of the sensitization afforded by oxygen in all strains of E. coli tested. The level of this protection increased from approximately 15% in the wild type AB 1157 to approximately 100% in the recA uvrA mutant AB 2480. It is suggested that DABCO protects against lethal events that can occur on macromolecules other than DNA such as the cell membrane. Results with added glycerol, as well as work in D 2 0 solution, indicate that DABCO is more likely to be acting by scavenging radicals rather than by quenching 1 0 2 . If 1 0 2 is a component of the sensitization afforded by oxygen, then it is unlikely to be formed in a hydrophilic environment in the cell. (author)

  14. Fast determination of strontium radionuclides in milk with the aid of the cryptand 2.2.2

    International Nuclear Information System (INIS)

    Tait, D.; Haase, G.; Hartmann, R.

    2004-01-01

    A rapid method for separating strontium (Sr) radionuclides from liquid milk has been improved and tested for the determination of Sr-90 in milk. The method is based on the specific extraction of Sr from the milk with cryptand 2.2.2 on a cation exchange resin (Dowex Marathon C). Decontamination from other radionuclides such as those of caesium and from chemically similar elements such as calcium and barium is efficient. At least 6 samples can be treated in one day by one person. Tests were carried out on series of six 1.0 and 0.10 litre milk samples representing respectively routine milk samples and samples for fast analysis i.e milk contaminated with fresh fallout, including Ba-140, and requiring barium separation. For the 1.0 litre samples Sr recoveries ranged from 75-85% while for 0.10 liter samples the range was 65-80%. Conditions for the use of Sr-85 as yield tracer to correct for the losses were established. The method minimizes the handling of hazardous reagents. (orig.)

  15. Bis(2,2,2-trifluoroethyl) methylphosphonate: An Novel Flame-retardant Additive for Safe Lithium-ion Battery

    International Nuclear Information System (INIS)

    Zeng, Ziqi; Jiang, Xiaoyu; Wu, Binbing; Xiao, Lifen; Ai, Xinping; Yang, Hanxi; Cao, Yuliang

    2014-01-01

    Graphical abstract: - Highlights: • PFMP was synthesized as a flame-retardant additive. • The SET value of the electrolyte containing 20% TFMP shows the reduction of 86%. • The 20% TFMP electrolyte exhibits excellent electrochemical compatibility on the anode and cathode. - Abstract: A novel fluorinated alkyl phosphonate - bis(2,2,2-trifluoroethyl) methylphosphonate (TFMP) were synthesized as flame retardant to reduce the flammability of the electrolyte with minimal impact on the electrochemical performance of the electrode. The flammability and electrochemical properties of TFMP with various contents were evaluated using self-extinguishing time (SET), conductivity test, cyclic voltammetry (CV) and glavanostatic charge and discharge test. The experimental results demonstrated that the addition of 20 vol% TFMP can make the electrolyte be hardly flammable, exhibiting high-efficiency flame retardant. Moreover, the 20 vol% TFMP-containing electrolyte also exhibited insignificant influence on graphite anode with high initial capacity of 346 mAh g −1 and excellent capacity retention of 93% over 100 cycles. For LiFePO 4 cathode, the excellent electrochemical performance was observed including gradually increasing reversible capacity from 128 to 139 mAh g −1 over 100 cycles in the 20 vol% TFMP-containing electrolyte. The results imply that TFMP is a promising option as highly flame-retardant and electrochemically compatible electrolyte additive for safe lithium-ion batteries

  16. Investigations on the fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene by certain flavonoids.

    Science.gov (United States)

    Anbazhagan, V; Kalaiselvan, A; Jaccob, M; Venuvanalingam, P; Renganathan, R

    2008-05-29

    The fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by seven flavonoids namely flavone, flavanone, quercetin, rutin, genistein, diadzein and chrysin has been investigated in acetonitrile and dichloromethane solvents. The bimolecular quenching rate constants lie in the range of 0.09-5.75 x 10(9)M(-1)s(-1) and are explained in terms of structure of the flavonoids studied. The reactivity of flavonoids are in the order: quercetin>rutin>genistein>diadzein>chrysin>flavone>flavanone. The quenching rate constants (k(q)) increase with increase in the number of -OH groups. The endergonic thermodynamic values of DeltaG(et) reveal that electron transfer quenching mechanism can be ruled out. Bond dissociation enthalpy calculations reveal that the position of -OH is important. Further in vitro-antioxidant activities of flavonoids were evaluated with rat liver catalase by gel electrophoresis. The deuterium isotope effect thus observed in this work provides evidence for hydrogen abstraction involved in the quenching process of singlet excited DBO by flavonoids. The data suggest the involvement of direct hydrogen atom transfer (radical scavenging) in the fluorescence quenching of DBO. Bond dissociation enthalpy calculation performed at B3LYP/6-31G(p')//B3LYP/3-21G level are in excellent agreement with the above observations and further reveal that the number OH groups and position of them decide the quenching ability of the flavonoids.

  17. Theoretical study on the photolysis mechanism of 2,3-diazabicyclo[2.2.2]oct-2-ene.

    Science.gov (United States)

    Chen, Hui; Li, Shuhua

    2005-09-28

    A CASPT2/CASSCF study has been carried out to investigate the mechanism of the photolysis of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) under direct and triplet-sensitized irradiation. By exploring the detailed potential energy surfaces including intermediates, transition states, conical intersections, and singlet/triplet crossing points, for the first excited singlet (S(1)) and the low-lying triplet states (T(1), T(2), and T(3)), we provide satisfactory explanations of many experimental findings associated with the photophysical and photochemical processes of DBO. A key finding of this work is the existence of a significantly twisted S(1) minimum, which can satisfactorily explain the envelope of the broad emission band of DBO. It is demonstrated that the S(1) (n-pi*) intermediate can decay to the T(1) (n-pi*) state by undergoing intersystem crossing (rather inefficient) to the T(2) (pi-pi*) state followed by internal conversion to the T(1) state. The high fluorescence yield and the extraordinarily long lifetime of the singlet excited DBO are due to the presence of relatively high barriers, both for intersystem crossing and for C-N cleavage. The short lifetime of the triplet DBO is caused by fast radiationless decay to the ground state.

  18. Assessment of the thermodynamic properties of poly(2,2,2-trifluoroethyl methacrylate) by inverse gas chromatography.

    Science.gov (United States)

    Papadopoulou, Stella K; Panayiotou, Costas

    2014-01-10

    The thermodynamic properties of poly(2,2,2-trifluoroethyl methacrylate) (PTFEMA) were determined by the aid of the inverse gas chromatography technique (IGC), at infinite dilution. The interactions between the polymer and 15 solvents were examined in the temperature range of 120-150 °C via the estimation of the thermodynamic sorption parameters, the parameters of mixing at infinite dilution, the weight fraction activity coefficients and the Flory-Huggins interaction parameters. Additionally, the total and the partial solubility parameters of PTFEMA were estimated. The findings of this work indicate that the type and strength of the intermolecular interactions between the polymer and the solvents are strongly depended on the functional groups of the polymer and the solvents. The proton acceptor character of the polymer is responsible for the preferential solubility of PTFEMA in chloroform which acts as a proton donor solvent. The results also reveal that the polymer is insoluble in alkanes and alcohols whereas it presents good miscibility with polar solvents, especially with 2-butanone, 2-pentanone and 1,4-dioxane. Furthermore, the total and dispersive solubility parameters appear diminishing upon temperature rise, whereas the opposite behavior is noticed for the polar and hydrogen bonding solubility parameters. The latter increase with temperature, probably, due to conformational changes of the polymer on the solid support. Finally, comparison of the solubilization profiles of fluorinated methacrylic polymers studied by IGC, leads to the conclusion that PTFEMA is more soluble compared to polymers with higher fluorine content. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. The identification and analytical characterization of 2,2'-difluorofentanyl.

    Science.gov (United States)

    Liu, Cuimei; Li, Tao; Han, Yu; Hua, Zhendong; Jia, Wei; Qian, Zhenhua

    2018-04-01

    New psychoactive substances (NPS) have expanded their distribution and become widely available in the global market in recent years. The illicit use of fentanyl and its analogs has become an important worldwide concern linked to their high potency and risk of fatal overdose. This study describes the analytical characterization of a new fentanyl derivative N-(1-(2-fluorophenethyl)-4-piperidinyl)-N-(2-fluorophenyl)propionamide (2,2'-difluorofentanyl). Identification was based on ultra-high-performance liquid chromatography-quadrupole time-of-flight-mass spectrometry (UHPLC-QTOF-MS), gas chromatography-mass spectrometry (GC-MS), Fourier transform infrared (FTIR) spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy. To our knowledge, this study is the first to report on analytical data for this compound. The most abundant fragment ion in the electrospray ionization (ESI) mass spectrum under collision-induced dissociation (CID) mode was formed by the cleavage between the piperidine ring and the N-phenyl-amide moiety of the protonated molecule. Two diagnostic ions in the electron ionization (EI) mass spectrum were formed by the loss of a tropylium ion (M-91), and by the degradation of the piperidine ring and dissociate of the COC 2 H 5 moiety altogether, respectively. Copyright © 2017 John Wiley & Sons, Ltd.

  20. Building complex carbon skeletons with ethynyl[2.2]paracyclophanes

    Directory of Open Access Journals (Sweden)

    Ina Dix

    2014-08-01

    Full Text Available Ethynyl[2.2]paracyclophanes are shown to be useful substrates for the preparation of complex, highly unsaturated carbon frameworks. Thus both the pseudo-geminal- 2 and the pseudo-ortho-diethynylcyclophane 4 can be dimerized by Glaser coupling to the respective dimers 9/10 and 11/12. Whereas the former isomer pair could not be separated so far, the latter provided the pure diastereomers after extensive column chromatography/recrystallization. Isomer 11 is chiral and could be separated on a column impregnated with cellulose tris(3,5-dimethylphenylcarbamate. The bridge-extended cyclophane precursor 18 furnished the ring-enlarged cyclophanes 19 and 20 on Glaser–Hay coupling. Cross-coupling of 4 and the planar building block 1,2-diethynylbenzene (1 yielded the chiral hetero dimer 22 as the main product. An attempt to prepare the biphenylenophane 27 from the triacetylene 24 by CpCo(CO2-catalyzed cycloisomerization resulted in the formation of the cyclobutadiene Co-complex 26. Besides by their usual spectroscopic and analytical data, the new cyclophanes 11, 12, 19, 20, 22, and 26 were characterized by X-ray structural analysis.

  1. KASS v.2.2. scheduling software for construction

    Directory of Open Access Journals (Sweden)

    Krzemiński Michał

    2016-01-01

    Full Text Available The paper presents fourth version of specialist useful software in scheduling KASS v.2.2 (Algorithm Scheduling Krzeminski System. KASS software is designed for construction scheduling, specially form flow shop models. The program is being dedicated closely for the purposes of the construction. In distinguishing to other used programs in tasks of this type operational research criteria were designed closely with the thought about construction works and about the specificity of the building production. The minimal time, the minimal slack of brigades, the minimal slacks of the chosen working brigade and costs of the transfer operation of working fronts are included in operational research criteria between work centers. It is possible to enter data into the program both by hand as well as to load the Excel from files, similarly is with results, they are presented on-screen as well as a possibility of enrolling them in the file exists Excel. An element is very valid for it since allows for further simple processing of received results. In providing software for performing operational research calculations a technique of the complete review and simulation technology are being exploited. Described algorithms a program is using which will stay in the article as well as shown computational examples will remain.

  2. Synthesis and X-ray crystal structure of (OsO(3)F(2))(2)2XeOF(4) and the Raman spectra of (OsO(3)F(2))(infinity), (OsO(3)F(2))(2), and (OsO(3)F(2))(2)2XeOF(4).

    Science.gov (United States)

    Hughes, Michael J; Mercier, Hélène P A; Schrobilgen, Gary J

    2009-05-18

    The adduct, (OsO(3)F(2))(2)2XeOF(4), was synthesized by dissolution of the infinite chain polymer, (OsO(3)F(2))(infinity), in XeOF(4) solvent at room temperature followed by removal of excess XeOF(4) under dynamic vacuum at 0 degrees C. Continued pumping at 0 degrees C resulted in removal of associated XeOF(4), yielding (OsO(3)F(2))(2), a new low-temperature phase of OsO(3)F(2). Upon standing at 25 degrees C for 1(1)/(2) h, (OsO(3)F(2))(2) underwent a phase transition to the known monoclinic phase, (OsO(3)F(2))(infinity). The title compounds, (OsO(3)F(2))(infinity), (OsO(3)F(2))(2), and (OsO(3)F(2))(2)2XeOF(4) have been characterized by low-temperature (-150 degrees C) Raman spectroscopy. Crystallization of (OsO(3)F(2))(2)2XeOF(4) from XeOF(4) solution at 0 degrees C yielded crystals suitable for X-ray structure determination. The structural unit contains the (OsO(3)F(2))(2) dimer in which the OsO(3)F(3) units are joined by two Os---F---Os bridges having fluorine bridge atoms that are equidistant from the osmium centers (2.117(5) and 2.107(4) A). The dimer coordinates to two XeOF(4) molecules through Os-F...Xe bridges in which the Xe...F distances (2.757(5) A) are significantly less than the sum of the Xe and F van der Waals radii (3.63 A). The (OsO(3)F(2))(2) dimer has C(i) symmetry in which each pseudo-octahedral OsO(3)F(3) unit has a facial arrangement of oxygen ligands with XeOF(4) molecules that are only slightly distorted from their gas-phase C(4v) symmetry. Quantum-chemical calculations using SVWN and B3LYP methods were employed to calculate the gas-phase geometries, natural bond orbital analyses, and vibrational frequencies of (OsO(3)F(2))(2), (OsO(3)F(2))(2)2XeOF(4), XeOF(4), OsO(2)F(4), and (mu-FOsO(3)F(2))(2)OsO(3)F(-) to aid in the assignment of the experimental vibrational frequencies of (OsO(3)F(2))(2), (OsO(3)F(2))(2)2XeOF(4), and (OsO(3)F(2))(infinity). The vibrational modes of the low-temperature polymeric phase, (OsO(3)F(2))(infinity), have been

  3. Influence of basis-set size on the X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B Σ 1 /2 +2 potential-energy curves, A Π 3 /2 2 vibrational energies, and D1 and D2 line shapes of Rb+He

    Science.gov (United States)

    Blank, L. Aaron; Sharma, Amit R.; Weeks, David E.

    2018-03-01

    The X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves for Rb+He are computed at the spin-orbit multireference configuration interaction level of theory using a hierarchy of Gaussian basis sets at the double-zeta (DZ), triple-zeta (TZ), and quadruple-zeta (QZ) levels of valence quality. Counterpoise and Davidson-Silver corrections are employed to remove basis-set superposition error and ameliorate size-consistency error. An extrapolation is performed to obtain a final set of potential-energy curves in the complete basis-set (CBS) limit. This yields four sets of systematically improved X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves that are used to compute the A Π 3 /2 2 bound vibrational energies, the position of the D2 blue satellite peak, and the D1 and D2 pressure broadening and shifting coefficients, at the DZ, TZ, QZ, and CBS levels. Results are compared with previous calculations and experimental observation.

  4. Field Encapsulation Library The FEL 2.2 User Guide

    Science.gov (United States)

    Moran, Patrick J.; Henze, Chris; Ellsworth, David

    1999-01-01

    This document describes version 2.2 of the Field Encapsulation Library (FEL), a library of mesh and field classes. FEL is a library for programmers - it is a "building block" enabling the rapid development of applications by a user. Since FEL is a library intended for code development, it is essential that enough technical detail be provided so that one can make full use of the code. Providing such detail requires some assumptions with respect to the reader's familiarity with the library implementation language, C++, particularly C++ with templates. We have done our best to make the explanations accessible to those who may not be completely C++ literate. Nevertheless, familiarity with the language will certainly help one's understanding of how and why things work the way they do. One consolation is that the level of understanding essential for using the library is significantly less than the level that one should have in order to modify or extend the library. One more remark on C++ templates: Templates have been a source of both joy and frustration for us. The frustration stems from the lack of mature or complete implementations that one has to work with. Template problems rear their ugly head particularly when porting. When porting C code, successfully compiling to a set of object files typically means that one is almost done. With templated C++ and the current state of the compilers and linkers, generating the object files is often only the beginning of the fun. On the other hand, templates are quite powerful. Used judiciously, templates enable more succinct designs and more efficient code. Templates also help with code maintenance. Designers can avoid creating objects that are the same in many respects, but not exactly the same. For example, FEL fields are templated by node type, thus the code for scalar fields and vector fields is shared. Furthermore, node type templating allows the library user to instantiate fields with data types not provided by the FEL

  5. Geology Forsmark. Site descriptive modelling Forsmark - stage 2.2

    Energy Technology Data Exchange (ETDEWEB)

    Stephens, Michael B. [Geological Survey of Sweden, Uppsala (Sweden); Fox, Aaron; La Pointe, Paul [Golder Associates Inc (United States); Simeonov, Assen [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Isaksson, Hans [GeoVista AB, Luleaa (Sweden); Hermanson, Jan; Oehman, Johan [Golder Associates AB, Stockholm (Sweden)

    2007-10-15

    The geological work during stage 2.2 has involved the development of deterministic models for rock domains (RFM) and deformation zones (ZFM), the identification and deterministic modelling of fracture domains (FFM) inside the candidate volume, i.e. the parts of rock domains that are not affected by deformation zones, and the development of statistical models for fractures and minor deformation zones (geological discrete fracture network modelling or geological DFN modelling). The geological DFN model addresses brittle structures at a scale of less than 1 km, which is the lower cut-off in the deterministic modelling of deformation zones. In order to take account of variability in data resolution, deterministic models for rock domains and deformation zones are presented in both regional and local model volumes, while the geological DFN model is valid within specific fracture domains inside the north-western part of the candidate volume, including the target volume. The geological modelling work has evaluated and made use of: A revised bedrock geological map at the ground surface. Geological and geophysical data from 21 cored boreholes and 33 percussion boreholes. Detailed mapping of fractures and rock units along nine excavations or large surface outcrops. Data bearing on the characterisation (including kinematics) of deformation zones. Complementary geochronological and other rock and fracture analytical data. Lineaments identified on the basis of airborne and high-resolution ground magnetic data. A reprocessing of both surface and borehole reflection seismic data. Seismic refraction data. The outputs of the deterministic modelling work are geometric models in RVS format and detailed property tables for rock domains and deformation zones, and a description of fracture domains. The outputs of the geological DFN modelling process are recommended parameters or statistical distributions that describe fracture set orientations, radius sizes, volumetric intensities

  6. Geology Forsmark. Site descriptive modelling Forsmark - stage 2.2

    International Nuclear Information System (INIS)

    Stephens, Michael B.; Fox, Aaron; La Pointe, Paul; Simeonov, Assen; Isaksson, Hans; Hermanson, Jan; Oehman, Johan

    2007-10-01

    The geological work during stage 2.2 has involved the development of deterministic models for rock domains (RFM) and deformation zones (ZFM), the identification and deterministic modelling of fracture domains (FFM) inside the candidate volume, i.e. the parts of rock domains that are not affected by deformation zones, and the development of statistical models for fractures and minor deformation zones (geological discrete fracture network modelling or geological DFN modelling). The geological DFN model addresses brittle structures at a scale of less than 1 km, which is the lower cut-off in the deterministic modelling of deformation zones. In order to take account of variability in data resolution, deterministic models for rock domains and deformation zones are presented in both regional and local model volumes, while the geological DFN model is valid within specific fracture domains inside the north-western part of the candidate volume, including the target volume. The geological modelling work has evaluated and made use of: A revised bedrock geological map at the ground surface. Geological and geophysical data from 21 cored boreholes and 33 percussion boreholes. Detailed mapping of fractures and rock units along nine excavations or large surface outcrops. Data bearing on the characterisation (including kinematics) of deformation zones. Complementary geochronological and other rock and fracture analytical data. Lineaments identified on the basis of airborne and high-resolution ground magnetic data. A reprocessing of both surface and borehole reflection seismic data. Seismic refraction data. The outputs of the deterministic modelling work are geometric models in RVS format and detailed property tables for rock domains and deformation zones, and a description of fracture domains. The outputs of the geological DFN modelling process are recommended parameters or statistical distributions that describe fracture set orientations, radius sizes, volumetric intensities

  7. Preparation of 1,1,2,2-tetrachloroethane and trichloroethylene labelled with radioactive chlorine

    International Nuclear Information System (INIS)

    Smirnova, G.E.; Shalygin, V.A.; Zel'venskij, Ya.D.; Prosyanov, N.N.

    1980-01-01

    The chemical synthesis of 1,1,2,2-tetrachloroethane is carried out. 1,2,2,2-tetrachloroethane is labelled with radioactive chlorine by chlorinating the mixture of cis-, transisomeres of dichlorethylene with elementary chlorine. Trichloroethylene labelled with radioactive chlorine is prepared by the effect of alkali alcohol solution on radioactive 1,1,2,2-tetrachloroethane

  8. 2,2,2-Trifluoroethanol changes the transition kinetics and subunit interactions in the small bacterial mechanosensitive channel MscS

    NARCIS (Netherlands)

    Akitake, B.; Spelbrink, R.E.J.; Anishkin, A.; Killian, J.A.; de Kruijff, B.; Sukharev, S.

    2007-01-01

    2,2,2-Trifluoroethanol (TFE), a low-dielectric solvent, has recently been used as a promising tool to probe the strength of intersubunit interactions in membrane proteins. An analysis of inner membrane proteins of Escherichia coli has identified several SDS-resistant protein complexes that separate

  9. Diels-Alder Synthesis of endo-cis-N-phenylbicyclo[2.2.2]oct-5-en-2,3-dicarboximide

    Science.gov (United States)

    Baar, Marsha R.; Wustholz, Kristin

    2005-01-01

    A study investigated the Diels-Alder synthesis of endo-cis-N-phenylbicyclo [2.2.2]oct-5-en-2,3-dicarboximide. The amount of time taken by a reaction between the 1,3-cyclohexadiene and N-phenylmaleimide at room temperature and also whether the desired cycloadduct would precipitate directly from the reaction mixture was examined.

  10. 38 CFR 2.2 - Delegation of authority to employees to issue subpoenas, etc.

    Science.gov (United States)

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Delegation of authority to employees to issue subpoenas, etc. 2.2 Section 2.2 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS AFFAIRS DELEGATIONS OF AUTHORITY § 2.2 Delegation of authority to employees to issue...

  11. 40 CFR 721.3248 - Ethane, 1,2,2- trichlorodifluoro-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethane, 1,2,2- trichlorodifluoro-. 721... Substances § 721.3248 Ethane, 1,2,2- trichlorodifluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane, 1,2,2-trichlorodifluoro- (CAS No...

  12. 41 CFR 301-2.2 - What travel expenses may my agency pay?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 4 2010-07-01 2010-07-01 false What travel expenses may my agency pay? 301-2.2 Section 301-2.2 Public Contracts and Property Management Federal Travel Regulation System TEMPORARY DUTY (TDY) TRAVEL ALLOWANCES INTRODUCTION 2-GENERAL RULES § 301-2.2 What travel...

  13. 17 CFR 240.15b2-2 - Inspection of newly registered brokers and dealers.

    Science.gov (United States)

    2010-04-01

    ... brokers and dealers. 240.15b2-2 Section 240.15b2-2 Commodity and Securities Exchanges SECURITIES AND... Regulations Under the Securities Exchange Act of 1934 Registration of Brokers and Dealers § 240.15b2-2 Inspection of newly registered brokers and dealers. (a) Definition. For the purpose of this section the term...

  14. On a covariant 2+2 formulation of the initial value problem in general relativity

    International Nuclear Information System (INIS)

    Smallwood, J.

    1980-03-01

    The initial value problems in general relativity are considered from a geometrical standpoint with especial reference to the development of a covariant 2+2 formalism in which space-time is foliated by space-like 2-surfaces under the headings; the Cauchy problem in general relativity, the covariant 3+1 formulation of the Cauchy problem, characteristic and mixed initial value problems, on locally imbedding a family of null hypersurfaces, the 2+2 formalism, the 2+2 formulation of the Cauchy problem, the 2+2 formulation of the characteristic and mixed initial value problems, and a covariant Lagrangian 2+2 formulation. (U.K.)

  15. Tracing water movement in Mumbai harbor bay using naturally occurring "2"2"4Ra and "2"2"3Ra as tracer

    International Nuclear Information System (INIS)

    Yadav, V.B.; Sartandel, S.J.; Jha, S.K.; Tripathi, R.M.

    2017-01-01

    Measurement of short lived radium isotopes "2"2"4Ra and "2"2"3Ra in seawater samples collected from Mumbai Harbor Bay was carried out using MnO_2 based in-situ pre-concentration technique coupled with coincidence counting. Longitudinal variation of "2"2"4Ra and "2"2"3Ra was found in the range 17.74 - 98.66 dpm/100L and 0.56 - 2.26 dpm/100L respectively. Higher value of radium isotopes was found near shore sampling points where reused seawater and surface water from land intrudes in creek. A decreasing pattern was observed in the creek as we move to offshore locations. Lower activity ratio in offshore locations indicates the flow of water towards open sea. (author)

  16. Luminescently tagged 2,2'-bipyridine complex of FeII: synthesis and photophysical studies of 4-[N-(2-anthryl)carbamoyl]-4'-methyl-2,2'-bipyridine.

    Science.gov (United States)

    Zigler, David F; Elvington, Mark C; Heinecke, Julie; Brewer, Karen J

    2006-08-21

    The anthracene lumiphore was linked to the chelating ligand 2,2'-bipyridine, forming 4-[N-(2-anthryl)carbamoyl]-4'-methyl-2,2'-bipyridine (bpyAnth). Coupling through an amide linkage provides some electronic isolation of the anthracene lumiphore. Electrochemistry suggested little change of the anthracene oxidation whether free (1.35 V) linked to 2,2'-bipyridine as bpyAnth (1.30 V) or appended to Fe(II) (1.29 V). The bpyAnth ligand retained the structured luminescence characteristic of anthracene at 375, 400, 419, and 441 nm. This anthracene emission persists even when bpyAnth is complexed to an Fe(II) center. The complex [Fe(bpyAnth)3]2+ is emissive, in marked contrast to typical polyazine iron(II) complexes. This bpyAnth ligand serves as a luminescently tagged analogue of 2,2'-bipyridine, useful for coordination to a variety of metals.

  17. Chain-growth cycloaddition polymerization via a catalytic alkyne [2 + 2 + 2] cyclotrimerization reaction and its application to one-shot spontaneous block copolymerization.

    Science.gov (United States)

    Sugiyama, Yu-ki; Kato, Rei; Sakurada, Tetsuya; Okamoto, Sentaro

    2011-06-29

    A cobalt-catalyzed alkyne [2 + 2 + 2] cycloaddition reaction has been applied to polymerizations yielding linear polymers via selective cross-cyclotrimerization of yne-diyne monomers, which occurs in a chain-growth manner. Additionally, through control of the alkyne reactivity of the two monomers, this method was efficiently applied to the spontaneous block copolymerization of their mixture. Here we present the proposed mechanism of the catalyst transfer process of this cycloaddition polymerization.

  18. Substituted 2,2′-bipyridines by nickel-catalysis: 4,4′-di-tert-butyl-2,2′-bipyridine

    OpenAIRE

    Buonomo, Joseph A.; Everson, Daniel A.; Weix, Daniel J.

    2013-01-01

    A simple, ligand-free synthesis of the important bipyridyl ligand 4,4′-di-tert-butyl-2,2′-bipyridine is presented. 5,5′-bis(trifluoromethyl)-2,2′-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

  19. Substituted 2,2′-bipyridines by nickel-catalysis: 4,4′-di-tert-butyl-2,2′-bipyridine

    Science.gov (United States)

    Buonomo, Joseph A.; Everson, Daniel A.; Weix, Daniel J.

    2014-01-01

    A simple, ligand-free synthesis of the important bipyridyl ligand 4,4′-di-tert-butyl-2,2′-bipyridine is presented. 5,5′-bis(trifluoromethyl)-2,2′-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant. PMID:25221358

  20. Ion exchange separation of lead from strontium in certified reference samples and spectrophotometric determination of lead as extractable ion-pair of eosin2- and the lead-cryptand (2.2.2)2+ complex

    International Nuclear Information System (INIS)

    Al-Merey, R.; Al-Shayah, O.

    2004-01-01

    A two-step procedure including anion exchange separation of lead from strontium in geological reference samples and a spectrophotometric determination of the separated lead as lead-cryptate (2.2.2) complex is presented. The exchangeable anion Cl - of the ion exchange resin (Dowex 1x4) is changed to Br - in 6M HBr solution. Lead is quantitatively retained in the column from 0.5M HBr medium, while Sr 2+ , Ba 2+ , Ca 2+ , Mg 2+ , Na + , K + , Fe 3+ , Cr 3+ , and Al 3+ are passed through. Subsequently the retained Ph is eluted from the column with 6M HBr. The separation efficiency of the resin is controlled using mixed standard solution of (Pb, Sr, Ca, Mg, Ba, Na, K, Fe, Cr and Al), and radioactive tracer of 85 Sr and 131 Ba. The resin selectivity coefficient (K) of separating Pb from Sr is found to be K S r P b∼10 9 . The Spectrophotometric method of lead determination is based on the formation of lead-crytate (2.2.2) complex at pH 8.3 using borate/HCl as a buffer solution. Then the ion-pair of eosin 2+ and lead-cryptand (2.2.2) complex is extracted with chloroform, finally the absorbance of the extractable legend is measured at 550 nm. The extraction recovery, accuracy, precision, linearity and detection limit of the spectrophotometric method are 99.58%, 1.7%, 0.080μg mL -1 , o-9μg mL -1 , and 0.060μg mL -1 , respectively. (author)

  1. Synthesis and in vivo evaluation of [O-methyl-11C](2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxy)phenyl]ethyl]phenoxy] ethyl-1-methylpyrrolidine as a 5-HT2A receptor PET ligand

    International Nuclear Information System (INIS)

    Kumar, J.S. Dileep; Prabhakaran, Jaya; Erlandsson, Kjell; Majo, Vattoly J.; Simpson, Norman R.; Pratap, Mali; Heertum, Ronald L. van; Mann, J. John; Parsey, Ramin V.

    2006-01-01

    The serotonin 2A (5-HT 2A ) receptor is implicated in the pathophysiology of schizophrenia and mood disorders, and in vivo studies of this receptor would be of value in studying the pathophysiology of these disorders and in measuring the relationship of clinical response to receptor occupancy for 5-HT 2A antagonists such as atypical antipsychotics. Therefore, (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxy)-phenyl]ethyl] phenoxy]ethyl-1-methylpyrrolidine (MPM) (13), a selective and high-affinity (K i =0.79 nM) 5HT 2A antagonist, has been radiolabeled with carbon-11 by O-methylation of the corresponding desmethyl analogue (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-hydroxy)phenyl]ethyl]phenoxy] ethyl-1-methylpyrrolidine (12) with [ 11 C]methyltriflate in order to determine the suitability of [ 11 C]MPM to quantify 5-HT 2A in living brain using PET. Desmethyl-MPM 12 and standard MPM were prepared, starting from 3-hydroxymethylphenol (2), in excellent yield. The yield obtained for radiolabeling was 40±5% (EOB), and the total synthesis time was 30 min at EOS. PET studies with [ 11 C]MPM in baboon showed a distribution in the brain consistent with the known distribution of 5-HT 2A receptors. The time-activity curves for the high-binding regions peaked at ∼45 min after injection. Blocking studies with M100907 demonstrated not only 38-57% blocking of tracer binding in brain regions known to have 5-HT 2A receptors but also 38% blocking in cerebellum, which has a low 5-HT 2A receptor concentration. Although [ 11 C]MPM exhibits appropriate kinetics in baboon for imaging 5-HT 2A receptors, its specific binding in cerebellum and higher proportion of nonspecific binding limit its usefulness for the in vivo quantification of 5-HT 2A receptors with PET

  2. ALDH2*2 and peer drinking in East Asian college students.

    Science.gov (United States)

    O'Shea, Taryn; Thomas, Nathaniel; Webb, Bradley Todd; Dick, Danielle M; Kendler, Kenneth S; Chartier, Karen G

    2017-11-01

    The ALDH2*2 allele (A-allele) at rs671 is more commonly carried by Asians and is associated with alcohol-related flushing, a strong adverse reaction to alcohol that is protective against drinking. Social factors, such as having friends who binge drink, also contribute to drinking in Asian youth. This study examined the interplay between ALDH2*2, peer drinking, and alcohol consumption in college students. We hypothesized that the relationship between ALDH2*2 and standard grams of ethanol per month would vary based on the level of peer drinking. Subjects (N = 318, 63.25% female) were East Asian college students in the United States who reported drinking alcohol. Data were from the freshman year of a university survey that included a saliva DNA sample. ALDH2*2 status was coded ALDH2*2(+) (A/G and A/A genotypes) and ALDH2*2(-) (G/G genotype). Peer drinking was students' perception of how many of their friends "got drunk". Main effects of ALDH2*2(-) and having more friends who got drunk were associated with greater alcohol consumption. The ALDH2*2 × peer drunkenness interaction showed a stronger positive association with alcohol consumption for ALDH2*2(-) versus ALDH2*2(+) at increasing levels of peer drunkenness. Follow-up comparisons within each peer drunkenness level identified significantly higher alcohol consumption for ALDH2*2(-) compared to ALDH2*2(+) at the all friends got drunk level. There was evidence of a stronger effect for ALDH2*2(-) compared to ALDH2*2(+) with greater alcohol use when students were more exposed to peer drinking. Findings contribute to a growing literature on the interrelationships between genetic influences and more permissive environments for alcohol consumption.

  3. A rapid novel derivatization of amphetamine and methamphetamine using 2,2,2-trichloroethyl chloroformate for gas chromatography electron ionization and chemical ionization mass spectrometric analysis.

    Science.gov (United States)

    Dasgupta, A; Spies, J

    1998-05-01

    Amphetamine and methamphetamine are commonly abused central nervous system stimulants. We describe a rapid new derivatization of amphetamine and methamphetamine using 2,2,2-trichloroethyl chloroformate for gas chromatography-mass spectrometric analysis. Amphetamine and methamphetamine, along with N-propyl amphetamine (internal standard), were extracted from urine using 1-chlorobutane. The derivatization with 2,2,2-trichloroethyl chloroformate can be achieved at room temperature in 10 minutes. The electron ionization mass spectrum of amphetamine 2,2,2-trichloroethyl carbamate showed two weak molecular ions at m/z 309 and 311, but showed diagnostic strong peaks at m/z 218, 220, and 222. In contrast, chemical ionization of the mass spectrum of amphetamine 2,2,2-trichloroethyl carbamate showed strong (M + 1) ions at m/z 310 and 312 and other strong diagnostic peaks at m/z 274 and 276. The major advantages of this derivative are the presence of a diagnostic cluster of peaks due to the isotopic effect of three chlorine atoms (isotopes 35 and 37) in the derivatized molecule and the relative ease of its preparation. We also observed strong molecular ions for derivatized methamphetamine in the chemical ionization mass spectrum, but the molecular ions were very weak in the electron ionization mass spectrum. We used the scan mode of mass spectrometry in all analyses. When using a urine standard containing 1,000 ng/mL of amphetamine (a 7.4-micromol/L concentration) and methamphetamine (a 6.7-micromol/L concentration), the within-run precisions were 4.8% for amphetamine and 3.6% for methamphetamine. The corresponding between-run precisions were 5.3% for amphetamine and 6.7% for methamphetamine. The assay was linear for amphetamine and methamphetamine concentrations of 250 to 5,000 ng/mL (amphetamine, 1.9-37.0 micromol/L; methamphetamine, 1.7-33.6 micromol/L). The detection limit was 100 ng/mL (amphetamine, 0.74 micromol/L; methamphetamine, 0.67 micromol/L) using the scan mode

  4. Synthesis and Characterization of Platinum(II) Complexes with Various Substituted 2,2'-Bipyridine Ligands.

    Science.gov (United States)

    Son, Seokhwan; Lee, Hwan Gyu; Lee, Nopl; Ryu, Minwoo; Kwak, Cheenhun; Lee, Jihoon; Ahn, Hogeun; Chung, Minchu

    2016-02-01

    The reaction of platinum 5,5"-(9,9-dioctyl-9H-fluorene-2,7-diyl)di-2,2'-bipyridine with 2,2'-bipyridine) PtCI2, (1,10-phenanthroline)PtC2 and (2,2'-bipyrimidine)PtC2: (2,2'-bipyridine)Pt[5,5"-(9,9-dioctyl-9H- fluorene-2,7-diyl)di-2,2'-bipyridine] (1) (2,2'-bipyrimi-dine)Pt[5,5"-(9,9-dioctyl-9H-fluorene-2,7-diyl)di- 2,2'-bipyridine] (2) (1,10-Phenantroline)-Pt[5,5"-(9,9-dioctyl-9H-fluorene-2,7-diyl)di-2,2'-bipyridine] (3). In the study, new platinum complex compounds were synthesized utilizing the ligand of a 5,5"-(9,9- dioctyl-9H-fluorene-2,7-diyl)di-2,2'-bipyridine). Each of the three complexes was obtained through the reaction carried out in this study. These complexes were analyzed using 1H(13C)-NMR, PL, and a UV-vis spectrophotometer. The maximum wavelengths of complexes 1, 2, and 3 appear at 519 nm, 375 nm, and 517 nm, respectively. The quantum yields of these complexes are in the range of 0.35-0.67.

  5. Biodegradation of Chlorpyrifos by Pseudomonas Resinovarans Strain AST2.2 Isolated from Enriched Cultures.

    OpenAIRE

    Anish Sharma*,; Jyotsana Pandit; Ruchika Sharma and; Poonam Shirkot

    2016-01-01

    A bacterial strain AST2.2 with chlorpyrifos degrading ability was isolated by enrichment technique from apple orchard soil with previous history of chlorpyrifos use. Based on the morphological, biochemical tests and 16S rRNA sequence analysis, AST2.2 strain was identified as Pseudomonas resinovarans. The strain AST2.2 utilized chlorpyrifos as the sole source of carbon and energy. This strain exhibited growth upto 400mg/l concentration of chlorpyrifos and exhibited high extracellular organopho...

  6. Photochemical assessment of UO2+2 complexation in Triton X-100 micellar system

    International Nuclear Information System (INIS)

    Das, S.K.; Ganguly, B.N.

    1994-01-01

    This is a report on the spectral characteristics of UO 2 +2 in the excited state in the Triton X-100 micellar medium. The downward curving of the Stern-Volmer plot explains the two kinds of populations of UO 2 +2 upon micellization. A blue shift of the quenched emission is ascribed due to the collisional encounter of UO 2 +2 with the head groups of Triton X-100. (author). 5 refs., 2 figs

  7. New hydride compounds of 1,4-diazabicyclo[2.2.2]octane and its dication with borine and tetrahydridoborate anion and products of their transformations

    International Nuclear Information System (INIS)

    Shevchenko, Yu.N.; Yashina, N.I.; Markova, O.Z.; Trachevskij, V.V.

    1996-01-01

    New compounds [dabcoH 2 ](BH 4 ) 2 , dabco(BH 3 ) 2 2H 2 , [dabco(BH 3 ) 2 H 2 ] n have been synthesized by means of interaction between dihydrochloride of 1,4-diazobicyclo[2.2.2] octane (dabco) and NaBH 4 in the medium of nonaqueous solvents (glyme, diglyme, tetrahydrofuran, dimethylsulfoxide) and identified by the methods of element analysis, conductometry, 1 H, 11 B, 14 N NMR, IR spectroscopy and thermal analysis. A mechanism is suggested and the conditions are defined for mutual transformations of the compounds studied. Their ability to bind reversibly molecular hydrogen has been revealed for the first time. 19 refs.; 3 figs.; 1 tab

  8. 2-(2-Pyridylpyridinium (2,2′-bipyridine-κ2N,N′tetrakis(nitrato-κ2O,O′bismuthate(III

    Directory of Open Access Journals (Sweden)

    Shu-Shen Zhang

    2011-10-01

    Full Text Available The structure of the title compound, (C10H9N2[Bi(NO34(C10H8N2], consists of 2-(2-pyridylpyridinium cations and anions [Bi(NO34(C10H8N2]−. The Bi3+ ion lies on the twofold axis. It is coordinated by two nitrogen atoms from one 2,2′-bipyridine ligand and eight oxygen atoms from four NO3− anions. The disordered cation is positioned at the inversion centre. The [Bi(NO34(C10H8N2]− anions and 2-(2-pyridylpyridinium cations are connected via N—H...O hydrogen bonds into chains. Moreover, these chains are further linked into a two-dimensional layered structure through π–π stacking interactions between bipyridine ligands along the c axis [centroid–centroid distance = 2.868 (4 Å].

  9. 4-Aza-1-azoniabicyclo?[2.2.2]octa?ne?2-amino?benzoate?2-amino?benzoic acid (1/1/1)

    OpenAIRE

    Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.

    2011-01-01

    A 4-aza-1-azoniabicyclo[2.2.2]octane cation, a 2-aminobenzoate anion and a neutral 2-aminobenzoic acid molecule comprise the asymmetric unit of the title compound, C6H13N2+·C7H6NO2−·C7H7NO2. An intramolecular N—H...O hydrogen bond occurs in the anion and in the neutral 2-aminobenzoic acid molecule. The cation provides a charge-assisted N—H...O hydrogen bond to the anion, and the 2-aminobenzoic acid molecule forms an O—H...N hydrogen bo...

  10. Excess Substrate is a Spectator Ligand in a Rhodium-Catalyzed Asymmetric [2+2+2] Cycloaddition of Alkenyl Isocyanates with Tolanes

    Science.gov (United States)

    Oinen, Mark Emil; Yu, Robert T.; Rovis, Tomislav

    2009-01-01

    Excess substrate has been identified as an unintended spectator ligand affecting enantioselectivity in the [2+2+2] cycloaddition of alkenyl isocyanates with tolanes. Replacement of excess substrate with an exogenous additive affords products with consistent and higher ee’s. The increase in enantioselectivity is the result of a change in composition of a proposed rhodium(III) intermediate on the catalytic cycle. The net result is a rational probe of a short-lived rhodium(III) intermediate, and gives insight that may have applications in many rhodium catalyzed reactions. PMID:19803471

  11. Nanostructures and surface hydrophobicity of self-assembled thermosets involving epoxy resin and poly(2,2,2-trifluoroethyl acrylate)-block-poly(ethylene oxide) amphiphilic diblock copolymer.

    Science.gov (United States)

    Yi, Fangping; Zheng, Sixun; Liu, Tianxi

    2009-02-19

    Poly(2,2,2-trifluoroethyl acrylate)-block-poly(ethylene oxide) (PTFEA-b-PEO) amphiphilic diblock copolymer was synthesized via the reversible addition-fragmentation transfer polymerization of 2,2,2-triffluroethyl acrylate with dithiobenzoyl-terminated poly(ethylene oxide) as a chain-transfer agent. The amphiphilic diblock copolymer was incorporated into epoxy resin to prepare the nanostructured epoxy thermosets. The nanostructures were investigated by means of atomic force microscopy, small-angle X-ray scattering, and dynamic mechanical analysis. In terms of the miscibility of the subchains of the block copolymer with epoxy after and before curing reaction, it is judged that the formation of the nanostructures follows the mechanism of self-assembly. The static contact angle measurements indicate that the nanostructured thermosets containing PTFEA-b-PEO diblock copolymer displayed a significant enhancement in surface hydrophobicity as well as a reduction in surface free energy. The improvement in surface properties was ascribed to the enrichment of the fluorine-containing subchain (i.e., PTFEA block) of the amphiphilic diblock copolymer on the surface of the nanostructured thermosets, which was evidenced by surface atomic force microscopy and energy-dispersive X-ray spectroscopy.

  12. Structures of nitrato-(2-hydroxybenzaldehydo) (2,2 Prime -bipyridyl)copper and nitrato-(2-hydroxy-5-nitrobenzaldehydo)(2,2 Prime -bipyridyl)copper

    Energy Technology Data Exchange (ETDEWEB)

    Chumakov, Yu. M. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Paladi, L. G. [Moldova State University (Moldova, Republic of); Antosyak, B. Ya.; Simonov, Yu. A. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Tsapkov, V. I., E-mail: vtsapkov@gmail.com [Moldova State University (Moldova, Republic of); Bocelli, G. [Institute of Materials for Electronics and Magnetism (Italy); Gulea, A. P. [Moldova State University (Moldova, Republic of); Ginju, D. [Alexandru Ioan Cuza University of Iasi (Romania); Palomares-Sanchez, S. A. [Autonomous University of San Luis Potosi (Mexico)

    2011-03-15

    Nitrato-(2-hydroxy-5-nitrobenzaldehydo)(2,2 Prime -bipyridyl)copper (I) and nitrato-(2-hydroxybenzaldehydo)(2,2 Prime -bipyridyl)copper (II) were synthesized and characterized by X-ray diffraction. The coordination polyhedron of the central copper atom in complex I can be described as a distorted tetragonal pyramid whose base is formed by the phenol and carbonyl oxygen atoms of the monodeprotonated 2-hydroxy-5nitrobenzaldehyde molecule and the nitrogen atoms of the 2,2 Prime -bipyridyl ligand and whose apex is occupied by the oxygen atom of the nitrato group. In the crystal structure, complexes I are linked by the acido ligands and the NO{sub 2} groups of the aldehyde molecule into infinite chains. In complex II, the central copper atom is coordinated by 2-hydroxybenzaldehyde, 2,2 Prime -bipyridyl, and the nitrato group, resulting in the formation of centrosymmetric dimers. The coordination polyhedron of the central copper atom can be described as a bipyramid (4 + 1 + 1) with the same base as in complex I. The axial vertices of the bipyramid are occupied by the oxygen atom of the nitrato group and the bridging phenol oxygen atom of the adjacent complex related to the initial complex by a center of symmetry. In the crystal structure, complexes II are hydrogen bonded into infinite chains.

  13. 75 FR 50884 - 2-(2'-hydroxy-3', 5'-di-tert-amylphenyl) benzotriazole and Phenol, 2-(2H-benzotriazole-2-yl)-6...

    Science.gov (United States)

    2010-08-18

    ... 2-(2'-hydroxy-5'-methylphenyl) benzotriazole in guinea pigs showed skin sensitization; however... pesticide manufacturer. Potentially affected entities may include, but are not limited to: Crop production (NAICS code 111). Animal production (NAICS code 112). Food manufacturing (NAICS code 311). Pesticide...

  14. Anomalous property of Ag(BO2)2 hyperhalogen: does spin-orbit coupling matter?

    Science.gov (United States)

    Chen, Hui; Kong, Xiang-Yu; Zheng, Weijun; Yao, Jiannian; Kandalam, Anil K; Jena, Puru

    2013-10-07

    Hyperhalogens were recently identified as a new class of highly electronagative species which are composed of metals and superhalogens. In this work, high-level theoretical calculations and photoelectron spectroscopy experiments are systematically conducted to investigate a series of coinage-metal-containing hyperhalogen anions, Cu(BO(2))(2)(-), Ag(BO(2))(2)(-), and Au(BO(2))(2)(-). The vertical electron detachment energy (VDE) of Ag(BO(2))(2)(-) is anomalously higher than those of Au(BO(2))(2)(-) and Cu(BO(2))(2)(-). In quantitative agreement with the experiment, high-level ab initio calculations reveal that spin-orbit coupling (SOC) lowers the VDE of Au(BO(2))(2)(-) significantly. The sizable magnitude of about 0.5 eV of SOC effect on the VDE of Au(BO(2))(2)(-) demonstrates that SOC plays an important role in the electronic structure of gold hyperhalogens. This study represents a new paradigm for relativistic electronic structure calculations for the one-electron-removal process of ionic Au(I)L(2) complexes, which is characterized by a substantial SOC effect. Copyright © 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Dimetal Complexes of a Bibrachial 2+2 Thiolate-based Macrocycle

    DEFF Research Database (Denmark)

    Lennartson, Anders; McKee, Vickie; Nelson, Jane

    2012-01-01

    Protocols for accessing the [2+3] and [2+2] tren + thiophenolate-based cryptands and macrocycles, respectively, have been devised; however, a propensity towards incomplete crypt formation is clear: Cd(II)2, Mn(II)2, Ni(II)2 and Pd(II)2 complexes of the [2+2] bibrachial systems in which one arm of...

  16. Global Precipitation Climatology Project (GPCP) - Monthly, Version 2.2 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Version 2.2 of the dataset has been superseded by a newer version. Users should not use version 2.2 except in rare cases (e.g., when reproducing previous studies...

  17. MC2-2: a code to calculate fast neutron spectra and multigroup cross sections

    International Nuclear Information System (INIS)

    Henryson, H. II; Toppel, B.J.; Stenberg, C.G.

    1976-06-01

    MC 2 -2 is a program to solve the neutron slowing down problem using basic neutron data derived from the ENDF/B data files. The spectrum calculated by MC 2 -2 is used to collapse the basic data to multigroup cross sections for use in standard reactor neutronics codes. Four different slowing down formulations are used by MC 2 -2: multigroup, continuous slowing down using the Goertzel-Greuling or Improved Goertzel-Greuling moderating parameters, and a hyper-fine-group integral transport calculation. Resolved and unresolved resonance cross sections are calculated accounting for self-shielding, broadening and overlap effects. This document provides a description of the MC 2 -2 program. The physics and mathematics of the neutron slowing down problem are derived and detailed information is provided to aid the MC 2 -2 user in preparing input for the program and implementation of the program on IBM 370 or CDC 7600 computers

  18. Antifungal Activity of (+-2,2’-Epicytoskyrin A and Its Membrane-Disruptive Action

    Directory of Open Access Journals (Sweden)

    Dewi Wulansari

    2016-12-01

    Full Text Available (+-2,2’-Epicytoskyrin A, a bis-anthraquinone isolated from fungal endophyte Diaporthe sp. GNBP-10 associated with Uncaria gambir Roxb., was investigated for its antifungal activity. The broth microdilution method was used to determine the minimum inhibitory concentration (MIC against 22 yeast strains and three filamentous fungi. The MICs of (+-2,2’-epicytoskyrin A ranged from 16 to 128 µg/mL, which exhibited lower activity than the antifungal nystatin. A study of the mechanism of action revealed similar effects of (+-2,2’-epicytoskyrin A and nystatin on Candida tropicalis at their MICs (16 and 8 µg/mL, respectively and 2 times of the MIC. Both compounds caused cytoplasmic material and ion leakages on fungal cell, which were characterized by an increase in absorbance at 260 nm and 280 nm as well as Ca2+ and K+ ion concentrations. The morphology of the fungal cells after (+-2,2’-epicytoskyrin A treatment was observed under a scanning electron microscope. The control cells, which were not treated with either (+-2,2’-epicytoskyrin A or nystatin, showed a smooth surface, while the cells treated with either (+-2,2’-epicytoskyrin A or nystatin shrank and displayed a donut-like shape. More shrinkage was observed in the 2 times MIC concentration and even more in the cells exposed to nystatin. The action of (+-2,2’-epicytoskyrin A was proposed through membrane disruption.

  19. Nuclear import of Nkx2-2 is mediated by multiple pathways

    International Nuclear Information System (INIS)

    Lin, Wenbo; Xu, PengPeng; Guo, YingYing; Jia, Qingjie; Tao, Tao

    2017-01-01

    Nkx2-2 homeoprotein is essential for the development of the central nervous system and pancreas. Although the nuclear localization signals of Nkx2-2 have been identified, the responsible transport receptor is still unknown. Here, we demonstrate that imp α1 not only interacts with Nkx2-2 but also transports it into the nucleus in vitro by acting together with imp β1. However, the nuclear import of Nkx2-2 in cells was not inhibited in response to knockdown expression of endogenous imp β1 or over-expression of Bimax2. Furthermore, imp β1 and imp 13, but not imp 4, directly interact with Nkx2-2 and are capable of transporting Nkx2-2 in an in vitro import assay. By GST pull-down assay, we demonstrate that mutation of NLS1 or NLS2 has no effect on interaction with imp α1 or imp 13, but significantly reduced binding to imp β1. Thus, the nuclear import of Nkx2-2 is mediated not only by the classical import pathway but also directly by imp β1 or imp 13.

  20. Representations of the ultrahyperbolic BMS group UHB(2, 2). I. General Results

    International Nuclear Information System (INIS)

    Melas, Evangelos

    2015-01-01

    The ordinary Bondi—Metzner—Sachs (BMS) group B is the common asymptotic symmetry group of all radiating, asymptotically flat, Lorentzian space—times. As such, B is the best candidate for the universal symmetry group of General Relativity (G.R.). However, in studying quantum gravity, space—times with signatures other than the usual Lorentzian one, and complex space-times, are frequently considered. Generalisations of B appropriate to these other signatures have been defined earlier. In particular, the generalisation B(2, 2) appropriate to the ultrahyperbolic signature (+,+, —,—) has been described in detail, and the study of its irreducible unitary representations (IRs) of B(2, 2) has been initiated. We continue this programme by introducing a new group UHB(2, 2) in the group theoretical study of ultrahyperbolic G.R. which happens to be a proper subgroup of B(2, 2). In this paper we report on the first general results on the representation theory of UHB(2, 2). In particular the main general results are that the all little groups of UHB(2, 2) are compact and that the Wigner—Mackey's inducing construction is exhaustive despite the fact that UHB(2, 2) is not locally compact in the employed Hilbert topology. (paper)

  1. Reduction potentials for 2,2'-bipyridine and 1,10-phenanthroline couples in aqueous solutions

    International Nuclear Information System (INIS)

    Krishnan, C.V.; Creutz, C.; Schwarz, H.A.; Sutin, N.

    1983-01-01

    From pulse-radiolysis studies of 2,2'-bipyridine (bpy), 1,10-phenanthroline (phen), and 4,4'-dimethyl-2,2'-bipyridine ((CH 3 ) 2 bpy) and an analysis of the pH and free-energy dependence of the rate constants for quenching of poly(pyridine)-ruthenium(II) excited states by the above aromatic amines (L) and their protonated counterparts (LH + , LH 2 2+ ), the following parameters concerning L and its one-electron reduction product L - have been deduced at 25 0 C: for L = bpy, pK/sub a/(LH 2 2+ ) = 0.05, pK/sub a/(LH + ) = 4.4, pK/sub a/(LH 2 + ) = 8.0, pK/sub a/(LH) approx. = 24, E 0 (LH 2 2+ -LH 2 + ) = -0.50 V, E 0 (LH + -LH) = -0.97 V; for L = phen, pK/sub a/(LH 2 2+ ) = -0.2, pK/sub a/(LH + ) = 4.9, pK/sub a/(LH) approx. = 24, E 0 (LH 2 2+ -LH 2 + ) = -0.47 V, E 0 (LH + -LH) = -0.85 V; and for L = (CH 3 ) 2 bpy, pK/sub a/(LH 2 2+ ) = 0.68, pK/sub a/(LH 2 + ) = 9.3, pK/sub a/(LH) approx. = 25, E 0 (LH 2 2+ -LH 2 + ) = -0.54 V, E 0 (LH + -LH) = -1.05 V. The reduction potentials and other electron-transfer parameters of these and related couples are discussed. 29 references, 7 figures, 4 tables

  2. Simultaneous analysis of FDG, ClDG and Kryptofix 2.2.2 in [18F]FDG preparation by high-performance liquid chromatography with UV detection

    International Nuclear Information System (INIS)

    Nakao, Ryuji; Ito, Takehito; Yamaguchi, Masatoshi; Suzuki, Kazutoshi

    2008-01-01

    A practical, sensitive and rapid analytical method was established and validated for chemical impurity tests of 2-deoxy-2-fluoro-D-glucose (FDG), 2-deoxy-2-chloro-D-glucose (ClDG) and Kryptofix 2.2.2 (K-222) in [ 18 F]FDG. This method was based on precolumn derivatization with ultraviolet (UV) detection. FDG and ClDG were rapidly derivatized with 1-phenyl-3-methyl-5-pyrazolone in the presence of borate buffer at 40 o C, and the labeled derivatives and K-222 were separated by reversed-phase high-performance liquid chromatography and monitored by UV absorbance at 210 nm. After optimization of the conditions, FDG, ClDG and K-222 could be determined within 15 min and showed good performance in terms of sensitivity, linearity and reproducibility. This method could be successfully applied to the quality control test of [ 18 F]FDG produced by a commercially available apparatus

  3. Thermodynamic properties of binary mixtures of 2,2,2-trifluoroethanol with water or alkanols at T=298.15K

    International Nuclear Information System (INIS)

    Minamihonoki, Takashi; Ogawa, Hideo; Nomura, Hiroyasu; Murakami, Sachio

    2007-01-01

    Excess molar enthalpies (H m E ) and excess molar volume (V m E ) at T=298.15K for binary mixtures of {2,2,2-trifluoroethanol (TFE)+water or alcohols (methanol, ethanol, 1-propanol)} were obtained by calorimetry and densimetry. Excess molar enthalpies for the (TFE+water) system showed endothermic mixing, except for the low TFE concentration range (x 1 C ). Excess molar volumes were positive over the whole range of concentration and increase with n C . Moreover, we estimated excess partial molar enthalpy (H m,i E,∼ ) and volume (V m,i E,∼ ) at infinite dilution from the experimental results. These results were discussed qualitatively from the viewpoint of the intermolecular interactions in the pure component liquids and the mixtures

  4. Analogues of the muscarinic agent 2'-methylspiro[1-azabicyclo[2.2.2]octane-3,4'-[1,3]dioxolane]: synthesis and pharmacology.

    Science.gov (United States)

    Nordvall, G; Sundquist, S; Glas, G; Gogoll, A; Nilvebrant, L; Hacksell, U

    1992-05-01

    A number of tetrahydrofuran analogues of 2'-methylspiro[1-azabicyclo[2.2.2]octane-3,4'-[1,3]dioxolane] (1) have been prepared with the aim to obtain information about the relative importance of each of the oxygens in 1 for efficacy and for selectivity. In addition, the dimethyl and desmethyl analogues of 1 were prepared. The new compounds were compared to cis- and trans-1 with regard to their ability to displace (-)-[3H]-3-quinuclidinyl benzilate ((-)-[3H]QNB) from muscarinic receptors in cerebral cortex, heart, parotid gland, and urinary bladder from guinea pigs. Functional studies were made on isolated guinea pig bladder and ileum. The new compounds exhibited both lower affinity and efficacy than cis-1. A conformational study was performed, and the effects of steric and electronic factors on the biological activity of the compounds are discussed.

  5. Bis{bis[1-methoxy-2-(2-methoxyethoxyethane-κ3O,O′,O′′]sodium} 1,1,2,2-tetraphenylethane-1,2-diide

    Directory of Open Access Journals (Sweden)

    Mikhail E. Minyaev

    2014-07-01

    Full Text Available Crystals of the title salt, [Na(C6H14O32]2(C26H20, were grown from a tetrahydrofuran/diglyme/Et2O solvent mixture [diglyme is 1-methoxy-2-(2-methoxyethoxyethane]. The cations and dianion are separated in the crystal structure, unlike in the other three structurally characterized dialkali metal tetraphenylethylene salts. The asymmetric unit contains one [Na(diglyme2]+ cation and one half of the [Ph2CCPh2]2− dianion. The latter lies on a twofold rotation axis. C—C bond-length redistribution displays that excessive electron density of the dianion is predominantly located at the C atoms of a former double bond and at all eight ortho positions. The studied crystal was a twin, with the ratio of two major components being 0.2143 (9:0.7857 (9. The twin operation is a twofold rotation around the a axis.

  6. The Oxidation of 2-(2-Methoxyethoxyethanol and 2-(2-Ethoxyethoxyethanol by Ditelluratocuprate(III: A Kinetic and Mechanistic Study

    Directory of Open Access Journals (Sweden)

    Jin-huan Shan

    2013-01-01

    Full Text Available The oxidation of 2-(2-methoxyethoxyethanol (MEE and 2-(2-ethoxyethoxyethanol (EEE by ditelluratocuprate(III (DTC had been studied spectrophotometrically in alkaline medium. The reaction between and showed first-order dependence in DTC and fractional order in MEE and EEE. The rate constant of the pseudo-first-order reaction decreased with an increase of [TeO4  2−], whereas adding [OH−] enhanced the constant. In addition, the reaction had a negative salt effect. The rate of EEE was higher than that of MEE. A suitable assumption involving preequilibriums before the rate-controlling step and a free radical mechanism was proposed, based on the kinetic data. Activation parameters and the rate constant of the rate-determining step were calculated.

  7. Linear chain compounds of molybdenum (II) acetate linked by pyrazine, 4,4'-bipyridine, and 1,4-diazabicyclo[2.2.2]octane

    International Nuclear Information System (INIS)

    Handa, Makoto; Yamada, Kori; Nakao, Tadahiro; Matsumoto, Hiroki; Kasuga, Kuninobu; Mikuriya, Masahiro; Kotera, Takanori.

    1995-01-01

    A series of linear-chain complexes of molybdenum (II) acetate linked by bidentate bridging ligands, [Mo 2 (O 2 CCH 3 ) 4 L] n (L=pyrazine (pyz), 4,4'-bipyridine (4,4'-bpy), and 1,4-diazabicyclo[2.2.2]octane (dabco)), have been prepared, and their crystal structures determined by an X-ray diffraction method. It has been shown that the relatively weak coordinations of the bridging ligands at the axial positions of Mo 2 (O 2 CCH 3 ) 4 (Mo-N=2.619 (8)-2.658(6) A) can effectively control the arrangement of the dimer units to give chain structures with good linearities. No significant interactions between the dimer units have been observed. (author)

  8. Synthesis and Crystal Structure of a 4,4'-bipyridine Linked Dinuclear Copper(II) Complex Derived from 2-{[2-(2-hydroxyethylamino)ethylimino]methyl}-6-methylphenol.

    Science.gov (United States)

    Zhang, Xiu-Zhen; Gu, Yitong; Li, Yuntong; Liu, Andong; Liu, Fuyao; You, Zhonglu; Zhu, Hai-Liang

    2016-12-01

    A novel 4,4'-bipyridine linked dinuclear copper(II) complex, [Cu2L2(bipy)](NO3)2·bipy (L = 2-[2-(2-hydroxyethylamino) ethylimino]methyl-6-methylphenol; bipy = 4,4'-bipyridine), was prepared and characterized by elemental analyses, IR spectroscopy, and single-crystal X-ray diffraction. The Cu···Cu distance is 11.129(2) Å. The CuII atom is coordinated by one phenolate O, one imine N, and one amine N atoms of a Schiff base ligand, and one N atom of the bridging 4,4'-bipyridine ligand, forming a square planar geometry. In the crystal structure of the complex, the dinuclear copper complex cations are linked by 4,4'-bipyridine molecules through intermolecular O-H···N hydrogen bonds, to form 1D chains running in the [2 0 -1] direction.

  9. 14N NQR study of hydrogen bonded complexes of 1,4 diazabicyclo [2,2,2] octane (ted) with phenols and thiourea

    Science.gov (United States)

    Murgich, Juan; Magaly, Santana R.; Diaz, Olga E.

    The 14N NQR spectra of H bonded complexes of 1,4 diazabicyclo [2,2,2] octane, also known as triethylenediamine (TED), with phenol (1:2), p-chlorophenol (1:2), p-nitrophenol (1:2), hydroquinone (1:1), resorcinol (1:1) and thiourea (1:2) were observed at 77 K. The 14N frequency shifts produced by the H bonds in the TED complexes were approximately two times larger than those found for similar complexes of Hexamethylenetetramine (HMT). Such change was explained by the effect on the remaining N atoms of the increase in the number of -CH 2- groups and the decrease in N atoms in passing from HMT to TED. From the above results it seems that the inductive effect plays an important role in the formation of H bonds in tertiary amines like HMT and TED.

  10. 1D Cu(II) coordination polymer derived from 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl)benzenesulfonate chelator and pyrazine spacer

    Science.gov (United States)

    Mahmudov, Kamran T.; Haukka, Matti; Sutradhar, Manas; Mizar, Archana; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.

    2013-02-01

    Reaction of 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl)benzenesulfonic acid (H2L) with copper(II) nitrate hydrate in the presence of pyrazine (pz) in methanol affords the coordination polymer [Cu2(μ-L)2(H2O)2(μ-pz)]n (1), where the bidentate pz molecule links two Cu(II) centres of two different dimeric units, giving rise to a one-dimensional chain. The dimeric unit [Cu2(μ-L)2(H2O)2] consists of two distorted octahedral Cu(II) centres connected via oxygen atoms of the sulfo group of the bridging L2- ligand. The extensive hydrogen bonding between the coordinated water and pz molecules leads to the formation of a supramolecular 3D associate. Compound 1 has been characterized by elemental analysis, ESI-MS, IR spectroscopy and single-crystal X-ray diffraction analysis.

  11. Product study of 1-adamantyl and 1-bicyclo[2.2.2]octyl radicals in hydrocarbon solvents. An unusually large hydrogen isotope effect

    International Nuclear Information System (INIS)

    Engel, P.S.; Chae, W.K.; Baughman, S.A.; Marschke, G.E.; Lewis, E.S.; Timberlake, J.W.; Luedtke, A.E.

    1983-01-01

    1-Adamantyl (ada.) and 1-bicyclo[2.2.2]octyl (bo.) radicals have been generated by photolysis of the corresponding azoalkanes in various hydrocarbon solvents. Both radicals abstract hydrogen readily from saturated hydrocarbons and they add to aromatic rings much faster than tert-butyl. does. Despite its reactivity, ada. is remarkably selective in hydrogen atom abstraction, preferring a benzylic hydrogen 25:1 over a cyclohexane hydrogen. The effect of solvent viscosity indicates that formation of the radical dimers biada and bibo occurs in the solvent cage. The most striking result of this work is a deuterium isotope effect of 25 for hydrogen transfer from cyclohexane to ada. at 65 0 C. Steric compression in the transition state is postulated to cause an unusually large tunnel correction and hence a large k/sub H//k/sub D/. 6 tables

  12. 2,2,2-Trifluoroethyl methacrylate-graft-natural rubber: Synthesis and application as compatibilizer in natural rubber/fluoroelastomer blends

    Energy Technology Data Exchange (ETDEWEB)

    Hinchiranan, N., E-mail: nhn78@hotmail.com [Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Wannako, P. [Program in Petrochemistry and Polymer Science, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Paosawatyanyong, B. [Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Prasassarakich, P. [Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand)

    2013-05-15

    The incompatibility and immiscibility of natural rubber (NR)/fluoroelastomers (FKM) blends were improved by incorporation of a graft copolymer synthesized from the free radical graft copolymerization of 2,2,2-trifluoroethyl methacrylate (TFEM) onto NR initiated by benzoyl peroxide via a melt-mixing process. The grafting properties were investigated as functions of the initiator and monomer concentrations, reaction temperature and time. At the optimal conditions, the obtained graft NR (GNR) purified by Soxhlet extraction contained a maximum grafting efficiency of 1.34% with 49.1% monomer conversion. The structure of the purified GNR was analyzed using attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) and nuclear magnetic resonance spectroscopy ({sup 1}H NMR and {sup 19}F NMR). The gross GNR was then applied as the compatibilizer for NR/FKM vulcanizates (20/80 (w/w)) cured by peroxide vulcanization. The addition of GNR at 15 parts per hundred of rubber (phr) gave a vulcanizate with the highest tensile strength (9.93 MPa), some 5.31-fold higher than that of the incompatibilized one (1.87 MPa). This is likely to be due to the higher degree of homogeneity of the constituent phases in the GNR-compatibilized blends, as observed by scanning electron microscopy (SEM). The GNR-compatibilized NR/FKM vulcanizates were also resistant to gasohol E85 (85% (w/w) of ethanol). Highlights: ► 2,2,2-Trifluoroethyl methacrylate could be grafted on NR via melt-mixing process. ► Effect of grafting parameters on grafting efficiency and gel content was observed. ► NR/FKM containing graft NR had higher tensile strength than uncompatibilized ones. ► The compatibilized NR/FKM vulcanizates had higher gasohol-swelling resistance.

  13. 12,12′-[2,2′-Oxybis(ethane-2,1-diylbis(oxy]bis[(Rp-4-bromo[2.2]paracyclophane

    Directory of Open Access Journals (Sweden)

    Bing Hong

    2011-04-01

    Full Text Available The title compound, C36H36Br2O3, was synthesized from (Rp-4-bromo-12-hydroxy[2.2]paracyclophane and oxydiethane-2,1-diyl bis(4-methylbenzenesulfonate. The crystal packing exhibits a short O...Br interaction [Br...O = 3.185 (3 Å] and a weak intermolecular C—H...O contact.

  14. Utility of Lithium in Rare-Earth Metal Reduction Reactions to Form Nontraditional Ln2+ Complexes and Unusual [Li(2.2.2-cryptand)]1+ Cations.

    Science.gov (United States)

    Huh, Daniel N; Darago, Lucy E; Ziller, Joseph W; Evans, William J

    2018-02-19

    The utility of lithium compared to other alkali metals in generating Ln 2+ rare-earth metal complexes via reduction of Ln 3+ precursors in reactions abbreviated as LnA 3 /M (Ln = rare-earth metal; A = anionic ligand; M = alkali metal) is described. Lithium reduction of Cp' 3 Ln (Cp' = C 5 H 4 SiMe 3 ; Ln = Y, Tb, Dy, Ho) under Ar in the presence of 2.2.2-cryptand (crypt) forms new examples of crystallographically characterizable Ln 2+ complexes of these metals, [Li(crypt)][Cp' 3 Ln]. In each complex, lithium is found in an N 2 O 4 donor atom coordination geometry that is unusual for the cryptand ligand. Magnetic susceptibility data on these new examples of nontraditional divalent lanthanide complexes are consistent with 4f n 5d 1 electronic configurations. The Dy and Ho complexes have exceptionally high single-ion magnetic moments, 11.35 and 11.67 μ B , respectively. Lithium reduction of Cp' 3 Y under N 2 at -35 °C forms the Y 2+ complex (Cp' 3 Y) 1- , which reduces dinitrogen upon warming to room temperature to generate the (N 2 ) 2- complex [Cp' 2 Y(THF)] 2 (μ-η 2 :η 2 -N 2 ). These results provide insight on the factors that lead to reduced dinitrogen complexes and/or stable divalent lanthanide complexes as a function of the specific reducing agent and conditions.

  15. Vibrational study, crystal structure and quantum calculations of 2,2'-azobipyridine and 4,4'-dimethyl-3,3'-dinitro-2,2'-azobipyridine

    International Nuclear Information System (INIS)

    Kucharska, E.; Hanuza, J.; Waskowska, A.; Talik, Z.

    2004-01-01

    Synthesis of 2,2'-azobipyridine and 4,4'-dimethyl-3,3'-dinitro-2,2'-azobipyridine is described. The X-ray structure of the later compound is reported and discussed in terms of its molecular structure with a particular attention to the conformation of the azo-bond and intermolecular C-H?O bonds. The crystal is monoclinic, space group P2 1 /c, with the unit cell parameters a = 12.388(2), b = 14.983(3), c 7.370(1) A, and β = 102.49(3) deg . The asymmetric unit consists of two 3-nitro-4-methyl-pyridine units linked by the -N=N- diazene bond. The pyridine rings are planar. The methyl carbon and the N atom of the nitro groups, substituted to the ring, are lying approximately in the plane. In the crystal structure the molecules are arranged in dimers due to the hydrogen bonding between the methyl group and the oxygen of the nitro group of the molecule related by a centre of symmetry. Fourier transform IR and Raman spectra of this compound have been measured and compared to the spectra of 2,2'-azobipyridine. The 6-31G basis set with the B3LYP and MPW1PW31 functionals have been used to discuss the structure and dynamics of the compounds studied

  16. Kinetics of periodate oxidation of tris -(4,4'-dimethyl-2,2'-bipyridine ...

    African Journals Online (AJOL)

    dimethyl-2,2'-bipyridine) iron(II) in acid medium was investigated. The complex undergoes extensive protonation in acid medium. Both protonated and the unprotonated species undergo electron transfer reaction with the active periodate species ...

  17. A role for E2-2 at the DN3 stage of early thymopoiesis

    DEFF Research Database (Denmark)

    Wikström, Ingela; Forssell, Johan; Penha-Goncalves, Mario N

    2008-01-01

    Roles for the E-proteins E2A and HEB during T lymphocyte development have been well established. Based on our previous observations of counter selection against T cells lacking E2-2, it seemed reasonable to assume that there would be a function also for E2-2 in thymocyte development. Aiming...... proteins, Id2 displayed a prominent expression exclusively in DN1, whereas Id3 showed some expression in DN1, followed by a down regulation and then a prominent induction, peaking in the DP stage. E2-2 was expressed during the DN stages, as well as in the DP stage, suggesting that E2-2 operates in concert...

  18. The extraction of "2"2"9Th"3"+ from a buffer-gas stopping cell

    International Nuclear Information System (INIS)

    Wense, L. von der; Seiferle, B.; Laatiaoui, M.; Thirolf, P.G.

    2016-01-01

    In the whole landscape of atomic nuclei, "2"2"9Th is currently the only known nucleus which could allow for the development of a nuclear-based frequency standard, as it possesses an isomeric state of just 7.6 eV energy above the ground state. The 3+ charge state is of special importance in this context, as Th"3"+ allows for a simple laser-cooling scheme. Here we emphasize the direct extraction of triply-charged "2"2"9Th from a buffer-gas stopping cell. This finding will not only simplify any future approach of "2"2"9Th ion cooling, but is also used for thorium-beam purification and in this way provides a powerful tool for the direct identification of the "2"2"9Th isomer to ground state nuclear transition.

  19. JABAWS 2.2 distributed web services for Bioinformatics: protein disorder, conservation and RNA secondary structure.

    Science.gov (United States)

    Troshin, Peter V; Procter, James B; Sherstnev, Alexander; Barton, Daniel L; Madeira, Fábio; Barton, Geoffrey J

    2018-06-01

    JABAWS 2.2 is a computational framework that simplifies the deployment of web services for Bioinformatics. In addition to the five multiple sequence alignment (MSA) algorithms in JABAWS 1.0, JABAWS 2.2 includes three additional MSA programs (Clustal Omega, MSAprobs, GLprobs), four protein disorder prediction methods (DisEMBL, IUPred, Ronn, GlobPlot), 18 measures of protein conservation as implemented in AACon, and RNA secondary structure prediction by the RNAalifold program. JABAWS 2.2 can be deployed on a variety of in-house or hosted systems. JABAWS 2.2 web services may be accessed from the Jalview multiple sequence analysis workbench (Version 2.8 and later), as well as directly via the JABAWS command line interface (CLI) client. JABAWS 2.2 can be deployed on a local virtual server as a Virtual Appliance (VA) or simply as a Web Application Archive (WAR) for private use. Improvements in JABAWS 2.2 also include simplified installation and a range of utility tools for usage statistics collection, and web services querying and monitoring. The JABAWS CLI client has been updated to support all the new services and allow integration of JABAWS 2.2 services into conventional scripts. A public JABAWS 2 server has been in production since December 2011 and served over 800 000 analyses for users worldwide. JABAWS 2.2 is made freely available under the Apache 2 license and can be obtained from: http://www.compbio.dundee.ac.uk/jabaws. g.j.barton@dundee.ac.uk.

  20. Dehydriding reaction of Mg(NH2)2-LiH system under hydrogen pressure

    International Nuclear Information System (INIS)

    Aoki, M.; Noritake, T.; Kitahara, G.; Nakamori, Y.; Towata, S.; Orimo, S.

    2007-01-01

    The dehydriding and structural properties of the 3Mg(NH 2 ) 2 + 12LiH system under hydrogen pressure were investigated using the pressure-composition (p-c) isotherm measurement and X-ray diffraction (XRD) analysis. Two distinct regions, a plateau region and a sloping region, can be seen on the p-c isotherms and the amount of the desorbed hydrogen at 523 K was 4.9 mass%. The enthalpy of hydrogenation calculated using a van't Hoff plot was -46 kJ/mol H 2 . The dehydriding reaction was proposed for the 3Mg(NH 2 ) 2 + 12LiH system based on the obtained p-c isotherms and XRD profiles and chemical valences of Li, Mg, N, and H. In the plateau region on the p-c isotherm, Mg(NH 2 ) 2 , Li 4 Mg 3 (NH 2 ) 2 (NH) 4 (tetragonal), and LiH phases coexist and the molar ratio of the Li 4 Mg 3 (NH 2 ) 2 (NH) 4 phase increases (while those of Mg(NH 2 ) 2 and LiH phases decrease) with the amount of the desorbed hydrogen. On the other hand, the mixture of Li 4+x Mg 3 (NH 2 ) 2-x (NH) 4+x + (8-x)LiH (0 ≤ x ≤ 2) is formed and the lattice volume of the Li 4+x Mg 3 (NH 2 ) 2-x (NH) 4+x phase continuously increases with the amount of the desorbed hydrogen in the sloping region on the p-c isotherm

  1. 4,4’-Bis(4-octylphenoxy-2,2’-bipyridine

    Directory of Open Access Journals (Sweden)

    Zhen-Ting Du

    2009-12-01

    Full Text Available 4,4’-Bis(4-octylphenoxy-2,2’-bipyridine which can be used in complexes of ruthenium was synthesized. This ligand bears a long chain for the purpose of increasing the solubility of the final complex. The synthesis was achieved through a nucleophilic aromatic substitution reaction of 4,4’-bromo-2,2’-bipyridine and 4-octylphenol.

  2. 4,4’-Bis(4-octylphenoxy)-2,2’-bipyridine

    OpenAIRE

    Zhen-Ting Du; Jun-Ru Wang; Ru Liu; Yan Xu

    2009-01-01

    4,4’-Bis(4-octylphenoxy)-2,2’-bipyridine which can be used in complexes of ruthenium was synthesized. This ligand bears a long chain for the purpose of increasing the solubility of the final complex. The synthesis was achieved through a nucleophilic aromatic substitution reaction of 4,4’-bromo-2,2’-bipyridine and 4-octylphenol.

  3. On the Representation Theory of the Ultrahyperbolic BMS group UHB(2, 2). I. General Results

    International Nuclear Information System (INIS)

    Melas, Evangelos

    2015-01-01

    The Bondi-Metzner-Sachs (BMS) group B is the common asymptotic group of all asymptotically flat (lorentzian) space-times, and is the best candidate for the universal symmetry group of General Relativity (G.R.). B admits generalizations to real space-times of any signature, to complex space-times, and supersymmetric generalizations for any space- time dimension. With this motivation McCarthy constructed the strongly continuous unitary irreducible representations (IRs) of B some time ago, and he identified B(2,2) as the generalization of B appropriate to the to the 'ultrahyperbolic signature' (+,+,−,−) and asymptotic flatness in null directions. We continue this programme by introducing a new group UHB(2, 2) in the group theoretical study of ultrahyperbolic G.R. which happens to be a proper subgroup of B(2, 2). In this short paper we report on the first general results on the representation theory of UHB(2, 2). In particular the main general results are that the all little groups of UHB(2, 2) are compact and that the Wigner-Mackey's inducing construction is exhaustive despite the fact that UHB(2, 2) is not locally compact in the employed Hilbert topology. At the end of the paper we comment on the significance of these results

  4. First results on the representation theory of the Ultrahyperbolic BMS group UHB(2, 2)

    International Nuclear Information System (INIS)

    Melas, Evangelos

    2016-01-01

    The Bondi–Metzner–Sachs (BMS) group B is the common asymptotic group of all asymptotically flat (lorentzian) space–times, and is the best candidate for the universal symmetry group of General Relativity (G.R.). B admits generalizations to real space–times of any signature, to complex space–times, and supersymmetric generalizations for any space— time dimension. With this motivation McCarthy constructed the strongly continuous unitary irreducible representations (IRs) of B some time ago, and he identified B(2,2) as the generalization of B appropriate to the to the ultrahyperbolic signature (+,+,−,−) and asymptotic flatness in null directions. We continue this programme by introducing a new group UHB(2, 2) in the group theoretical study of ultrahyperbolic G.R. which happens to be a proper subgroup of B(2, 2). We report on the first general results on the representation theory of UHB(2, 2). In particular the main general results are that the all little groups of UHB(2, 2) are compact and that the Wigner–Mackeys inducing construction is exhaustive despite the fact that UHB(2, 2) is not locally compact in the employed Hilbert topology. (paper)

  5. Identification of Serratia marcescens SE1 and determination of its Herbicide 2,2-dichloropropionate (2,2-DCP Degradation Potential

    Directory of Open Access Journals (Sweden)

    Abel, E.

    2012-01-01

    Full Text Available Aims: The goal of the study is to isolate species of bacteria that capable of utilizing 2,2-dichloropropionic acid (2,2-DCP as sole carbon source from soil sample collected from surrounding lake water located in Universiti Teknologi Malaysia, Skudai, Johor. Methodology and Results: Genomic DNA from bacterium SE1 was extracted and PCR amplification was carried out using universal primers, Fd1 (5’ - AGA GTT TGA TCC TGGCTC AG - 3’ and rP1 (5’- ACG GTC ATA CCT TGT TAC GAC TT - 3’ before sending for sequencing. The 16S rDNA nucleotide sequences were compared with Basic Local Alignment Search Tool nucleotide (BLASTn and further analyzed using phylogenetic tree of Neighbour-Joining method (MEGA 5. Phylogenetic analysis indicated that SE1 strain clearly shared 97% homology to the genus of Serratia marcescens and therefore designated as Serratia marcescens sp. SE1. SE1 exhibited the ability to utilize 2,2-DCP as sole carbon source at 20 mM concentration with cell doubling time of 5 h and maximum chloride ion release of 38 μmolCl-/mL. This result suggests that the dehalogenase enzyme present in the bacteria has high affinity towards the substrate. Based on morphological and partial biochemical characteristics, strain SE1 was a non-motile Gram negative bacterium with red colonies, that gave a catalase positive reaction. Conclusion, significance and impact of study: A better understanding of dehalogenases enzyme produce by this S. marcescens sp. SE1 in general will be useful to be used as bioremediation tools for environmental management. This is the first reported case that Serratia sp. has the ability to degrade halogenated compound.

  6. Synthesis of the Novel 4,4?- and 6,6?- Dihydroxamic - 2,2?-Bipyridines and Improved Routes to 4,4?- and 6,6?- Substituted 2,2?-Bipyridines and Mono-N-Oxide-2,2?-Bipyridine

    Directory of Open Access Journals (Sweden)

    Donnici Claudio Luis

    1998-01-01

    Full Text Available The preparation of key precursors for many 2,2?-bipyridine derivatives such as 4,4?-dicarboxy- 2,2?-bipyridine (I, 6,6?-dicarboxy-2,2?-bipyridine- acid (II, 4,4?-dinitro-2,2?-bipyridine-N,N-dioxide (III, 6,6?-dicarbothioamide-2,2?-bipyridine (IV and mono-N-oxide-2,2?-bipyridine (VII through more efficient methods is described. The syntheses of the novel ligands 4,4?-dihydroxamic-2,2?-bipyridine (V and 6,6?-dihydroxamic-2,2?-bipyridine (VI are also reported.

  7. Effects of ALDH2*2 on Alcohol Problem Trajectories of Asian American College Students

    Science.gov (United States)

    Luczak, Susan E.; Yarnell, Lisa M.; Prescott, Carol A.; Myers, Mark G.; Liang, Tiebing; Wall, Tamara L.

    2014-01-01

    The variant aldehyde dehydrogenase allele, ALDH2*2, consistently has been associated with protection against alcohol dependence, but the mechanism underlying this process is not known. This study examined growth trajectories of alcohol consumption (frequency, average quantity, binge drinking, maximum drinks) and problems over the college years and then tested whether the ALDH2 genotype mediated or moderated the relationship between alcohol consumption and problems. Asian American college students (N = 433) reported on their drinking behavior in their first year of college and then annually for 3 consecutive years. Alcohol consumption and problems increased over the college years for both those with and without ALDH2*2, but having an ALDH2*2 allele was associated with less of an increase in problems over time. A mediation model was supported, with ALDH2*2 group differences in problems fully accounted for by differences in frequency of binge drinking. Findings also supported a moderation hypothesis: All four alcohol consumption variables were significant predictors of subsequent alcohol problems, but these relationships were not as strong in those with ALDH2*2 as in those without ALDH2*2. Our findings suggest that the interplay between ALDH2*2 and drinking-related problems is complex, involving both mediation and moderation processes that reduce the likelihood of developing problems via reduction of heavy drinking as well as by altering the relationship between alcohol consumption and problems. Results of this longitudinal study provide evidence that what seems like a relatively straightforward effect of a diminished ability to metabolize alcohol on drinking behavior is actually dependent on behavior and developmental stage. PMID:24661165

  8. Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-κN2ethane]nickel(II bis(trifluoromethanesulfonate dihydrate

    Directory of Open Access Journals (Sweden)

    Ganna Lyubartseva

    2013-10-01

    Full Text Available In the title salt, [Ni(C12H14N6O2](CF3SO32·2H2O, the NiII cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-methoxy-2,2,2-tris(pyrazol-1-ylethane ligands in a distorted octahedral geometry. The Ni—N distances range from 2.0594 (12 to 2.0664 (12 Å, intra-ligand N—Ni—N angles range from 84.59 (5 to 86.06 (5°, and adjacent inter-ligand N—Ni—N angles range between 93.94 (5 and 95.41 (5°. In the crystal, inversion-related pyrazole rings are π–π stacked, with an interplanar spacing of 3.4494 (18 Å, forming chains that propagate parallel to the a-axis direction. Intermolecular O—H...O hydrogen bonds are present between water molecules and trifluoromethanesulfonate anions.

  9. Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(PPh2NBn2)2]2+

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Fei; Parkinson, B. A.; Divan, Ralu; Roberts, John; Liang, Yanping

    2016-12-01

    Interdigitated array (IDA) electrodes have been applied to study the EC’ (electron transfer reaction followed by a catalytic reaction) reactions and a new method of quantitative analysis of IDA results was developed. In this new method, currents on IDA generator and collector electrodes for an EC’ mechanism are derived from the number of redox cycles and the contribution of non-catalytic current. And the fractions of bipotential recycling species and catalytic-active species are calculated, which helps understanding the catalytic reaction mechanism. The homogeneous hydrogen evolution reaction catalyzed by [Ni(PPh2NBn2)2]2+ (where PPh2NBn2 is 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) electrocatalyst was examined and analyzed with IDA electrodes. Besides, the existence of reaction intermediates in the catalytic cycle is inferred from the electrochemical behavior of a glassy carbon disk electrodes and carbon IDA electrodes. This quantitative analysis of IDA electrode cyclic voltammetry currents can be used as a simple and straightforward method for determining reaction mechanism in other catalytic systems as well.

  10. Effect of secondary structure on the interactions of peptide T4 LYS (11-36) in mixtures of aqueous sodium chloride and 2,2,2,-Trifluoroethanol

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Camille O.; Spiegelberg, Susanne; Prausnitz, John M.; Blanch, Harvey W.

    2001-10-01

    The potential of mean force for protein-protein interactions is key to the development of a statistical-mechanical model for salt-induced protein precipitation and crystallization, and for understanding certain disease states, including cataract formation and {beta}-amyloid pathology in Alzheimer's disease. Fluorescence anisotropy provides a method for quantitative characterization of intermolecular interactions due to reversible association. Monomer-dimer equilibria for the peptide T4 LYS(11-36) were studied by fluorescence anisotropy. This peptide, derived from the {beta}-sheet region of the T4 lysozyme molecule, has the potential to form amyloid fibrils. 2,2,2-trifluoroethanol (TFE) induces a change in peptide secondary structure, and was used in aqueous solutions at concentrations from 0 to 50% (v/v) at 25 and 37 C to examine the role of peptide conformation on peptide-peptide interactions. The association constant for dimerization increased with rising TFE concentration and with falling temperature. The peptide-peptide potential of mean force was computed from these association constants. Circular-dichroism measurements showed that the secondary structure of the peptide plays an important role in these strong attractive interactions due to intermolecular hydrogen-bond formation and hydrophobic interactions.

  11. Enantioselective Rhodium-Catalyzed [2+2+2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity

    Science.gov (United States)

    Dalton, Derek M.; Oberg, Kevin M.; Yu, Robert T.; Lee, Ernest E.; Perreault, Stéphane; Oinen, Mark Emil; Pease, Melissa L.; Malik, Guillaume; Rovis, Tomislav

    2009-01-01

    This manuscript describes the development and scope of the asymmetric rhodium-catalyzed [2+2+2] cycloaddition of terminal alkynes and alkenyl isocyanates leading to the formation of indolizidine and quinolizidine scaffolds. The use of phosphoramidite ligands proved crucial for avoiding competitive terminal alkyne dimerization. Both aliphatic and aromatic terminal alkynes participate well, with product selectivity a function of both the steric and electronic character of the alkyne. Manipulation of the phosphoramidite ligand leads to tuning of enantio- and product selectivity, with a complete turnover in product selectivity seen with aliphatic alkynes when moving from Taddol-based to biphenol-based phosphoramidites. Terminal and 1,1-disubstituted olefins are tolerated with nearly equal efficacy. Examination of a series of competition experiments in combination with analysis of reaction outcome shed considerable light on the operative catalytic cycle. Through a detailed study of a series of X-ray structures of rhodium(cod)chloride/phosphoramidite complexes, we have formulated a mechanistic hypothesis that rationalizes the observed product selectivity. PMID:19817441

  12. Structure and tunneling dynamics in a model system of peptide co-solvents: Rotational spectroscopy of the 2,2,2-trifluoroethanol⋯water complex

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Javix; Xu, Yunjie, E-mail: yunjie.xu@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada)

    2014-06-21

    The hydrogen-bonding topology and tunneling dynamics of the binary adduct, 2,2,2-trifluoroethanol (TFE)⋯water, were investigated using chirped pulse and cavity based Fourier transform microwave spectroscopy with the aid of high level ab initio calculations. Rotational spectra of the most stable binary TFE⋯water conformer and five of its deuterium isotopologues were assigned. A strong preference for the insertion binding topology where water is inserted into the existing intramolecular hydrogen-bonded ring of TFE was observed. Tunneling splittings were detected in all of the measured rotational transitions of TFE⋯water. Based on the relative intensity of the two tunneling components and additional isotopic data, the splitting can be unambiguously attributed to the tunneling motion of the water subunit, i.e., the interchange of the bonded and nonbonded hydrogen atoms of water. The absence of any other splitting in the rotational transitions of all isotopologues observed indicates that the tunneling between g+ and g− TFE is quenched in the TFE⋯H{sub 2}O complex.

  13. Two complexes of Pt(IV) and Au(III) with 2,2'-dipyridylamine and 2,2'-dipyridylaminide ligands.

    Science.gov (United States)

    Chernyshev, Alexander N; Kukushkin, Vadim Yu; Haukka, Matti

    2014-12-01

    Two noble metal complexes involving ancillary chloride ligands and chelating 2,2'-bipyridylamine (Hdpa) or its deprotonated derivative (dpa), namely [bis(pyridin-2-yl-κN)amine]tetrachloridoplatinum(IV), [PtCl4(C10H9N3)], and [bis(pyridin-2-yl-κN)aminido]dichloridogold(III), [AuCl2(C10H8N3)], are presented and structurally characterized. The metal atom in the former has a slightly distorted octahedral coordination environment, formed by four chloride ligands and two pyridyl N atoms of Hdpa, while the metal atom in the latter has a slightly distorted square-planar coordination environment, formed by two chloride ligands and two pyridyl N atoms of dpa. The difference in conjugation between the pyridine rings in normal and deprotonated 2,2'-dipyridylamine is discussed on the basis of the structural features of these complexes. The influence of weak interactions on the supramolecular structures of the complexes, providing one-dimensional chains of [PtCl4(C10H9N3)] and dimers of [AuCl2(C10H8N3)], are discussed.

  14. Performance analysis of absorption heat transformer cycles using ionic liquids based on imidazolium cation as absorbents with 2,2,2-trifluoroethanol as refrigerant

    International Nuclear Information System (INIS)

    Ayou, Dereje S.; Currás, Moisés R.; Salavera, Daniel; García, Josefa; Bruno, Joan C.; Coronas, Alberto

    2014-01-01

    Highlights: • TFE + [emim][BF 4 ] (or [bmim][BF 4 ]) absorption heat transformer cycles are studied. • Influence of various operating conditions on cycle’s performance is investigated. • Performance comparisons with H 2 O + LiBr and TFE + TEGDME cycles are done. • Enthalpy data for TFE + [emim][BF 4 ] (or [bmim][BF 4 ]) liquid mixtures are calculated. • TFE + [emim][BF 4 ] (or [bmim][BF 4 ]) cycles have higher gross temperature lift (GTL). - Abstract: A detailed thermodynamic performance analysis of a single-stage absorption heat transformer and double absorption heat transformer cycles using new working pairs composed of ionic liquids (1-ethyl-3-methylimidazolium tetrafluoroborate ([emim][BF 4 ]) and 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF 4 ])) as absorbent and 2,2,2-trifluoroethanol (TFE) as refrigerant has been studied. Several performance indicators were used to evaluate and compare the performance of the cycles using the TFE + [emim][BF 4 ] and TFE + [bmim][BF 4 ] working pairs with the conventional H 2 O + LiBr and organic TFE + TEGDME working pairs. The obtained results show that the ionic liquid based working pairs are suitable candidates to replace the conventional H 2 O + LiBr working pairs in order to avoid the disadvantages associated with it mainly crystallization and corrosion and also they perform better (higher gross temperature lift) than TFE + TEGDME working pair at several operating conditions considered in this work

  15. Reaction of singlet-excited 2,3-diazabicyclo[2.2.2]oct-2-ene and tert-butoxyl radicals with aryl-substituted benzofuranones.

    Science.gov (United States)

    Lundgren, Cecilia Vannesjö; Koner, Apurba L; Tinkl, Michael; Pischel, Uwe; Nau, Werner M

    2006-03-03

    5,7-Di-tert-butyl-3-aryl-3H-benzofuran-2-ones are lactones with potential antioxidant activity, owing to their abstractable benzylic C-H hydrogens. The fluorescence quenching of the azoalkane 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO), an established probe for the hydrogen-donor propensity of chain-breaking antioxidants, was investigated for 16 aryl-substituted benzofuranone derivatives [m,m-(CF3)2, p-CN, m-CN, p-CF3, p-COOCH3, m-CF3, p-Cl, p-F, H, m-CH3, p-CH3, m,p-(CH3)2, p-OCH3, o-CH3, o-CF3, o,m-(CH3)2]. Analysis of the rate data in terms of a linear free energy relationship yielded a reaction constant of rho = +0.35. This implies that n,pi*-excited DBO acts as nucleophilic species. In contrast, hydrogen abstraction of tert-butoxyl radicals from the benzofuranones was accelerated by electron-donating substituents (rho = -0.23), in conformity with the electrophilic character of oxygen-centered alkoxyl radicals. Possible implications for the optimization of the hydrogen-donor propensity of antioxidants through structural variation are discussed.

  16. Investigation of the fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by certain substituted uracils

    Energy Technology Data Exchange (ETDEWEB)

    Anbazhagan, V. [School of Chemistry, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India); Renganathan, R. [School of Chemistry, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India)], E-mail: rrengas@yahoo.com

    2009-04-15

    The fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by a series of uracils has been studied in water and acetonitrile solvents using steady-state and time-resolved fluorescence techniques. The steady-state fluorescence quenching technique has been performed in three different pHs (i.e. 4, 8 and 12). The bimolecular quenching rate constant (k{sub q}) increases with increase in pH of uracils. In acidic pH, a pure hydrogen atom abstraction is proposed as the quenching mechanism. This is supported by a pronounced solvent deuterium isotope effect. Electron transfer from the anionic form of uracil to the excited state of DBO is proposed as a mechanism for quenching in basic pH on the basis of highly exergonic thermodynamics obtained from the Rehm-Weller equation. The variation of k{sub q} is explained on the basis of the electronic effect of substitution in uracils as well.

  17. Investigation of the fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by certain substituted uracils

    International Nuclear Information System (INIS)

    Anbazhagan, V.; Renganathan, R.

    2009-01-01

    The fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by a series of uracils has been studied in water and acetonitrile solvents using steady-state and time-resolved fluorescence techniques. The steady-state fluorescence quenching technique has been performed in three different pHs (i.e. 4, 8 and 12). The bimolecular quenching rate constant (k q ) increases with increase in pH of uracils. In acidic pH, a pure hydrogen atom abstraction is proposed as the quenching mechanism. This is supported by a pronounced solvent deuterium isotope effect. Electron transfer from the anionic form of uracil to the excited state of DBO is proposed as a mechanism for quenching in basic pH on the basis of highly exergonic thermodynamics obtained from the Rehm-Weller equation. The variation of k q is explained on the basis of the electronic effect of substitution in uracils as well

  18. Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(PPh2NBn2)2]2+

    International Nuclear Information System (INIS)

    Liu, Fei; Parkinson, B.A.; Divan, Ralu; Roberts, John; Liang, Yanping

    2016-01-01

    Interdigitated array (IDA) electrodes have been applied to study the EC’ (electron transfer reaction followed by a catalytic reaction) reactions and a new method of quantitative analysis of IDA results was developed. In this new method, currents on IDA generator and collector electrodes for an EC’ mechanism are derived from the number of redox cycles and the contribution of non-catalytic current. And the fractions of bipotential recycling species and catalytic-active species are calculated, which helps understanding the catalytic reaction mechanism. The homogeneous hydrogen evolution reaction catalyzed by [Ni(P Ph 2 N Bn 2 ) 2 ] 2+ (where P Ph 2 N Bn 2 is 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) electrocatalyst was examined and analyzed with IDA electrodes. Besides, the existence of reaction intermediates in the catalytic cycle is inferred from the electrochemical behavior of a glassy carbon disk electrodes and carbon IDA electrodes. This quantitative analysis of IDA electrode cyclic voltammetry currents can be used as a simple and straightforward method for determining reaction mechanism in other catalytic systems as well.

  19. Photochemistry of 1 and 2-(2-methylphenyl)-1,6-heptadiene

    International Nuclear Information System (INIS)

    Barrows, R.D.; Hornback, J.M.

    1982-01-01

    In an attempt to synthesize partially saturated phenanthrene derivatives by an intramolecular Diels-Alder reaction between a photochemically produced o-xylylene (diene) and a tethered dienophile, it was found that 1 and 2 underwent a photochemically allowed [2 + 2] cycloaddition. Irradiation of 1 gave 6-(2-methylphenyl)bicyclo[3.2.0]heptane in 86% yield. Upon irradiation of 2, a benzvalene rearrangement of 2 first took place, producing the meta isomer 2-(3-methylphenyl)-1,6-heptadiene, followed by a [2 + 2] photocycloaddition giving 1-(3-methylphenyl)bicyclo[3.2.0]heptane in 15% yield. Direct irradiation of 2-(3-methylphenyl)-1,6-heptadiene gave the same bicyclo derivative as 2 in 34% yield. Examination of the fluorescence spectra of 1 and 2 in comparison with 1-(2-methylphenyl)propene and 2-(2-methylphenyl)-1-butene, respectively, has shown that 1 may be biased toward [2 + 2] cycloaddition where 2 is not biased toward [2 + 2] photocycloization. Attempts to produce 4a-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene by an intramolecular Diels-Alder reaction of the o-xylylene produced by irradiation of 3 will also be described

  20. New hydride compounds of 1,4-diazabicyclo[2.2.2]octane and its dication with borine and tetrahydridoborate anion and products of their transformations; Novye gidridnye soedineniya 1,4-diazabitsiklo[2.2.2]oktana i ego dikationa s borinom i tetergidridoborat-anionom i produkty ikh prevrashcheniya

    Energy Technology Data Exchange (ETDEWEB)

    Shevchenko, Yu N; Yashina, N I; Markova, O Z; Trachevskij, V V

    1997-12-31

    New compounds [dabcoH{sub 2}](BH{sub 4}){sub 2}, dabco(BH{sub 3}){sub 2}2H{sub 2}, [dabco(BH{sub 3}){sub 2}H{sub 2}]{sub n} have been synthesized by means of interaction between dihydrochloride of 1,4-diazobicyclo[2.2.2] octane (dabco) and NaBH{sub 4} in the medium of nonaqueous solvents (glyme, diglyme, tetrahydrofuran, dimethylsulfoxide) and identified by the methods of element analysis, conductometry, {sup 1}H, {sup 11}B, {sup 14}N NMR, IR spectroscopy and thermal analysis. A mechanism is suggested and the conditions are defined for mutual transformations of the compounds studied. Their ability to bind reversibly molecular hydrogen has been revealed for the first time. 19 refs.; 3 figs.; 1 tab.

  1. The 7-azanorbornane nucleus of epibatidine: 7-azabicyclo[2.2.1]heptan-7-ium chloride

    Directory of Open Access Journals (Sweden)

    Sergey N. Britvin

    2017-09-01

    Full Text Available 7-Azabicyclo[2.2.1]heptane (7-azanorbornane is a bridged heterocyclic nucleus found in epibatidine, the alkaloid isolated from the skin of the tropical poison frog Epipedobates tricolor. Since epibatidine is known as one of the most potent acetylcholine nicotinic receptor agonists, a plethora of literature has been devoted to this alkaloid. However, there are no structural data on the unsubstituted 7-azanorbornane, the parent bicyclic ring of epibatidine and its derivatives. We herein present the structural characterization of the 7-azabicyclo[2.2.1]heptane parent ring as its hydrochloride salt, namely 7-azabicyclo[2.2.1]heptan-7-ium chloride, C6H12N+·Cl−. The compete cation is generated by a crystallographic mirror plane with the N atom lying on the mirror, as does the chloride anion. In the crystal, the cations are linked to the anions by N—H...Cl hydrogen bonds, which generate [001] chains.

  2. Positron-Electron Annihilation Process in (2,2)-Difluoropropane Molecule

    Science.gov (United States)

    Liu, Yang; Ma, Xiao-Guang; Zhu, Ying-Hao

    2016-04-01

    The positron-electron annihilation process in (2,2)-difluoropropane molecule and the corresponding gamma-ray spectra are studied by quantum chemistry method. The positrophilic electrons in (2,2)-difluoropropane molecule are found for the first time. The theoretical predictions show that the outermost 2s electrons of fluoride atoms play an important role in positron-electron annihilation process of (2,2)-difiuoropropane. In the present scheme, the correlation coefficient between the theoretical gamma-ray spectra and the experiments can be 99%. The present study gives an alternative annihilation model for positron-electron pair in larger molecules. Supported by the National Natural Science Foundation of China under Grant No. 11347011 and the Natural Science Foundation Project of Shandong Province under Grant No. ZR2011AM010 and 2014 Technology Innovation Fund of Ludong University under Grant Nos. 1d151007 and ld15l016

  3. Thermal expansion of ThO2-2 wt% UO2 by HT-XRD

    International Nuclear Information System (INIS)

    Tyagi, A.K.; Mathews, M.D.

    2000-01-01

    The linear thermal expansion of polycrystalline ThO 2 -2 wt% UO 2 has been investigated from room temperature to 1473 K in flowing helium atmosphere using high temperature X-ray diffractometry. ThO 2 -2 wt% UO 2 shows a marginally higher linear thermal expansion as compared to pure ThO 2 . The average linear and volume thermal expansion coefficients of ThO 2 -2 wt% UO 2 are found to be α-bar a =9.74x10 -6 K -1 and α-bar v =29.52x10 -6 K -1 (298-1473 K). This study will be useful in designing the nuclear reactor fuel assembly based on ThO 2

  4. Real-time pcr (qpcr) assay for rhizoctonia solani anastomoses group ag2-2 iiib

    International Nuclear Information System (INIS)

    Abbas, S.J.; Ahmad, B.

    2014-01-01

    Rhizoctonia solani anastomosis group AG2-2 IIIB is a severe sugar beet and maize pathogen. It causes crown and root rot disease which leads to yield losses world-wide. The soil-borne pathogen is difficult to detect and quantify by conventional methods. We developed a real-time PCR (qPCR) assay for the quantification of genomic DNA of Rhizoctonia solani AG2-2 IIIB based on the ITS region of rDNA genes. The limit of quantification of the assay is 1.8 pg genomic DNA. The amplification efficiency was 96.4. The assay will be helpful in the diagnoses of Rhizoctonia solani infection of sugar beet and maize roots and in the quantification of R. solani AG2-2 IIIB inoculum in plant debris and soil. (author)

  5. Biochemical characterization of Arabidopsis thaliana starch branching enzyme 2.2 reveals an enzymatic positive cooperativity.

    Science.gov (United States)

    Wychowski, A; Bompard, C; Grimaud, F; Potocki-Véronèse, G; D'Hulst, C; Wattebled, F; Roussel, X

    2017-09-01

    Starch Branching Enzymes (SBE) catalyze the formation of α(1 → 6) branching points on starch polymers: amylopectin and amylose. SBEs are classified in two groups named type 1 and 2. Both types are present in the entire plant kingdom except in some species such as Arabidopsis thaliana that expresses two type 2 SBEs: BE2.1 and BE2.2. The present work describes in vitro enzymatic characterization of the recombinant BE2.2. The function of recombinant BE2.2 was characterized in vitro using spectrophotometry assay, native PAGE and HPAEC-PAD analysis. Size Exclusion Chromatography separation and SAXS experiments were used to identify the oligomeric state and for structural analysis of this enzyme. Optimal pH and temperature for BE2.2 activity were determined to be pH 7 and 25 °C. A glucosyl donor of at least 12 residues is required for BE2.2 activity. The reaction results in the transfer in an α(1 → 6) position of a glucan preferentially composed of 6 glucosyl units. In addition, BE2.2, which has been shown to be monomeric in absence of substrate, is able to adopt different active forms in presence of branched substrates, which affect the kinetic parameters. BE2.2 has substrate specificity similar to those of the other type-2 BEs. We propose that the different conformations of the enzyme displaying more or less affinity toward its substrates would explain the adjustment of the kinetic data to the Hill equation. This work describes the enzymatic parameters of Arabidopsis BE2.2. It reveals for the first time conformational changes for a branching enzyme, leading to a positive cooperative binding process of this enzyme. Copyright © 2017 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

  6. 2-(2,3-Dihydro-1H-indol-3-yl)ethanol

    DEFF Research Database (Denmark)

    Frydenvang, Karla Andrea; Sommer, Michael Bech; Heckmann, Dieter

    2004-01-01

    The first direct resolution of racemic 2-(2,3-dihydro-lH-indol-3-yl)ethanol-prepared by catalytic hydrogenation of 2-(lH-indol-3-yl)ethanol-has been accomplished by chiral simulated moving bed (SMB) chromatography. The single enantiomers were isolated as their dihydrogen phosphate salts. Single......-crystal X-ray analyses were successful, revealing that the (+)-enantiomer of 2-(2,3-dihydro-lH-indol-3-yl)ethanol has the (S) configuration. Chirality 16:126-130, 2004....

  7. 2,2',-bipyridine and 1,10-phenanthroline complexes of lanthanide(III) trifluoroacetates

    International Nuclear Information System (INIS)

    Misra, S.N.; Singh, M.

    1983-01-01

    The syntheses and characterization of lanthanide(III) triflloroacetate complexes with 2,2'-bipyridine and 1,10-phenanthroline are reported. Lanthanide(III) trifluoroacetates yield compounds of the type Ln(CF 3 COO) 3 .bipy or phen with 2,2'-bipyridine and 1,10-phenanthroline. Their properties and structures have been studied using chemical analyses. electronic and infrared spectra. Thermal analysis of a few complexes have also been done. The infrared data show that the trifluoroacetate group acts as a bidentate ligand making the coordination number of lanthanide eight. (author)

  8. Chemical Analysis and Simulated Pyrolysis of Tobacco Heating System 2.2 Compared to Conventional Cigarettes.

    Science.gov (United States)

    Li, Xiangyu; Luo, Yanbo; Jiang, Xingyi; Zhang, Hongfei; Zhu, Fengpeng; Hu, Shaodong; Hou, Hongwei; Hu, Qingyuan; Pang, Yongqiang

    2018-01-08

    Tobacco Heating System 2.2 (THS 2.2, marketed as iQOS), is a heat-not-burn (HNB) tobacco product that has been successfully introduced to global markets. Despite its expanding market, few independent and systematic researches into THS 2.2 have been carried out to date. We tested a comprehensive list of total particulate matter (TPM), water, tar, nicotine, propylene glycol, glycerin, carbon monoxide, volatile organic compounds, aromatic amines, hydrogen cyanide, ammonia, N-nitrosamines, phenol, and polycyclic aromatic hydrocarbon under both ISO and HCI regimes. We also simulated pyrolysis of THS 2.2 heating sticks and made comparisons with conventional cigarette tobacco fillers using comprehensive gas chromatography-mass spectrometry (GC × GC-MS) to determine whether the specially designed ingredients help reduce harmful constituents. Other than some carbonyls, ammonia, and N-nitrosoanabasine (NAB), the delivered releases from THS 2.2 were at least 80% lower than those from 3R4F. Tar and nicotine remained almost the same as 3R4F. Interestingly, the normalized yield of THS 2.2 to 3R4F under the HCI regime was lower than under the ISO regime. THS 2.2 delivered fewer harmful constituents than the conventional cigarette 3R4F. Simulated pyrolysis results showed that the lower temperature instead of specially designed ingredients contributed to the distinct shift. In particular, if smoking machines are involved to evaluate the HNB products, smoking regimes of heat-not-burn tobacco products should be carefully chosen. To our knowledge, few independent studies of HNB products have been published. In this paper, a comprehensive list of chemical releases was tested systematically and compared to those from 3R4F. Although THS 2.2 generates lower levels of harmful constituents, the nicotine and tar levels were almost identical to 3R4F.The results should be discussed carefully in the future when assess the dual-use with other conventional cigarettes, nicotine dependence of HNB

  9. The Influence of Substituents on the Tautomerism of Symmetrically Substituted 2,2'-Bis-benzimidazoles

    Directory of Open Access Journals (Sweden)

    Dall'Oglio Evandro

    2002-01-01

    Full Text Available The tautomerism of five symmetrically substituted 2,2'-bis-benzimidazoles [5(6,5'(6'-tetramethyl- (1; 5(6,5'(6'-dimethyl-(2; 5(6,5'(6'-dichloro- (3; 5(6,5'(6'-dimethoxy- (4 and 4(7,4'(7'-dimethyl-2,2'-bis-benzimidazole (5], was studied by means of ¹H NMR spectroscopy at variable temperatures, and the influence of the substituents on the energy barriers for tautomeric interconversion was interpreted with the aid of theoretical calculations.

  10. Haptoglobin 2-2 Genotype, Patient, and Graft Survival in Renal Transplant Recipients

    DEFF Research Database (Denmark)

    Dupont, Laust; Eide, Ivar Anders; Hartmann, Anders

    2017-01-01

    Background: Cardiovascular disease is the leading cause of death in renal transplant recipients. An association between haptoglobin genotype 2-2 and cardiovascular disease has been found in patients with diabetes mellitus and liver transplant recipients. To date, the role of haptoglobin genotype...... after renal transplantation has not been studied. Methods: In this single-center retrospective cohort study of 1975 adult Norwegian transplant recipients, who underwent transplantation between 1999 and 2011, we estimated the risk of all-cause and cardiovascular mortality and overall and death...... transplant recipients, we could not demonstrate any association between haptoglobin 2-2 genotype and patient or graft survival after renal transplantation....

  11. 2,2'-(Carbono-thio-yldisulfanedi-yl)bis-(2-methyl-propanoic acid).

    Science.gov (United States)

    Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C; Tenorio, Juan C; Ellena, Javier

    2013-05-01

    The mol-ecular structure of the title compound, C9H14O4S3, exhibits intra-molecular C-H⋯S hydrogen bonds. In the crystal, pairs of O-H⋯O hydrogen bonds lead to the formation of centrosymmetric dimers, which are in turn connected by weak C-H⋯O inter-actions. The combination of these inter-actions generates edge-fused R 2 (2)(8) and R 2 (2)(20) rings running along [211].

  12. Preparation and Characterization of Dabco (1,4-Diazabicyclo [2.2.2]octane) modified bentonite: Application for Congo red removal

    Science.gov (United States)

    Taher, Tarmizi; Rohendi, Dedi; Mohadi, Risfidian; Lesbani, Aldes

    2018-01-01

    Natural bentonite provided from Sarolangun deposit was modified with 1,4-Diazabicyclo[2.2.2]octane (Dabco) to form a new class of porous material. Prior further modification, the natural bentonite was cleaned up and activated by NaCl to remove the impurities and increase the bentonite nature. Dabco modified bentonite (Dabco-bent) was prepared by exchanging the inorganic cation placed in the interlayer space of the montmorillonite mineral structure with the 0.01 M Dabco1+ at pH 6. The modified bentonite products were characterized using X-Ray powder diffraction and FT-IR to monitor the change of the bentonite crystallinity and function group due to the modification process. The XRD result confirmed that during the modification process, the d(001) of smectite peak at 2q around 6° was shifted. After the modification, the d(001) reflection of the montmorillonite interlayer was shifted 0.36° to the left indicating that the interlayer space of the montmorillonite has been expanded during the modification process. The FTIR spectra of Dabco modified bentonite exhibit no significantly different with the host bentonite. However, the presence of the new band at the wavenumber around 3000 and 2800 cm-1 indicates that the Dabco molecule has been successfully inserted to the bentonite molecule. The Congo red adsorption experiment was performed onto Dabco-bent product by batch technique. The experiment data described that kinetic model for Congo red adsorption onto Dabco-bent was adequately followed the second-order kinetic model and well described by Freundlich adsorption isotherm model.

  13. Design of peptide substrates for nanosecond time-resolved fluorescence assays of proteases: 2,3-diazabicyclo[2.2.2]oct-2-ene as a noninvasive fluorophore.

    Science.gov (United States)

    Hennig, Andreas; Florea, Mara; Roth, Doris; Enderle, Thilo; Nau, Werner M

    2007-01-15

    Fluorescence protease assays were investigated with peptide substrates containing a 2,3-diazabicyclo[2.2.2]oct-2-ene-labeled asparagine (Dbo) as a fluorescent amino acid. The special characteristic of the fluorophore Dbo is its exceedingly long fluorescence lifetime (ca. 300 ns in water under air), which allows the use of nanosecond time-resolved fluorescence (Nano-TRF) detection to efficiently suppress shorter-lived background emission. In addition, the natural amino acids tryptophan and tyrosine can be employed as intramolecular fluorescence quenchers, which facilitates substrate design. Fourteen synthetic peptide substrates (composed of 2-19 amino acids) and five enzymes (trypsin, pepsin, carboxypeptidase A, leucine aminopeptidase, and chymotrypsin) were investigated and, in all 28 examined combinations, enzymatic activity was detected by monitoring the increase in steady state fluorescence with time and determining the reaction rates as kcat/Km values, which ranged from 0.2 to 80x10(6) M-1 min-1. The results suggest an excellent compatibility of the very small and hydrophilic fluorescent probe Dbo with solid-phase peptide synthesis and the investigated proteases. For all 14 peptides the fluorescence lifetimes before and after enzymatic cleavage were measured and Nano-TRF measurements were performed in 384-well microplates. The fluorescence lifetimes of the different peptides provide the basis for the rational design of Dbo-based fluorescent substrates for protease assays. Measurements in Nano-TRF mode revealed, in addition to efficient suppression of background fluorescence, an increased differentiation between cleaved and uncleaved substrate. The Dbo-based assays can be adapted for high-throughput screening.

  14. Refractive index effects on the oscillator strength and radiative decay rate of 2,3-diazabicyclo[2.2.2]oct-2-ene.

    Science.gov (United States)

    Mohanty, Jyotirmayee; Nau, Werner M

    2004-01-01

    The photophysical properties of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) were determined in 15 solvents, two supramolecular hosts (cucurbit[7]uril and beta-cyclodextrin) as well as in the gas phase. The oscillator strength and radiative decay rate of DBO as a function of refractive index i.e. polarizability have been analyzed. The oscillator strength increases by a factor of 10 upon going from the gas phase to the most polarizable carbon disulfide, while the corresponding radiative decay rates increase by a factor of 40. There is a good empirical correlation between the oscillator strength of the weakly allowed n,pi* transition of DBO and the reciprocal bulk polarizability, which can be employed to assess the polarizability of unknown microheterogeneous environments. A satisfactory correlation between the radiative decay rate and the square of the refractive index is also found, as previously documented for chromophores with allowed transitions. However, the correlation improves significantly when the oscillator strength is included in the correlation, which demonstrates the importance of this factor in the Strickler-Berg equation for chromophores with forbidden or weakly allowed transitions, for which the oscillator strength may be strongly solvent dependent. The radiative decay rate of DBO in two supramolecular assemblies has been determined, confirming the very low polarizability inside the cucurbituril cavity, in between perfluorohexane and the gas phase. The fluorescence quantum yield of DBO in the gas phase has been remeasured (5.1 +/- 0.5%) and was found to fall one full order of magnitude below a previously reported value.

  15. Electrochemical investigation of 2,2-dinitroethene-1,1-diamine (FOX-7) in aqueous media

    Czech Academy of Sciences Publication Activity Database

    Šimková, Ludmila; Klíma, Jiří; Sazama, Petr; Ludvík, Jiří

    2011-01-01

    Roč. 15, č. 10 (2011), s. 2133-2139 ISSN 1432-8488 R&D Projects: GA MŠk ME09002 Institutional research plan: CEZ:AV0Z40400503 Keywords : 2,2-dinitroethene-11-diamine * FOX -7 * reduction Subject RIV: CG - Electrochemistry Impact factor: 2.131, year: 2011

  16. Functional motifs responsible for human metapneumovirus M2-2-mediated innate immune evasion.

    Science.gov (United States)

    Chen, Yu; Deng, Xiaoling; Deng, Junfang; Zhou, Jiehua; Ren, Yuping; Liu, Shengxuan; Prusak, Deborah J; Wood, Thomas G; Bao, Xiaoyong

    2016-12-01

    Human metapneumovirus (hMPV) is a major cause of lower respiratory infection in young children. Repeated infections occur throughout life, but its immune evasion mechanisms are largely unknown. We recently found that hMPV M2-2 protein elicits immune evasion by targeting mitochondrial antiviral-signaling protein (MAVS), an antiviral signaling molecule. However, the molecular mechanisms underlying such inhibition are not known. Our mutagenesis studies revealed that PDZ-binding motifs, 29-DEMI-32 and 39-KEALSDGI-46, located in an immune inhibitory region of M2-2, are responsible for M2-2-mediated immune evasion. We also found both motifs prevent TRAF5 and TRAF6, the MAVS downstream adaptors, to be recruited to MAVS, while the motif 39-KEALSDGI-46 also blocks TRAF3 migrating to MAVS. In parallel, these TRAFs are important in activating transcription factors NF-kB and/or IRF-3 by hMPV. Our findings collectively demonstrate that M2-2 uses its PDZ motifs to launch the hMPV immune evasion through blocking the interaction of MAVS and its downstream TRAFs. Copyright © 2016 Elsevier Inc. All rights reserved.

  17. 26 CFR 48.6416(b)(2)-2 - Exportations, uses, sales, and resales included.

    Science.gov (United States)

    2010-04-01

    ..., section 4091 (aviation fuel tax), or section 4121 (coal tax). (b) Exportation of tax-paid articles—(1) In... TREASURY (CONTINUED) MISCELLANEOUS EXCISE TAXES MANUFACTURERS AND RETAILERS EXCISE TAXES Refunds and Other Administrative Provisions of Special Application to Retailers and Manufacturers Taxes § 48.6416(b)(2)-2...

  18. Identification of Aquifex aeolicus tRNA (m2(2G26) methyltransferase gene.

    Science.gov (United States)

    Takeda, Hiroshi; Hori, Hiroyuki; Endo, Yaeta

    2002-01-01

    The modifications of N2,N2-dimethylguanine (m2(2)G) are found in tRNAs and rRNAs from eukarya and archaea. In tRNAs, modification at position G26 is generated by tRNA (m2(2)G26) methyltransferase, which is encoded by the corresponding gene, trm1. This enzyme catalyzes the methyl-transfer from S-adenosyl-L-methionine to the semi-conserved residue, G26, via the intermediate modified base, m2G26. Recent genome sequencing project has been reported that the putative trm1 is encoded in the genome of Aquifex aeolicus, a hyper-thermophilic eubacterium as only one exception among eubacteria. In order to confirm whether this bacterial trm1 gene product is a real tRNA (m2(2)G26) methyltransferase or not, we expressed this protein by wheat germ in vitro cell-free translation system. Our biochemical analysis clearly showed that this gene product possessed tRNA (m2(2)G26) methyltransferase activity.

  19. 43 CFR 2.2 - What is DOI's policy regarding release of records under the FOIA?

    Science.gov (United States)

    2010-10-01

    ... 43 Public Lands: Interior 1 2010-10-01 2010-10-01 false What is DOI's policy regarding release of... RECORDS AND TESTIMONY; FREEDOM OF INFORMATION ACT General Information § 2.2 What is DOI's policy regarding... public consistent with the spirit of the FOIA and the Privacy Act. ...

  20. Synthesis of enantiomerically pure thiocrown ethers derived from 1,1'-binaphthalene-2,2'-diol

    NARCIS (Netherlands)

    Stock, H. Thijs; Kellogg, Richard M.

    1996-01-01

    Synthetic methodology is given for the preparation of two different types of thiocrown ethers from optically pure 1,1'-binaphthalene-2,2'-diol (10). The conceptually simplest approach starts from optically pure 10 itself, which is alkylated (4 equiv of K2CO3 in DMF at 110 degrees C) with

  1. The bifurcation and peakons for the special C(3,2,2) equation

    Indian Academy of Sciences (India)

    Keywords. C(3, 2, 2) equation; peakons; bell-shaped solitary waves; periodic cusp waves. .... In other words, the function φ is not well defined on ... Figure 2. The phase portrait bifurcation of system (22). 336. Pramana – J. Phys., Vol. 83, No.

  2. BROND-2.2. Russian evaluated neutron reaction data library. Summary documentation

    Energy Technology Data Exchange (ETDEWEB)

    Lemmel, H D; McLaughlin, P K

    1994-01-01

    BROND-2, the computerized data library for evaluated neutron reaction data of the Russian Federation was released in 1992 and updated in 1993 as BROND-2.2. Its content is summarized in this document. Upon request it is available on magnetic tape, costfree, from the IAEA Nuclear Data Section. It is also available within the IAEA online system NDIS. (author)

  3. BIOASSAY STUDIES OF METAL(II) COMPLEXES OF 2,2'-(ETHANE ...

    African Journals Online (AJOL)

    Preferred Customer

    diyldiimino)diacetic acid (EDDA) were prepared and characterized. Coordination complexes of the EDDA ... corresponding amines with alkyl halide to bear diammines of the same class with different substituents. ... Bioassay studies of metal(II) complexes of 2,2'-(ethane-1,2-diyldiimino)diacetic acid. Bull. Chem. Soc. Ethiop.

  4. Langmuir film of regioregular poly(4-dodecyl-2,2'-bithiophene)

    NARCIS (Netherlands)

    Greve, D.R.; Dynarowicz-Latka, P.; Dhanabalan, A.; Janssen, R.A.J.

    2002-01-01

    Regioregular poly(4-dodecyl-2,2'-bithiophene) (P4DBT) is synthesized via the McCullough polymerization route using Ni(dppp)Cl2 as a catalyst and characterized by UV–visible and nuclear magnetic resonance spectroscopy. The film-forming properties of P4DBT at the air–water interface are investigated

  5. SnSe2 2D Anodes for Advanced Sodium Ion Batteries

    KAUST Repository

    Zhang, Fan; Xia, Chuan; Zhu, Jiajie; Ahmed, Bilal; Liang, Hanfeng; Velusamy, Dhinesh Babu; Schwingenschlö gl, Udo; Alshareef, Husam N.

    2016-01-01

    A simple synthesis method to prepare pure SnSe2 nanosheet anodes for Na ion batteries is reported. The SnSe2 2D sheets achieve a stable and reversible specific capacity of 515 mA h g-1 after 100 cycles, with excellent rate performance. The sodiation

  6. Synthesis and characterization of platinum(II) complexes with 2,2'-bipyridine derivative supporting ligands.

    Science.gov (United States)

    Yang, Kwang Woon; Hwang, Hey Eun; Jung, Hee Sun; Kwak, Chee Hun; Lee, Ji Hoon; Jung, Sang-Chul; Ahn, Ho Geun; Chung, Min Chul

    2011-08-01

    The reaction of the [Pt(bpy-R)Cl2](bpy-R: R=H (2,2'-bipyridine); R=CH3 (4,4'-dimethyl-2,2'-biypridine (DM-bpy), 3,3'-5,5'-tertamethyl-2,2'-bipyridiyl (TM-bpy)) with 1,4-Bis(5'-2',2"-bipyridine)benzene (bpy-Ph-bpy) affords the following mono- and di-platinum complexes of [(bpy)Pt(bpy-Ph-bpy)][PF6]2 (1), [(bpy)Pt(bpy-Ph-bpy)Pt(bpy)])[PF6]4 (2), [(DM-bpy)Pt(bpy-Ph-bpy)])][PF6]2 (3), and [(TM-bpy)Pt(bpy-ph-bpy)[PF6]2 (4), respectively. These complexes were characterized by NMR, IR, UV/VIS, PL and cyclic voltammetry. The internal quantum yields of these platinum(II) complexes are very high (0.83-0.99) and these complexes emit light at deep blue regions (373-417 nm). The redox behavior of complexes 1 and 2 shows quasi-reversible process.

  7. [2-(2,4-dimethylphenylthio)phenyl] aniline and its amide derivatives ...

    Indian Academy of Sciences (India)

    YOGESH PATIL

    2018-02-15

    Feb 15, 2018 ... These derivatives could be considered as a precursor structure for further design of antituberculosis agent. Keywords. [2-(2,4-dimethylphenylthio)phenyl] aniline; antituberculosis activity; cytotoxicity. 1. Introduction. Tuberculosis (TB) is a contagious disease caused by the. Mycobacterium tuberculosis (MTB).

  8. NR based curred latex material reclaimed with 2,2'-dibenzamidodiphenyldisulphide in truck tyre tread compound

    NARCIS (Netherlands)

    Rajan, V.V.; Dierkes, Wilma K.; Joseph, R.; Noordermeer, Jacobus W.M.

    2006-01-01

    It is observed that reclamation of natural rubber latex based rubber using 2,2'-dibenzamidodiphenyldisulphide as reclaiming agent is an optional methodology for recycling of waste latex rubber (WLR). For progressive replacement of virgin natural rubber by the reclaim, two alternatives curing system

  9. Cultivation of HepG2.2.15 on Cytodex-3

    DEFF Research Database (Denmark)

    Lupberger, Joachim; Mund, Andreas; Kock, Josef

    2006-01-01

    BACKGROUND/AIMS: Several novel systems are available to study human hepatitis B virus (HBV) replication in cell culture demanding for efficient cell culture based systems for HBV production. The aim was to enhance HBV production of the HBV stably producing cell line HepG2.2.15 by cultivation on s...

  10. The nature of hydrogen bonding in R-2(2)(8) crystal motifs - a computational exploration

    Czech Academy of Sciences Publication Activity Database

    Deepa, Palanisamy; Solomon, R. V.; Vedha, S. A.; Kolandaivel, P.; Venuvanalingam, P.

    2014-01-01

    Roč. 112, č. 24 (2014), s. 3195-3205 ISSN 0026-8976 Institutional support: RVO:61388963 Keywords : NCI plot * hydrogen bonds * R-2(2)(8) motif * organic crystals * NBO * QTAIM analysis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.720, year: 2014

  11. Oxovanadium(IV) complexes with tridentate dibasic schiff base ligands and 2-(2'-pyridyl) benzimidazole

    Energy Technology Data Exchange (ETDEWEB)

    Mohanty, R N; Chakravortty, V; Dash, K C [Utkal Univ., Bhubaneswar (India). Dept. of Chemistry

    1991-05-01

    The present work deals with the monomeric, six-coordinated mixed-ligand complexes of oxovanadium(IV) with dibasic tridentate schiff base ligands(ONO donor set) and the bidentate chelating ligand 2-(2'-pyridyl)benzimidazole (PBH) containing N{sub 2} donor set. (author). 1 tab., 22 refs.

  12. Visible Light Photocatalysis of [2+2] Styrene Cycloadditions via Energy Transfer

    Science.gov (United States)

    Lu, Zhan; Yoon, Tehshik P.

    2012-01-01

    Hip to be square: Styrenes participate in [2+2] cycloadditions upon irradiation with visible light in the presence of an iridium(III) polypyridyl complex. In contrast to previous reports of visible light photoredox catalysis, the mechanism of this process involves photosensitization by energy transfer and not electron transfer. PMID:22965321

  13. Identification and validation of microsatellite markers for SSR genotyping of Rhizoctonia solani AG2-2

    Science.gov (United States)

    Rhizoctonia solani (Kühn) AG2-2 is an important, soilborne pathogen of sugarbeet (Beta vulgaris) as well as a number of other crops. An improved understanding of the diversity and population structure of this pathogen could benefit management practices. Microsatellites have become an invaluable tool...

  14. Construction of Δm2--sin2 2θ plots

    International Nuclear Information System (INIS)

    Snyder, R.

    1991-01-01

    In the two-flavor approximation, the probability for a neutrino to oscillate from one flavor to the other is given by Ρ νa → νb = sin 2 2θ sin 2 (1.27 Δm 2 L/E ν ) where θ is the mixing angle, Δm 2 = |m νa 2 - m νb 2 | is measured in (eV/c 2 ) 2 , L, the distance from the source, is measured in km, and E, the beam energy, is measured in GeV. If either Δm 2 or sin 2 2Θ is zero, there is no oscillation. They might also have small, non-zero values, causing the oscillations to be so small as to be unobservable in a particular experiment. They may also have values which allow us to determine the probability of oscillation, but so far no compelling evidence for oscillation exists. The universal method of portraying what region of parameter space is explored by a neutrino oscillation experiment is to mark off an area on a Δm 2 vs. sin 2 2θ plot. Typically, a line is graphed, with the claim that if the experiment finds not evidence of oscillation, one can, for example, be 90% certain that Δm 2 and sin 2 2θ lie within the region below and to the left of the line. Since these plots are so widely used, it is useful to understand the process by which they are created

  15. Bis[2-(2-pyridylmethyleneaminobenzenesulfonato-κ3N,N′,O]cadmium(II dihydrate

    Directory of Open Access Journals (Sweden)

    Miao Ou-Yang

    2008-11-01

    Full Text Available The title complex, [Cd(Paba2]·2H2O or [Cd(C12H9N2O3S2]·2H2O, was synthesized by the reaction of the potassium salt of 2-(2-pyridylmethyleneaminobenzenesulfonic acid (PabaK with CdCl2·2.5H2O in methanol. The CdII atom lies on a crystallographic twofold axis and is coordinated by four N atoms and two O atoms from two deprotonated tridentate 2-(2-pyridylmethyleneaminobenzenesulfonate ligands in a slightly distorted octahedral environment. There are extensive hydrogen bonds of the type O—H...O between the uncoordinated water molecules and the sulfonate O atoms, through which the complex forms a layered structure parallel to (001.

  16. Theory of magnetoelectric coupling in 2-2-type magnetostrictive/piezoelectric composite film with texture

    International Nuclear Information System (INIS)

    Liu Chaoqian; Fei Weidong; Li Weili

    2008-01-01

    It is well accepted that textures in polycrystalline films have significant effects on film properties. The magnetoelectric (ME) coupling in a 2-2-type multiferroic composite film was theoretically discussed using Landau-Ginsburg-Devonshire theory, where the influences of dispersive texture and residual stress were considered. As an example, the 2-2-type CoFe 2 O 4 /BaTiO 3 composite film was theoretically analysed, wherein the case of both the magnetostrictive phase and the piezoelectric phase with (0 0 1)-oriented texture was considered. Our results show that the ME coupling is enhanced with the texture degree of the piezoelectric phase and/or the magnitude of the residual tensile stress, but weakened with the magnitude of residual compressive stress. With increasing texture degree of the magnetostrictive phase, the ME coupling is enhanced when the texture degree is smaller than a critical value, but weakened when the texture degree is larger than the critical value

  17. Neutron-induced 2.2 MeV background in gamma ray telescopes

    International Nuclear Information System (INIS)

    Zanrosso, E.M.; Long, J.L.; Zych, A.D.; White, R.S.; Hughes Aircraft Co., Los Angeles, CA)

    1985-01-01

    Neutron-induced gamma ray production is an important source of background in Compton scatter gamma ray telescopes where organic scintillator material is used. Most important is deuteron formation when atmospheric albedo and locally produced neutrons are thermalized and subsequently absorbed in the hydrogenous material. The resulting 2.2 MeV gamma line essentially represents a continuous isotropic source within the scintillator itself. Interestingly, using a scintillator material with a high hydrogen-to-carbon ratio to minimize the neutron-induced 4.4 MeV carbon line favors the np reaction. The full problem of neutron-induced background in Compton scatter telescopes has been previously discussed. Results are presented of observations with the University of California balloon-borne Compton scatter telescope where the 2.2 MeV induced line emission is prominently seen

  18. Benchmark calculations by KENO-Va using the JEF 2.2 library

    Energy Technology Data Exchange (ETDEWEB)

    Markova, L.

    1994-12-01

    This work has to be a contribution to the validation of the JEF2.2 neutron cross-section libarary, following the earlier published benchmark calculations having been performed to validate the previous version JEF1.1 of the libarary. Several simple calculational problems and one experimental problem were chosen for a criticality calculations. In addition also a realistic hexagonal arrangement of the VVER-440 fuel assemblies in a spent fuel cask were analyzed in a partly cylindrized model. All criticality calculations, carried out by the KENO-Va code using the JEF2.2 neutron cross-section library in 172 energy groups, resulted in multiplication factors (k{sub eff}) which were tabulated and compared with the results of other available calculations of the same problems. (orig.).

  19. Thermodynamics of electrolytes. III. Activity and osmotic coefficients for 2-2 electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Pitzer, K.S.; Mayorga, G.

    1974-01-01

    The peculiar behavior of 2-2 and higher valence type electrolytes is discussed in terms of various theories some of which assume, while others do not, an equilibrium between separated ions and ion pairs as distinct chemical species. It is recognized that in some cases a distinct species of inner-shell ion pairs is indicated by spectroscopic or ultrasonic data. Nevertheless, there are many advantages in representing, if possible, the properties of these electrolytes by appropriate virial coefficients and without chemical association equilibria. It is shown that this is possible and is conveniently accomplished by the addition of these equations are given for nine solutes. It is also noted that these equations have been successfully applied to mixed electrolytes involving one component of the 2-2 type. 2 figures, 1 table.

  20. Synthesis of (+-)-[1,1'-15N2, 2'-13C]-trans-3'-methylnicotine

    International Nuclear Information System (INIS)

    Sirimanne, S.R.; Maggio, V.L.; Patterson, D.G. Jr.

    1992-01-01

    The synthesis of (±)- [1,1'- 15 N 2 , 2'- 13 C]-trans-3'-methylnicotine is reported. 15 N-3-Bromopyridine obtained from bromination of pyridine was formylated with nBuLi/[carbonyl- 13 C]-methyl formate. The resulting 15 n-Pyridine-3-[ 13 C-carbonyl]-carboxaldehyde was reacted with 15 N-methylamine and then the resulting Schiff's base was condensed with succinic anhydride to give (±)- [1,1'- 15 N 2 , 5'- 13 C]-trans-4'-carboxycotinine. Reduction with lithium aluminum hydride and mesylation followed by reduction with Zn/NaI gave (±)-[1,1'- 15 N 2 , 2'- 13 C]-trans-3'-methylnicotine. (Author)

  1. An Investigation on the He−(1s2s2 2S Resonance in Debye Plasmas

    Directory of Open Access Journals (Sweden)

    Arijit Ghoshal

    2017-01-01

    Full Text Available The effect of Debye plasma on the 1 s 2 s 2 2 S resonance states in the scattering of electron from helium atom has been investigated within the framework of the stabilization method. The interactions among the charged particles in Debye plasma have been modelled by Debye–Huckel potential. The 1 s 2 s excited state of the helium atom has been treated as consisting of a H e + ionic core plus an electron moving around. The interaction between the core and the electron has then been modelled by a model potential. It has been found that the background plasma environment significantly affects the resonance states. To the best of our knowledge, such an investigation of 1 s 2 s 2 2 S resonance states of the electron–helium system embedded in Debye plasma environment is the first reported in the literature.

  2. Five-membered ring annelation in [2.2]paracyclophanes by aldol condensation

    Directory of Open Access Journals (Sweden)

    Henning Hopf

    2014-08-01

    Full Text Available Under basic conditions 4,5,12,13-tetraacetyl[2.2]paracyclophane (9 cyclizes by a double aldol condensation to provide the two aldols 12 and 15 in a 3:7 ratio. The structures of these compounds were obtained from X-ray structural analysis, spectroscopic data, and mechanistic considerations. On acid treatment 12 is dehydrated to a mixture of the condensed five-membered [2.2]paracyclophane derivatives 18–20, whereas 15 yields a mixture of the isomeric cyclopentadienones 21–23. The structures of these elimination products are also deduced from X-ray and spectroscopic data. The sequence presented here constitutes the simplest route so far to cyclophanes carrying an annelated five-membered ring.

  3. Rapid 2,2'-bicinchoninic-based xylanase assay compatible with high throughput screening

    Science.gov (United States)

    William R. Kenealy; Thomas W. Jeffries

    2003-01-01

    High-throughput screening requires simple assays that give reliable quantitative results. A microplate assay was developed for reducing sugar analysis that uses a 2,2'-bicinchoninic-based protein reagent. Endo-1,4-â-D-xylanase activity against oat spelt xylan was detected at activities of 0.002 to 0.011 IU ml−1. The assay is linear for sugar...

  4. Quicklook overview of model changes in Melcor 2.2: Rev 6342 to Rev 9496

    Energy Technology Data Exchange (ETDEWEB)

    Humphries, Larry L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-05-01

    MELCOR 2.2 is a significant official release of the MELCOR code with many new models and model improvements. This report provides the code user with a quick review and characterization of new models added, changes to existing models, the effect of code changes during this code development cycle (rev 6342 to rev 9496), a preview of validation results with this code version. More detailed information is found in the code Subversion logs as well as the User Guide and Reference Manuals.

  5. SnSe2 2D Anodes for Advanced Sodium Ion Batteries

    KAUST Repository

    Zhang, Fan

    2016-08-22

    A simple synthesis method to prepare pure SnSe2 nanosheet anodes for Na ion batteries is reported. The SnSe2 2D sheets achieve a stable and reversible specific capacity of 515 mA h g-1 after 100 cycles, with excellent rate performance. The sodiation and desodiation process in this anode material is shown to occur via a combination of conversion and alloying reactions.

  6. The first disease connection for Ca(v)2.2 channels

    Czech Academy of Sciences Publication Activity Database

    Weiss, Norbert

    2015-01-01

    Roč. 34, č. 3 (2015), s. 217-219 ISSN 0231-5882 R&D Projects: GA ČR GA15-13556S; GA MŠk 7AMB15FR015 Institutional support: RVO:61388963 Keywords : calcium channel * Ca(v)2.2 channel * channelopathies * myoclonus-dystonia syndrome Subject RIV: CE - Biochemistry Impact factor: 0.892, year: 2015

  7. An improved synthesis of 2,2−-((4-substituted phenyl methylene difurans by Ultrasound irradiation

    Directory of Open Access Journals (Sweden)

    Naween M. Yonis

    2016-09-01

    Full Text Available A new series of 2,2−((4-substituted phenyl methylene difuran was synthesized by one-pot cyclocondensation of aldehyde with excess furan at room temperature using trifluoro acetic acid as a catalyst under ultrasound irradiation in the absence of solvent. The products were compared with the classical condensation reactions. This method consistently enjoys the advantages of mild reaction conditions, excellent yields, easy work up and short time.

  8. Microflow photochemistry: UVC-induced [2 + 2]-photoadditions to furanone in a microcapillary reactor

    Directory of Open Access Journals (Sweden)

    Sylvestre Bachollet

    2013-10-01

    Full Text Available [2 + 2]-Cycloadditions of cyclopentene and 2,3-dimethylbut-2-ene to furanone were investigated under continuous-flow conditions. Irradiations were conducted in a FEP-microcapillary module which was placed in a Rayonet chamber photoreactor equipped with low wattage UVC-lamps. Conversion rates and isolated yields were compared to analogue batch reactions in a quartz test tube. In all cases examined, the microcapillary reactor furnished faster conversions and improved product qualities.

  9. Flow microreactor synthesis of 2,2-disubstituted oxetanes via 2-phenyloxetan-2-yl lithium

    Directory of Open Access Journals (Sweden)

    Degennaro Leonardo

    2016-01-01

    Full Text Available A mild and sustainable synthesis of 2,2-disubstituted oxetanes has been achieved through the use of a flow microreactor system. By controlling the residence time a highly unstable intermediate such as 2-phenyloxetan-2-yl lithium can be generated and trapped with various electrophiles affording in moderate to good yields 2-substituted-2-phenyloxetanes at higher temperatures with respect to macrobatch-mode where –78 °C is required.

  10. (μ-Ethane-1,1,2,2-tetracarboxylatobis[tetraaquamanganese(II

    Directory of Open Access Journals (Sweden)

    Meng-Wei Xue

    2011-04-01

    Full Text Available In the centrosymmetric title molecule, [Mn2(C6H2O8(H2O8], the MnII atom is in an octahedral environment coordinated by six O-atom donors from water molecules and ethane-1,1,2,2-tetracarboxylate ligands. The crystal structure features a three-dimensional hydrogen-bonding network based on a strong and distinctive pattern of O—H...O hydrogen-bonding interactions.

  11. All unitary ray representations of the conformal group SU(2,2) with positive energy

    International Nuclear Information System (INIS)

    Mack, G.

    1975-12-01

    We find all those unitary irreducible representations of the infinitely - sheeted covering group G tilde of the conformal group SU(2,2)/Z 4 which have positive energy P 0 >= O. They are all finite component field representations and are labelled by dimension d and a finite dimensional irreducible representation (j 1 , j 2 ) of the Lorentz group SL(2C). They all decompose into a finite number of unitary irreducible representations of the Poincare subgroup with dilations. (orig.) [de

  12. Vertical downward subcooled bubbly flow modelling with RELAP5/MOD3.2.2 gamma

    International Nuclear Information System (INIS)

    Ristevski, R.; Parzer, I.; Markov, Z.

    2000-01-01

    The presented paper will consider the correlation for void fraction distribution in the subcooled boiling flow regime of downward liquid flow at low velocities. More specifically, it will focus on the choice of the most appropriate heat and mass transfer correlation. The experimental findings and theoretical consideration of these processes and phenomena will be compared with RELAP5/MOD3.2.2 Gamma predictions. (author)

  13. D2.2. Case studies of communication media and their use in crisis situations

    OpenAIRE

    Papadimitriou, Alex; Yannapoulos, Angelos; Kotsiopoulos, Ioannis; Finn, Rachel; Wadhwa, Kush; Watson, Hayley; Baruh, Lemi

    2015-01-01

    EXECUTIVE SUMMARY The purpose of Task 2.2 “Case studies on the use of new media in crisis situations” was for COSMIC to examine a series of European and international case studies of different types of crises in order to explore the ways in which new communication technologies and applications are being used in crisis situations today. Partners conducted an examination of eight different case studies, during which partners described the nature of the case study, provided an understanding o...

  14. Complexes of molybdenum(III) with 2-(2'-pyridyl)benzimidazole

    International Nuclear Information System (INIS)

    Ghosh, S.P.; Prasad, K.M.

    1979-01-01

    Molybdenum(III) forms with 2-(2'-pyridyl) benzimidazole(LH) the trischelated complexes, [Mo(LH) 3 ]X 3 as well as the cationic-anionic complexes, [Mo(LH) 3 X 2 ] + [Mo(LH)X 4 ] - (X=Cl - ,Br - or NCS - ), depending on pH. These complexes have been synthesised and characterised from elemental analyses, i.r. and electronic spectra, magnetic moments and molar conductance. (auth.)

  15. Bis[2-(2H-benzotriazol-2-yl-4-methylphenolato]palladium(II

    Directory of Open Access Journals (Sweden)

    Chen-Yen Tsai

    2009-06-01

    Full Text Available In the title complex, [Pd(C13H10N3O2], the PdII atom is tetracoordinated by two N atoms and two O atoms from two bidentate 2-(2H-benzotriazol-2-yl-4-methylphenolate ligands, forming a square-planar environment. The asymmetric unit contains one half molecule in which the Pd atom lies on a centre of symmetry.

  16. Bis(2,2'-bipyridyl-κN,N')(carbonato-κO,O')cobalt(III) bromide trihydrate.

    Science.gov (United States)

    Ma, Peng-Tao; Wang, Yu-Xia; Zhang, Guo-Qian; Li, Ming-Xue

    2007-12-06

    The title complex, [Co(CO(3))(C(10)H(8)N(2))(2)]Br·3H(2)O, is isostructural with the chloride analogue. The six-coordinated octahedral [Co(2,2'-bipy)(2)CO(3)](+) cation (2,2'-bipy is 2,2'-bipyrid-yl), bromide ion and water mol-ecules are linked together via O-H⋯Br and O-H⋯O hydrogen bonds, generating a one-dimensional chain.

  17. Single-molecule magnet behavior in 2,2’-bipyrimidine-bridged dilanthanide complexes

    Directory of Open Access Journals (Sweden)

    Wen Yu

    2016-01-01

    Full Text Available A series of 2,2’-bipyrimidine-bridged dinuclear lanthanide complexes with the general formula [Ln(tmhd3]2bpm (tmhd = 2,2,6,6-tetramethyl-3,5-heptanedionate, bpm = 2,2’-bipyrimidine, Ln = Gd(III, 1; Tb(III, 2; Dy(III, 3; Ho(III, 4 and Er(III, 5 has been synthesized and characterized. Sublimation of [Tb(tmhd3]2bpm onto a Au(111 surface leads to the formation of a homogeneous film with hexagonal pattern, which was studied by scanning tunneling microscopy (STM. The bulk magnetic properties of all complexes have been studied comprehensively. The dynamic magnetic behavior of the Dy(III and Er(III compounds clearly exhibits single molecule magnet (SMM characteristics with an energy barrier of 97 and 25 K, respectively. Moreover, micro-SQUID measurements on single crystals confirm their SMM behavior with the presence of hysteresis loops.

  18. The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes.

    Science.gov (United States)

    van Zundert, G C P; Rodrigues, J P G L M; Trellet, M; Schmitz, C; Kastritis, P L; Karaca, E; Melquiond, A S J; van Dijk, M; de Vries, S J; Bonvin, A M J J

    2016-02-22

    The prediction of the quaternary structure of biomolecular macromolecules is of paramount importance for fundamental understanding of cellular processes and drug design. In the era of integrative structural biology, one way of increasing the accuracy of modeling methods used to predict the structure of biomolecular complexes is to include as much experimental or predictive information as possible in the process. This has been at the core of our information-driven docking approach HADDOCK. We present here the updated version 2.2 of the HADDOCK portal, which offers new features such as support for mixed molecule types, additional experimental restraints and improved protocols, all of this in a user-friendly interface. With well over 6000 registered users and 108,000 jobs served, an increasing fraction of which on grid resources, we hope that this timely upgrade will help the community to solve important biological questions and further advance the field. The HADDOCK2.2 Web server is freely accessible to non-profit users at http://haddock.science.uu.nl/services/HADDOCK2.2. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  19. Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand.

    Science.gov (United States)

    Tatikonda, Rajendhraprasad; Haukka, Matti

    2017-04-01

    Two ruthenium carbonyl complexes with the 4'-chloro-2,2':6',2''-terpyridine ligand (tpy-Cl, C 15 H 10 ClN 3 ), i.e. [RuCl(tpy-Cl)(CO) 2 ][RuCl 3 (CO) 3 ] (I) [systematic name: cis -di-carbonyl-chlorido(4'-chloro-2,2':6',2''-terpyridine-κ 3 N )ruthenium(II) fac -tricarbonyltri-chlorido-ruthenate(II)], and [RuCl 2 (tpy-Cl)(CO) 2 ] (II) [ cis -dicarbonyl- trans -di-chlorido(4'-chloro-2,2':6',2''-terpyridine-κ 2 N 1 , N 1' )ruthenium(II)], were synthesized and characterized by single-crystal X-ray diffraction. The Ru II atoms in both centrosymmetric structures (I) and (II) display similar, slightly distorted octa-hedral coordination spheres. The coordination sphere in the complex cation in compound (I) is defined by three N atoms of the tridentate tpy-Cl ligand, two carbonyl carbon atoms and one chlorido ligand; the charge is balanced by an octa-hedral [Ru(CO) 3 Cl 3 ] - counter-anion. In the neutral compound (II), the tpy-Cl ligand coordinates to the metal only through two of its N atoms. The coordination sphere of the Ru II atom is completed by two carbonyl and two chlorido ligands. In the crystal structures of both (I) and (II), weak C-H⋯Cl inter-actions are observed.

  20. E2-2 Dependent Plasmacytoid Dendritic Cells Control Autoimmune Diabetes.

    Directory of Open Access Journals (Sweden)

    Lisbeth Hansen

    Full Text Available Autoimmune diabetes is a consequence of immune-cell infiltration and destruction of pancreatic β-cells in the islets of Langerhans. We analyzed the cellular composition of the insulitic lesions in the autoimmune-prone non-obese diabetic (NOD mouse and observed a peak in recruitment of plasmacytoid dendritic cells (pDCs to NOD islets around 8-9 weeks of age. This peak coincides with increased spontaneous expression of type-1-IFN response genes and CpG1585 induced production of IFN-α from NOD islets. The transcription factor E2-2 is specifically required for the maturation of pDCs, and we show that knocking out E2-2 conditionally in CD11c+ cells leads to a reduced recruitment of pDCs to pancreatic islets and reduced CpG1585 induced production of IFN-α during insulitis. As a consequence, insulitis has a less aggressive expression profile of the Th1 cytokine IFN-γ and a markedly reduced diabetes incidence. Collectively, these observations demonstrate a disease-promoting role of E2-2 dependent pDCs in the pancreas during autoimmune diabetes in the NOD mouse.

  1. 12 CFR 584.2-2 - Permissible bank holding company activities of savings and loan holding companies.

    Science.gov (United States)

    2010-01-01

    ... savings and loan holding companies. 584.2-2 Section 584.2-2 Banks and Banking OFFICE OF THRIFT SUPERVISION, DEPARTMENT OF THE TREASURY SAVINGS AND LOAN HOLDING COMPANIES § 584.2-2 Permissible bank holding company activities of savings and loan holding companies. (a) General. For purposes of § 584.2(b)(6)(i) of this part...

  2. Synthesis of the Novel 4,4’- and 6,6’- Dihydroxamic - 2,2’-Bipyridines and Improved Routes to 4,4’- and 6,6’- Substituted 2,2’-Bipyridines and Mono-N-Oxide-2,2’-Bipyridine

    OpenAIRE

    Donnici,Claudio Luis; Máximo Filho,Daniel Henrique; Moreira,Leda Lúcia Cruz; Reis,Genuína Teixeira dos; Cordeiro,Estefania Santos; Oliveira,Ione Ma. Ferreira de; Carvalho,Sandra; Paniago,Eucler B.

    1998-01-01

    The preparation of key precursors for many 2,2’-bipyridine derivatives such as 4,4’-dicarboxy- 2,2’-bipyridine (I), 6,6’-dicarboxy-2,2’-bipyridine- acid (II), 4,4’-dinitro-2,2’-bipyridine-N,N-dioxide (III), 6,6’-dicarbothioamide-2,2’-bipyridine (IV) and mono-N-oxide-2,2’-bipyridine (VII) through more efficient methods is described. The syntheses of the novel ligands 4,4’-dihydroxamic-2,2’-bipyridine (V) and 6,6’-dihydroxamic-2,2’-bipyridine (VI) are also reported. Neste trabalho relatamos ...

  3. The Caspian Sea Catchment influenced by Atlantic Teleconnections in CESM1.2.2 and Observations

    Science.gov (United States)

    Nandini, S. D.; Prange, M.; Schulz, M.

    2017-12-01

    The Caspian Sea (CS) is the world's largest inland sea and located within a closed (endorheic) drainage basin [ 37°-47N, 47°-54°E]. It has undergone dynamic variations (>3 m) during the past century with huge impacts on the economy, ecosystem and livelihood of coastal people. The origin of these variations as well as future changes are disputable. Here, we examine the impact of the major seasonal North Atlantic teleconnection patterns, the North Atlantic Oscillation (NAO) and the East Atlantic pattern (EA) on Caspian hydroclimate variability from 1850-2100 CE. Five Numerical experiments at different atmospheric grid resolutions (2° and 1°) and atmospheric model versions (CAM4 and CAM5) are carried out with the coupled Community Earth System Model (CESM1.2.2). Results reveal the 1° CESM1.2.2 CAM5 captures DJF NAO (46.5%) and EA (13.4%), agreeing well with observational data (1850-2000). The DJF NAO has a strong influence on the DJF temperature, rainfall and evaporation minus precipitation (E-P) over the Caspian sub-basins (Volga, Ural, Terek and Kura). Furthermore, 1° model climate projections (2020-2100 CE) are performed with different Representative Concentration Pathways (RCP4.5 and RCP8.5) to examine likely changes in the NAO and EA and their influence on the Caspian catchment. The NAO under the RCP4.5 and RCP8.5 scenarios remains the leading mode with the highest variance and influences E-P with increased precipitation over the Volga basin and increased evaporation over the Caspian Sea. The above canceling effects act on the hydroclimate variability in the Caspian sub-basins. Moreover, it is indicated that no substantial change is predicted in the CSL by the year 2100. Keywords: North Atlantic Oscillation (NAO), CESM1.2.2 resolutions, Evaporation minus Precipitation (E-P), RCP4.5, RCP8.5

  4. Dual Selectivity Expressed in [2+2+1] Dynamic Clipping of Unsymmetrical [2]Catenanes

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yi

    2010-06-11

    A {pi}-templated dynamic [2+2+1] clipping protocol is established for the synthesis of [2]catenanes from two parts dialdehyde, two parts diamine and one part tetracationic cyclophane. It is further diversified for the selective formation of an unsymmetrical [2]catenane showing great translational selectivity by employing two different dialdehydes in a one-pot reaction. The dual selectivity and the dynamic nature are verified by {sup 1}H NMR spectroscopy, X-ray single crystal structural studies and exchange experiments.

  5. New lanthanide hydrogen phosphites LnH (P03H)2 2H20

    International Nuclear Information System (INIS)

    Durand, J.; Tijani, N.; Cot, L.; Loukili, M.; Rafiq, M.

    1988-01-01

    LnH ((P0 3 H) 2 2H 2 0 is prepared from lanthanide oxide and phosphorous acid with Ln = La, Y, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er or Tm. By thermal gravimetric analysis LnH (P0 3 H) 2 and LnH 2 P 2 0 5 (P0 3 H) 2 are obtained. The three salts are orthorhombic. Parameters and space groups are given for the three salts of each lanthanide. 4 tabs., 13 refs

  6. Dibromido(6-methyl-2,2′-bipyridine-κ2N,N′zinc(II

    Directory of Open Access Journals (Sweden)

    Vahid Amani

    2010-10-01

    Full Text Available In the title compound, [ZnBr2(C11H10N2], the ZnII atom is four-coordinated in a distorted tetrahedral configuration by two N atoms from a 6-methyl-2,2′-bipyridine ligand and two terminal Br atoms. Weak intermolecular C—H...Br hydrogen bonds and π–π stacking interactions between the pyridine rings [centroid–centroid distances = 3.763 (5 and 3.835 (6 Å] contribute to crystal-packing effects.

  7. Multifaceted Strategy for the Synthesis of Diverse 2,2'-Bithiophene Derivatives

    Directory of Open Access Journals (Sweden)

    Stanisław Krompiec

    2015-03-01

    Full Text Available New catalytically or high pressure activated reactions and routes, including coupling, double bond migration in allylic systems, and various types of cycloaddition and dihydroamination have been used for the synthesis of novel bithiophene derivatives. Thanks to the abovementioned reactions and routes combined with non-catalytic ones, new acetylene, butadiyne, isoxazole, 1,2,3-triazole, pyrrole, benzene, and fluoranthene derivatives with one, two or six bithiophenyl moieties have been obtained. Basic sources of crucial substrates which include bithiophene motif for catalytic reactions were 2,2'-bithiophene, gaseous acetylene and 1,3-butadiyne.

  8. Final Project Report Project 10749-4.2.2.1 2007-2009

    Energy Technology Data Exchange (ETDEWEB)

    Zacher, Alan H.; Holladay, Johnathan E.; Frye, J. G.; Brown, Heather M.; Santosa, Daniel M.; Oberg, Aaron A.

    2009-05-11

    This is the final report for the DOE Project 10749-4.2.2.1 for the FY2007 - FY2009 period. This report is non-proprietary, and will be submitted to DOE as a final project report. The report covers activities under the DOE Project inside CRADA 269 (Project 53231) as well as project activites outside of that CRADA (Project 56662). This is the final report that is summarized from the non-proprietary quarterlies submitted to DOE over the past 2.5 years, which in turn are summaries from the proprietary technical reporting to UOP.

  9. The preparation of new functionalized [2.2]paracyclophane derivatives with N-containing functional groups

    Directory of Open Access Journals (Sweden)

    Henning Hopf

    2015-04-01

    Full Text Available The two isomeric bis(isocyanates 4,12- and 4,16-di-isocyanato[2.2]paracyclophane, 16 and 28, have been prepared from their corresponding diacids by simple routes. The two isomers are versatile intermediates for the preparation of various cyclophanes bearing substituents with nitrogen-containing functional groups, e.g., the pseudo-ortho diamine 8, the bis secondary amine 23, and the crownophanes 18 and 19. Several of these new cyclophane derivatives (18, 19, 22, 26, 28 have been characterized by X-ray structural analysis.

  10. O (a) improvement of 2D N = (2 , 2) lattice SYM theory

    Science.gov (United States)

    Hanada, Masanori; Kadoh, Daisuke; Matsuura, So; Sugino, Fumihiko

    2018-04-01

    We perform a tree-level O (a) improvement of two-dimensional N = (2 , 2) supersymmetric Yang-Mills theory on the lattice, motivated by the fast convergence in numerical simulations. The improvement respects an exact supersymmetry Q which is needed for obtaining the correct continuum limit without a parameter fine tuning. The improved lattice action is given within a milder locality condition in which the interactions are decaying as the exponential of the distance on the lattice. We also prove that the path-integral measure is invariant under the improved Q-transformation.

  11. Measurements of electron-proton elastic cross sections for 0.4 2 2

    International Nuclear Information System (INIS)

    Christy, M.E.; Ahmidouch, Abdellah; Armstrong, Christopher; Arrington, John; Razmik Asaturyan; Steven Avery; Baker, O.; Douglas Beck; Henk Blok; Bochna, C.W.; Werner Boeglin; Peter Bosted; Maurice Bouwhuis; Herbert Breuer; Brown, D.S.; Antje Bruell; Roger Carlini; Nicholas Chant; Anthony Cochran; Leon Cole; Samuel Danagoulian; Donal Day; James Dunne; Dipangkar Dutta; Rolf Ent; Howard Fenker; Fox, B.; Liping Gan; Haiyan Gao; Kenneth Garrow; David Gaskell; Ashot Gasparian; Don Geesaman; Paul Gueye; Mark Harvey; Roy Holt; Xiaodong Jiang; Cynthia Keppel; Edward Kinney; Yongguang Liang; Wolfgang Lorenzon; Allison Lung; Pete Markowitz; Martin, J.W.; Kevin McIlhany; Daniella Mckee; David Meekins; Miller, J.W.; Richard Milner; Joseph Mitchell; Hamlet Mkrtchyan; Robert Mueller; Alan Nathan; Gabriel Niculescu; Maria-Ioana Niculescu; Thomas O'neill; Vassilios Papavassiliou; Stephen Pate; Buz Piercey; David Potterveld; Ronald Ransome; Joerg Reinhold; Rollinde, E.; Philip Roos; Adam Sarty; Reyad Sawafta; Elaine Schulte; Edwin Segbefia; Smith, C.; Stepan Stepanyan; Steffen Strauch; Vardan Tadevosyan; Liguang Tang; Raphael Tieulent; Alicia Uzzle; William Vulcan; Stephen Wood; Feng Xiong; Lulin Yuan; Markus Zeier; Benedikt Zihlmann; Vitaliy Ziskin

    2004-01-01

    We report on precision measurements of the elastic cross section for electron-proton scattering performed in Hall C at Jefferson Lab. The measurements were made at 28 unique kinematic settings covering a range in momentum transfer of 0.4 2 2 . These measurements represent a significant contribution to the world's cross section data set in the Q 2 range where a large discrepancy currently exists between the ratio of electric to magnetic proton form factors extracted from previous cross section measurements and that recently measured via polarization transfer in Hall A at Jefferson Lab

  12. A sensitive method for assay of beryllium with chromazurol S and 2,2'-bipyridyl

    International Nuclear Information System (INIS)

    Buhl, F.; Kwapulinska, G.

    1980-01-01

    A spectrophotometric method of assay for microgram amounts of beryllium by means of chromazurol S in presence of 2,2'-bipyridyl was described. The latter appreciably enhances the sensitivity of the method; epsilonsub(lambda=610nm) is 5.4X10 4 . The complex compound obeys the Lambert-Beer law in the concentration range 0.002 to 0.2 ppm Be. The maximum colour intensity is immediately attained at pH 5. The molar ratio Be: CHAS: bip is 1 : 2 : 1. The suggested method is sensitive and has satisfactory selectivity when EDTA is applied as masking agent. (author)

  13. Complexes of molybdenum(III) with 2-(2'-pyridyl)benzimidazole

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, S P [Patna Univ. (India). Dept. of Chemistry; Prasad, K M [H.D. Jain Coll., Arrah (India). Dept. of Chemistry

    1979-07-01

    Molybdenum(III) forms with 2-(2'-pyridyl) benzimidazole(LH) the trischelated complexes, (Mo(LH)/sub 3/)X/sub 3/ as well as the cationic-anionic complexes, (Mo(LH)/sub 3/X/sub 2/)/sup +/ (Mo(LH)X/sub 4/)/sup -/(X=Cl/sup -/,Br/sup -/ or NCS/sup -/), depending on pH. These complexes have been synthesised and characterised from elemental analyses, i.r. and electronic spectra, magnetic moments and molar conductance.

  14. Synthesis of fluorinated ReCl(4,4'-R2-2,2'-bipyridine)(CO)3 complexes and their photophysical characterization in CH3CN and supercritical CO2.

    Science.gov (United States)

    Doherty, Mark D; Grills, David C; Fujita, Etsuko

    2009-03-02

    Two new CO(2)-soluble rhenium(I) bipyridine complexes bearing the fluorinated alkyl ligands 4,4'-(C(6)F(13)CH(2)CH(2)CH(2))(2)-2,2'-bipyridine (1a), and 4,4'-(C(8)F(17)CH(2)CH(2)CH(2))(2)-2,2'-bipyridine (1b) have been prepared and their photophysical properties investigated in CH(3)CN and supercritical CO(2). Electrochemical and spectroscopic characterization of these complexes in CH(3)CN suggests that the three methylene units effectively insulate the bipyridyl rings and the rhenium center from the electron-withdrawing effect of the fluorinated alkyl chains. Reductive quenching of the metal-to-ligand charge-transfer excited states with triethylamine reveals quenching rate constants in supercritical CO(2) that are only 6 times slower than those in CH(3)CN.

  15. Novel selective catalytic reduction with tritium: synthesis of the GABAA receptor radioligand 1-(4-ethynylphenyl)-4-[2,3-3H2]propyl-2,6,7-trioxabicyclo[2.2.2 ]octane

    International Nuclear Information System (INIS)

    Palmer, C.J.; Casida, J.E.

    1991-01-01

    Protection of the terminal alkyne function in 1-(4-ethynylphenyl)-4-(prop-2-enyl)-2,6,7-trioxabicyclo[2.2.2] octane with a trimethylsilyl group permits the selective catalytic reduction of the olefin moiety with tritium gas to give after deprotection 1-(4-ethynylphenyl)-4-[2,3- 3 H 2 ] propyl-2,6,7-trioxabicyclo-[2.2.2] octane. The labeled product at high specific activity is an improved radioligand for the GABA-gated chloride channel of insects and mammals and the intermediate 4-[2,3- 3 H 2 ]propyl-1-[4-[(trimethylsilyl)ethynyl]phenyl]-2,6,7-trioxabicyclo[2.2.2]octane is useful for studies on the metabolic activation of this selective proinsecticide. (author)

  16. Novel selective catalytic reduction with tritium: synthesis of the GABA sub A receptor radioligand 1-(4-ethynylphenyl)-4-(2,3- sup 3 H sub 2 )propyl-2,6,7-trioxabicyclo(2. 2. 2 )octane

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, C J; Casida, J E [California Univ., Berkeley, CA (United States). Pesticide Chemistry and Toxicology Lab.

    1991-07-01

    Protection of the terminal alkyne function in 1-(4-ethynylphenyl)-4-(prop-2-enyl)-2,6,7-trioxabicyclo(2.2.2) octane with a trimethylsilyl group permits the selective catalytic reduction of the olefin moiety with tritium gas to give after deprotection 1-(4-ethynylphenyl)-4-(2,3-{sup 3}H{sub 2}) propyl-2,6,7-trioxabicyclo-(2.2.2) octane. The labeled product at high specific activity is an improved radioligand for the GABA-gated chloride channel of insects and mammals and the intermediate 4-(2,3-{sup 3}H{sub 2})propyl-1-(4-((trimethylsilyl)ethynyl)phenyl)-2,6,7-trioxabicyclo(2.2.2)octane is useful for studies on the metabolic activation of this selective proinsecticide. (author).

  17. Space-time supersymmetry of extended fermionic strings in 2 + 2 dimensions

    International Nuclear Information System (INIS)

    Ketov, S.V.

    1993-04-01

    The N = 2 fermionic string theory is revisited in light of its recently proposed equivalence to the non-compact N = 4 fermionic string model. The issues of space-time Lorentz covariance and supersymmetry for the BRST quantized N = 2 strings living in uncompactified 2 + 2 dimensions are discussed. The equivalent local quantum supersymmetric field theory appears to be the most transparent way to represent the space-time symmetries of the extended fermionic strings and their interactions. Our considerations support the Siegel's ideas about the presence of SO(2,2) Lorentz symmetry as well as at least two self-dual space-time supersymmetries in the theory of the N = 2(4) fermionic strings, though we do not have a compelling reason to argue about the necessity of the maximal space-time supersymmetry. The world-sheet arguments about the absence of all string massive modes in the physical spectrum, and the vanishing of all string-loop amplitudes in the Polyakov approach, are given on the basis of general consistency of the theory. (orig.)

  18. Core heatup prediction during SB LOCA with RELAP5/MOD3.2.2 Gamma

    International Nuclear Information System (INIS)

    Parzer, I.; Mavko, B.; Petelin, S.

    2001-01-01

    The paper focuses on the phenomena leading to core uncovering and heatup during the SB LOCA and the ability of RELAP5/MOD3.2.2 Gamma to predict core overheating. The code prediction has been compared to the three experiments, one conducted on the separate effect test facility NEPTUN in Switzerland and the other two conducted on two integral test facilities, PMK-2 in Hungary and PACTEL facility in Finland. In the case of a series of boiloff experiments performed on the NEPTUN test facility the influence of the two correlations available in MOD3.2.2 Gamma for determining interphase drag has been studied. In the case of IAEA-SPE-4 experiment simulation on PMK-2 facility the main goal of the analysis was to study the adequate modeling of the hexagonal core channel with 19-rod bundle and the phenomena during the core uncovering. The third analyzed experiment, OECD-ISP-33, was performed on PACTEL facility to study different natural circulation modes during SB LOCA. The analysis also focused on the final stage of this SB LOCA experiment, when core dryout and heatup was observed due to gradual emptying of the primary system. Following the experience the appropriate modeling options have been used to achieve better representation of the important phenomena during the SB LOCA.(author)

  19. Long-range psu(2,2|4) Bethe ansatze for gauge theory and strings

    International Nuclear Information System (INIS)

    Beisert, Niklas; Staudacher, Matthias

    2005-01-01

    We generalize various existing higher-loop Bethe ansatze for simple sectors of the integrable long-range dynamic spin chain describing planar N=4 super-Yang-Mills theory to the full psu(2,2|4) symmetry and, asymptotically, to arbitrary loop order. We perform a large number of tests of our conjectured equations, such as internal consistency, comparison to direct three-loop diagonalization and expected thermodynamic behavior. In the special case of the su(1|2) subsector, corresponding to a long-range t-J model, we are able to derive, up to three loops, the S-matrix and the associated nested Bethe ansatz from the gauge theory dilatation operator. We conjecture novel all-order S-matrices for the su(1|2) and su(1,1|2) subsectors, and show that they satisfy the Yang-Baxter equation. Throughout the paper, we muse about the idea that quantum string theory on AdS 5 xS 5 is also described by a psu(2,2|4) spin chain. We propose asymptotic all-order Bethe equations for this putative ''string chain'', which differ in a systematic fashion from the gauge theory equations

  20. Analysis of Saturn's Thermal Emission at 2.2-cm Wavelength: Spatial Distribution of Ammonia Vapor

    Science.gov (United States)

    Laraia, A. L.; Ingersoll, A. P.; Janssen, Michael A.; Gulkis, Samuel; Oyafuso, Fabiano A.; Allison, Michael D.

    2013-01-01

    This work focuses on determining the latitudinal structure of ammonia vapor in Saturn's cloud layer near 1.5 bars using the brightness temperature maps derived from the Cassini RADAR (Elachi et al., 2004) instrument, which works in a passive mode to measure thermal emission from Saturn at 2.2-cm wavelength. We perform an analysis of five brightness temperature maps that span epochs from 2005 to 2011, which are presented in a companion paper by Janssen et al. (2013a, this issue). The brightness temperature maps are representative of the spatial distribution of ammonia vapor, since ammonia gas is the only effective opacity source in Saturn's atmosphere at 2.2-cm wavelength. Relatively high brightness temperatures indicate relatively low ammonia relative humidity (RH), and vice versa. We compare the observed brightness temperatures to brightness temperatures computed using the Juno atmospheric microwave radiative transfer (JAMRT) program which includes both the means to calculate a tropospheric atmosphere model for Saturn and the means to carry out radiative transfer calculations at microwave frequencies. The reference atmosphere to which we compare has a 3x solar deep mixing ratio of ammonia (we use 1.352x10(exp -4) for the solar mixing ratio of ammonia vapor relative to H2; see Atreya, 2010) and is fully saturated above its cloud base. The maps are comprised of residual brightness temperatures-observed brightness temperature minus the model brightness temperature of the saturated atmosphere.

  1. Dehydriding and rehydriding properties of Mg(NH2)2-LiH systems

    International Nuclear Information System (INIS)

    Aoki, M.; Noritake, T.; Nakamori, Y.; Towata, S.; Orimo, S.

    2007-01-01

    The dehydriding and rehydriding properties of the mixtures of 3Mg(NH 2 ) 2 + nLiH (n = 6, 8, and 12) were investigated by pressure-composition (p-c) isotherm and X-ray diffraction (XRD) measurements in order to clarify the effects of the LiH ratio n on the properties. The amounts of the hydrogen desorbed from the mixtures with n = 6, 8, and 12 were 5.4, 5.1, and 4.5 mass%, respectively; this indicates that the amounts on a unit mass basis decrease with increasing n. However, the molar ratios of the desorbed hydrogen to the mixtures estimated from the amounts were almost equal, and also the features of the p-c isotherms were similar to each other. Moreover, the Li 2 Mg(NH) 2 and LiH phases were observed in XRD profiles of all the mixtures after p-c isotherm measurements. These results suggest that the dehydriding reaction of the mixtures of 3Mg(NH 2 ) 2 + nLiH (n = 6, 8, and 12) under hydrogen pressure is not dominantly affected by the value of n. On the other hand, the amounts of the ammonia desorbed from the mixtures detected by mass spectroscopy decreased with increasing n

  2. Measurement of the "2"2"Rn concentration in residences and workplaces in the Riobamba City

    International Nuclear Information System (INIS)

    Cuadrado, C.; Carrasco, J.

    2016-10-01

    The "2"2"2Rn belongs to the "2"3"8U natural radioactive series, decays emitting alpha particles with a disintegration half-period of 3.82 days. Is a colorless and odorless gas that is imperceptible to people. Studies have shown that indoor radon exposure can lead to lung cancer, even for the relatively low levels of radon commonly found in residential buildings. Measurements of the radon concentration were carried out in residences, offices and university laboratories in the Riobamba City (Ecuador), characterizing the places by the building materials, their age, length of stay among other variables. A Corentium brand electronic detector was used, which gives a short reading in 24 hours and extended in 7 days. Using the radon dose conversion coefficient 0.017 mSv/y for 1 Bq/m"3, recommended by the ICRP annual doses were estimated for each site. The data obtained show that the ranges are acceptable and are within the Who recommendations, being out of range a teaching laboratory because it has natural uranium for practices. These measurements are the first to be carried out in the country and can be used to promote research of this type at local, national and regional level. (Author)

  3. Regulated release of Ca2+ from respiring mitochondria by Ca2+/2H+ antiport.

    Science.gov (United States)

    Fiskum, G; Lehninger, A L

    1979-07-25

    Simultaneous measurements of oxygen consumption and transmembrane transport of Ca2+, H+, and phosphate show that the efflux of Ca2+ from respiring tightly coupled rat liver mitochondria takes place by an electroneutral Ca2+/2H+ antiport process that is ruthenium red-insensitive and that is regulated by the oxidation-reduction state of the mitochondrial pyridine nucleotides. When mitochondrial pyridine nucleotides are kept in a reduced steady state, the efflux of Ca2+ is inhibited; when they are in an oxidized state, Ca2+ efflux is activated. These processes were demonstrated by allowing phosphate-depleted mitochondria respiring on succinate in the presence of rotenone to take up Ca2+ from the medium. Upon subsequent addition of ruthenium red to block Ca2+ transport via the electrophoretic influx pathway, and acetoacetate, to bring mitochondrial pyridine nucleotides into the oxidized state, Ca2+ efflux and H+ influx ensued. The observed H+ influx/Ca2+ efflux ratio was close to the value 2.0 predicted for the operation of an electrically neutral Ca2+/2H+ antiport process.

  4. An analytical comparative exercise on the OECD-SETH PKL E2.2 experiment

    International Nuclear Information System (INIS)

    Reventos, F.; Freixa, J.; Batet, L.; Pretel, C.; Luebbesmeyer, D.; Spaziani, D.; Macek, J.; Lahovsky, F.; Kasahara, F.; Umminger, K.; Wegner, R.

    2008-01-01

    The 'First Workshop on Analytical Activities related to the SETH-OECD project' was held in Barcelona at the UPC's Institute of Energy Technologies (INTE), from 2nd to 3rd September 2003. The workshop gave the participants an opportunity to present the main results of the calculations performed as pre- and post-test simulations of SETH experiments. Among all the post-tests that were both presented and discussed, PKL experiment E2.2 holds special interest as it has been widely studied. Test E2.2 examined the most conservative case in terms of the maximum size that condensate slugs can reach and how far boron concentration can drop on resumption of natural circulation following a cold-side SB-LOCA. The analyses were performed by different working groups belonging to different countries and different codes were used. This paper goes deeper into the comparison of results of the different authors. Its aim is to both show and compare the results obtained by different working groups in their simulation of the experiment and to analyse the main parameters involved in order to draw conclusions on improvements that can be made in the analytical approach to such tests. All the participants managed to successfully predict the overall thermal-hydraulic system behaviour. Vessel fill-up together with slug build-up by reflux-condensation are phenomena that were correctly predicted, while simulation of natural circulation restart and transport of low-borated water slugs still need some improvement

  5. Lithium isotope effects in chemical exchange with (2,2,1) cryptand

    International Nuclear Information System (INIS)

    Jepson, B.E.; Cairns, G.A.

    1979-01-01

    Equilibrium single-stage separation factors were determined for three lithium - (2,2,1) cryptand two-phase chemical exchange systems. The equilibrated phases consisted of an aqueous solution of a lithium salt and a chloroform solution of lithium cryptate salt complex. Lithium-6 concentrated in the organic phase in all cases, and the lithium isotope exchange rate with (2,2,1) cryptand was rapid. The separation factors were α = 1.026 +- 0.006 (LiBr exchange), α = 1.035 +- 0.003 (LiTFA), and α = 1.041 +- 0.006 (LiTFA + HTFA), where TFA represents trifluoroacetate. These values were compared with separation factors of other lithium chemical exchange systems. This work has shown that separation factors are influenced by the choice of chemical species and parameters. It has also demonstrated that significant lithium isotope effects can be obtained without a valence change of the metal exchanging between the aquo and cryptate complexes

  6. Evolution of optically selected quasars with z<2.2 and B<20

    International Nuclear Information System (INIS)

    Marshall, H.L.

    1985-01-01

    Several complete samples of optically selected quasars are combined to give details of the quasar luminosity function and its evolution for redshifts less than 2.2. Sufficient coverage of the Hubble diagram is obtained that luminosity-dependent density evolution models can be tested and compared against pure luminosity evolution models. Although luminosity-dependent evolution is indicated if the evolution function has an exponential form, the data are consistent with a power-law evolution model that is independent of luminosity. When the sample is split into halves by redshift, a better fit is obtained with a power-law evolution model than with an exponential model. Furthermore, the luminosity function is consistent with a power-law shape whose slope is independent of redshift. Pure luminosity evolution models wherein luminosities evolve as (1+z)/sup 3.5/ and the luminosity functioin is given by dN/dLproportionalL/sup -3.6/ are consistent with these results and fit the data very well. These results suggest that the same mass supply and energy generation mechanisms apply over several decades of optical luminosity and for z<2.2

  7. Compared performances of ENDF/B-VI and JEF-2.2 for MOX core physics

    International Nuclear Information System (INIS)

    Finck, P. J.

    1998-01-01

    The US is currently evaluating the use of MOX fuel in commercial LWR's for reducing weapons grade Pu stockpiles. The design and licensing processes will require that the validity of the nuclear data libraries and codes used in the effort be demonstrated. Unfortunately, there are only a very limited number of relatively old and non representative integral experiments' freely available to the US programs. This lack of adequate experimental data can be partially remediated by comparing the results of well validated European codes with the results of candidate US codes. The demonstration can actually be divided in two components: a code to code (Monte Carlo) comparison can easily demonstrate the validity and limits of the proposed algorithms; and the performances of nuclear data libraries should be compared, major trends should be observed, and their origins should be explained in terms of differences in evaluated nuclear data; In this paper, we have compared the performances of the JEF-2.2 and ENDF/B-VI.4 libraries for a series of benchmarks for k eff , void worth, and pin power distributions. Note that JEF-2.2 has been extensively validated for MOX applications

  8. Ruthenium complexes containing 2-(2-nitrosoaryl)pyridine: structural, spectroscopic, and theoretical studies.

    Science.gov (United States)

    Chan, Siu-Chung; Cheung, Ho-Yuen; Wong, Chun-Yuen

    2011-11-21

    Ruthenium complexes containing 2-(2-nitrosoaryl)pyridine (ON(^)N) and tetradentate thioether 1,4,8,11-tetrathiacyclotetradecane ([14]aneS4), [Ru(ON(^)N)([14]aneS4)](2+) [ON(^)N = 2-(2-nitrosophenyl)pyridine (2a), 10-nitrosobenzo[h]quinoline (2b), 2-(2-nitroso-4-methylphenyl)pyridine, (2c), 2-(2-nitrosophenyl)-5-(trifluoromethyl)pyridine (2d)] and analogues with the 1,4,7-trithiacyclononane ([9]aneS3)/tert-butylisocyanide ligand set, [Ru(ON(^)N)([9]aneS3)(C≡N(t)Bu)](2+) (4a and 4b), have been prepared by insertion of a nitrosonium ion (NO(+)) into the Ru-aryl bond of cyclometalated ruthenium(II) complexes. The molecular structures of the ON(^)N-ligated complexes 2a and 2b reveal that (i) the ON(^)N ligands behave as bidentate chelates via the two N atoms and the bite angles are 86.84(18)-87.83(16)° and (ii) the Ru-N(NO) and N-O distances are 1.942(5)-1.948(4) and 1.235(6)-1.244(5) Å, respectively. The Ru-N(NO) and N-O distances, together with ν(N═O), suggest that the coordinated ON(^)N ligands in this work are neutral moiety (ArNO)(0) rather than monoanionic radical (ArNO)(•-) or dianion (ArNO)(2-) species. The nitrosated complexes 2a-2d show moderately intense absorptions centered at 463-484 nm [ε(max) = (5-6) × 10(3) dm(3) mol(-1) cm(-1)] and a clearly discriminable absorption shoulder around 620 nm (ε(max) = (6-9) × 10(2) dm(3) mol(-1) cm(-1)), which tails up to 800 nm. These visible absorptions are assigned as a mixing of d(Ru) → ON(^)N metal-to-ligand charge-transfer and ON(^)N intraligand transitions on the basis of time-dependent density functional theory (TD-DFT) calculations. The first reduction couples of the nitrosated complexes range from -0.53 to -0.62 V vs Cp(2)Fe(+/0), which are 1.1-1.2 V less negative than that for [Ru(bpy)([14]aneS4)](2+) (bpy = 2,2'-bipyridine). Both electrochemical data and DFT calculations suggest that the lowest unoccupied molecular orbitals of the nitrosated complexes are ON(^)N-centered. Natural population

  9. Investigation of the Na2(H2PO2)2 - Ba(H2PO2)2 - H2O Water-Salt Ternary System at Room Temperature

    OpenAIRE

    Erge, Hasan; Turan, Hakan; Kul, Ali Riza

    2016-01-01

    Objective: In this study, the solubility, density, conductivity and phase equilibria of the Na2(H2PO2)2-Ba(H2PO2)2-H2O ternary system located in the structure of the Na+, Ba2+, (H2PO2)-//H2O quaternary reciprocal water-salt system were investigated using physicochemical analysis methods. Material and Methods: Riedel-de Haen and Merck salts were used to investigate the solubility and phase equilibria of the Na2(H2PO2)2 -Ba(H2PO2)2-H2O ternary water–salt system at room temperature Res...

  10. Nafion/2,2'-bipyridyl-modified bismuth film electrode for anodic stripping voltammetry

    International Nuclear Information System (INIS)

    Torma, Ferenc; Kadar, Mihaly; Toth, Klara; Tatar, Eniko

    2008-01-01

    This paper describes the fabrication, characterisation and the application of a Nafion/2,2'-bipyridyl/bismuth composite film-coated glassy carbon electrode (NC(Bpy)BiFE) for the anodic stripping voltammetric determination of trace metal ions (Zn 2+ , Cd 2+ and Pb 2+ ). The NC(Bpy)BiFE electrode is prepared by first applying a 2.5 mm 3 drop of a coating solution containing 0.5 wt% Nafion and 0.1% (w/v) 2,2'-bipyridil (Bpy) onto the surface of a glassy carbon electrode, while the Bi film was plated in situ simultaneously with the target metal ions at -1.4 V. The main advantage of the polymer coated bismuth film electrode is that the sensitivity of the stripping responses is increased considerably due to the incorporation of the neutral chelating agent of 2,2'-bipyridyl (Bpy) in the Nafion film, while the Nafion coating improved the mechanical stability of the bismuth film and its resistance to the interference of surfactants. The key experimental parameters relevant to both the electrode fabrication and the voltammetric measurement were optimized on the basis of the stripping signals. With a 2 min deposition time in the presence of oxygen, linear calibration curves were obtained in a wide concentration range (about 2-0.001 μM) with detection limits of 8.6 nM (0.56 μg dm -3 ) for Zn 2+ , 1.1 nM (0.12 μg dm -3 ) for Cd 2+ and 0.37 nM (0.077 μg dm -3 ) for Pb 2+ . For nine successive preconcentration/determination/electrode renewal experiments the standard deviations were between 3 and 5% at 1.2 μM for zinc and 0.3-0.3 μM concentration level for lead and cadmium, respectively, and the method exhibited excellent selectivity in the presence of the excess of several potential interfering metal ions. The analytical utility of the stripping voltammetric method elaborated was tested in the assay of heavy metals in some real samples and the method was validated by ICP-MS technique

  11. Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction.

    Science.gov (United States)

    Turowska-Tyrk, Ilona

    2003-10-01

    The structural changes in a crystal of 5-benzylidene-2-(4-chlorobenzyl)cyclopentanone during [2 + 2]-photodimerization were monitored by means of X-ray diffraction. It was observed that the monomers moved gradually from the position occupied in the crystal at the initial stage of the photoreaction and the dimers moved towards the position assumed at the final step. The movements of the molecules possess a rotational component. Moreover, with the progress of the phototransformation the monomers in the reacting pair gradually move closer and change their relative orientation to resemble more the product molecule. The behaviour of the molecules and also the variation of the cell constants for the studied compound were compared with data for 5-benzylidene-2-benzylcyclopentanone.

  12. Observations of M dwarfs beyond 2.2 μm

    International Nuclear Information System (INIS)

    Berriman, G.

    1987-01-01

    This paper presents the first systematic spectroscopic observations of M dwarfs beyond 2.2μm. The coolest dwarfs show strong water absorption in the 3μm window, and beyond 4μm, the energy distributions of all the stars fall slightly less steeply than the Rayleigh-Jeans tail of a blackbody. Spectra between 1 and 4μm are essential in deriving accurate luminosities of M dwarfs, and possibly in deriving accurate effective temperatures too. New values reported here are not in general well explained by theoretical models of hydrogen burning stars. This is especially true for those cooler than 3000K: in the HR diagram they lie closer to brown dwarfs, in contrast to recent results based only on photometry. (author)

  13. Theoretical stusy of the reaction between 2,2',4' - trihydroxyazobenzene-5-sulfonic acid and zirconium

    Science.gov (United States)

    Fletcher, Mary H.

    1960-01-01

    Zirconium reacts with 2,2',4'-trihydroxyazobenzene-5-sulfonic acid in acid solutions to Form two complexes in which the ratios of dye to zirconium are 1 to 1 and 2 to 1. Both complexes are true chelates, with zirconium acting as a bridge between the two orthohydroxy dye groups. Apparent equilibrium constants for the reactions to form each of the complexes are determined. The reactions are used as a basis for the determination of the active component in the dye and a graphical method for the determination of reagent purity is described. Four absorption spectra covering the wave length region from 350 to 750 mu are given, which completely define the color system associated with the reactions in solutions where the hydrochloric acid concentration ranges from 0.0064N to about 7N.

  14. Two-dimensional N=(2,2) lattice gauge theories with matter in higher representations

    International Nuclear Information System (INIS)

    Joseph, Anosh

    2014-06-01

    We construct two-dimensional N=(2,2) supersymmetric gauge theories on a Euclidean spacetime lattice with matter in the two-index symmetric and anti-symmetric representations of SU(N c ) color group. These lattice theories preserve a subset of the supercharges exact at finite lattice spacing. The method of topological twisting is used to construct such theories in the continuum and then the geometric discretization scheme is used to formulate them on the lattice. The lattice theories obtained this way are gauge-invariant, free from fermion doubling problem and exact supersymmetric at finite lattice spacing. We hope that these lattice constructions further motivate the nonperturbative explorations of models inspired by technicolor, orbifolding and orientifolding in string theories and the Corrigan-Ramond limit.

  15. FT-IR spectroscopic analyses of 2-(2-furanylmethylene) propanedinitrile

    Science.gov (United States)

    Soliman, H. S.; Eid, Kh. M.; Ali, H. A. M.; El-Mansy, M. A. M.; Atef, S. M.

    2013-03-01

    In the present work, a computational study for the optimized molecular structural parameters, thermo-chemical parameters, total dipole moment, HOMO-LUMO energy gap and a combined experimental and computational study for FT-IR spectra for 2-(2-furanylmethylene) propanedinitrile have been investigated using B3LYP utilizing 6-31G and 6-311G basis set. Our calculated results showed that the investigated compound possesses a dipole moment of 7.5 D and HOMO-LUMO energy gap of 3.92 eV using B3LYP/6-311G which indicates that our investigated compound is highly applicable for photovoltaic solar cell applications.

  16. The Lanchester square-law model extended to a (2,2) conflict

    Science.gov (United States)

    Colegrave, R. K.; Hyde, J. M.

    1993-01-01

    A natural extension of the Lanchester (1,1) square-law model is the (M,N) linear model in which M forces oppose N forces with constant attrition rates. The (2,2) model is treated from both direct and inverse viewpoints. The inverse problem means that the model is to be fitted to a minimum number of observed force levels, i.e. the attrition rates are to be found from the initial force levels together with the levels observed at two subsequent times. An approach based on Hamiltonian dynamics has enabled the authors to derive a procedure for solving the inverse problem, which is readily computerized. Conflicts in which participants unexpectedly rally or weaken must be excluded.

  17. SUSY WT identity in a lattice formulation of 2D N=(2,2) SYM

    International Nuclear Information System (INIS)

    Kadoh, Daisuke; Suzuki, Hiroshi

    2010-01-01

    We address some issues relating to a supersymmetric (SUSY) Ward-Takahashi (WT) identity in Sugino's lattice formulation of two-dimensional (2D) N=(2,2)SU(k) supersymmetric Yang-Mills theory (SYM). A perturbative argument shows that the SUSY WT identity in the continuum theory is reproduced in the continuum limit without any operator renormalization/mixing and tuning of lattice parameters. As application of the lattice SUSY WT identity, we show that a prescription for the Hamiltonian density in this lattice formulation, proposed by Kanamori, Sugino and Suzuki, is justified also from a perspective of an operator algebra among correctly-normalized supercurrents. We explicitly confirm the SUSY WT identity in the continuum limit to the first nontrivial order in a semi-perturbative expansion.

  18. DFT study of conformational and vibrational characteristics of 2-(2-hydroxyphenyl)benzothiazole molecule.

    Science.gov (United States)

    Pandey, Urmila; Srivastava, Mayuri; Singh, R P; Yadav, R A

    2014-08-14

    The conformational and IR and Raman spectral studies of 2-(2-hydroxyphenyl)benzothiazole have been carried out by using the DFT method at the B3LYP/6-311++G(**) level. The detailed vibrational assignments have been done on the basis of calculated potential energy distributions. Comparative studies of molecular geometries, atomic charges and vibrational fundamentals of all the conformers have been made. There are four possible conformers for this molecule. The optimized geometrical parameters obtained by B3LYP/6-311++G(**) method showed good agreement with the experimental X-ray data. The atomic polar tensor (APT) charges, Mulliken atomic charges, natural bond orbital (NBO) analysis and HOMO-LUMO energy gap of HBT and its conformers were also computed. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Spectrophotometric determination of neodymium in mixture with lanthanum by eosin and 2,2'-dipyridyl

    International Nuclear Information System (INIS)

    Ovchar, L.A.; Poluehktov, N.S.

    1980-01-01

    The possibility of using rare earth complexes with eosin (EO) and 2.2-dipyridyl (DP) for spectrophotometric determination of some rare earths in the presence of the others. It has been out that the complexes are not extracted by organic solvents. The PH region of complex existence (approximately 6) and the relation of components in them (rare earths:DP:EO=1:2:3) are determined. The possibility has been shown of determining all the rare earts from praseodymium to lutetium and yttrium in a binary mixture with lanthanum based on different stability of the studied complexes. The method has been tested on the example of determining Nd 2 O 3 in a mixture with La 2 O 3 . The low limit of determined contents is 1-2%. The relative standard deviation is 0.035-0.17 [ru

  20. Zero curvature condition of OSp(2/2) and the associated supergravity theory

    International Nuclear Information System (INIS)

    Das, A.; Huang, W.J.; Roy, S.

    1992-01-01

    In this paper, the N = 2 fermionic extensions of the KdV equations are derived from the zero curvature condition associated with the graded Lie algebra of OSp(2/2). These equations lead to two bi-Hamiltonian systems, one of which is supersymmetric. The authors also derive the one-parameter family of N = 2 supersymmetric KdV equations without a bi-Hamiltonian structure in this approach. Following the authors' earlier proposal, the authors interpret the zero curvature conditions as a gauge anomaly equation which brings out the underlying current algebra for the corresponding 2D supergravity theory. This current algebra is then used to obtain the operator product expansions of various fields of this theory

  1. Growth of methyl 2-(2,4-dinitrophenyl)aminopropanoate single crystals

    Science.gov (United States)

    Perigaud, A.; Nicolau, Y. F.

    1986-12-01

    Methyl 2-(2,4-dinitrophenyl)aminopropanoate single crystals, 1 cm in diameter and 7 cm in length have been grown by a travelling-heater-Bridgman method in polyethylene tubes introduced into glass ampoules, at a growth rate of 1.5-6 mm/day. The starting material was synthesised and purified by recrystallization from methanol and by vacuum evaporation to a purity of 99.994%. The period of growth, and hence the length of the crystal, is limited due to melt decomposition and polycondensation. The b-axis of the crystals is always oriented at about 72° to the ampoule axis. Good quality single crystals have been obtained giving a FWHM of the Cu Kα (040) rocking curve of about 1'.

  2. (Acetato-κO{2-[(2-aminoethyl-κNdisulfanyl]ethanaminium}dichloridozinc(II

    Directory of Open Access Journals (Sweden)

    Naoto Kuwamura

    2016-01-01

    Full Text Available In the title compound, [Zn(C4H13N2S2(CH3COOCl2], the ZnII ion is in a tetrahedral coordination geometry, coordinated by one acetate, two chloride and one 2-[(2-aminoethyldisulfanyl]ethanaminium ligand, with a Zn—O distance of 1.977 (3 Å, a Zn—N distance of 2.015 (3 Å and Zn—Cl distances of 2.2673 (18 and 2.2688 (15 Å. In the crystal, molecules are self-assembled by N—H...Cl hydrogen bonds, leading to a one-dimensional chain structure. The chains interact with each other through N—H...O, N—H...S, C—H...Cl and C—H...S hydrogen bonding, completing a three-dimensional hydrogen-bonding network structure.

  3. Synthesis and spectroscopic properties of Tris(2,2'-bipyridine)ruthenium(II) in zeolite Y

    International Nuclear Information System (INIS)

    DeWilde, W.; Peeters, G.; Lunsford, J.H.

    1980-01-01

    Tris(2,2'-bipyridine)ruthenium(II) complexes have been synthesized within the large cavities of dehydrated Y-type zeolites by allowing bipyridine to react with a Ru(NH 3 ) 6 -Y form of the zeolite. The resulting Ru(bpy) 3 2+ complexes are characterized by absorption and emission bands similar to those found in aqueous solutions. The relatively high concentration of the Ru(bpy) 3 2+ complexes resulted in concentration quenching. As the addition of water to the samples approached saturation, the luminescence was quenched; however, small amounts of water increased the luminescence in a sample which contained 2.8 complexes per unit cell. Emission was also quenched upon addition of O 2 to the zeolite, with the effect being more pronounced in samples having a smaller concentration of complexes. 30 references, 6 figures, 1 table

  4. Solid-state polymerisation via [2+2] cycloaddition reaction involving coordination polymers.

    Science.gov (United States)

    Medishetty, Raghavender; Park, In-Hyeok; Lee, Shim Sung; Vittal, Jagadese J

    2016-03-14

    Highly crystalline metal ions containing organic polymers are potentially useful to manipulate the magnetic and optical properties to make advanced multifunctional materials. However, it is challenging to synthesise monocrystalline metal complexes of organic polymers and single-phase hybrid materials made up of both coordination and organic polymers by traditional solution crystallisation. This requires an entirely different approach in the solid-state by thermal or photo polymerisation of the ligands. Among the photochemical methods available, [2+2] cycloaddition reaction has been recently employed to generate cyclobutane based coordination polymers from the metal complexes. Cyclobutane polymers have also been integrated into coordination polymers in this way. Recent advancements in the construction of polymeric chains of cyclobutane rings through photo-dimerisation reaction in the monocrystalline solids containing metal complexes, coordination polymers and metal-organic framework structures are discussed here.

  5. Tetraethylammonium (2,2′-bipyridinetetracyanidocobaltate(III sesquihydrate acetonitrile solvate

    Directory of Open Access Journals (Sweden)

    Ganna Lyubartseva

    2010-04-01

    Full Text Available The title complex, (C8H20N[Co(CN4(C10H8N2]·CH3CN·1.5H2O, consists of tetraethyl ammonium cations, mononuclear [CoIIIbpy(CN4]− anions and uncoordinated water and acetonitrile molecules. The CoIII atom is six-coordinated by two 2,2′-bipyridine (bpy N atoms and four cyanide C atoms in a distorted octahedral geometry. The acute bite angle of the chelating bpy [82.28 (8°] is the main factor accounting for this distortion. In addition, the tetraethylammonium cation is significantly disordered [occupancy ratio 0.611 (3:0.389 (3]. The presence of water molecules, one of which is disordered over two positions about an inversion center, results in the formation of a network of O—H...N hydrogen bonds involving the cyanide N atoms.

  6. L-J phase in a Cu2.2Mn0.8Al alloy

    Science.gov (United States)

    Jeng, S. C.; Liu, T. F.

    1995-06-01

    A new type of precipitate (designated L-J phase) with two variants was observed within the (DO3 + L21) matrix in a Cu2.2Mn0.8Al alloy. Transmission electron microscopy examinations indicated that the L-J phase has an orthorhombic structure with lattice parameters a = 0.413 nm, b = 0.254 nm and c = 0.728 nm. The orientation relationship between the L-J phase and the matrix is (100)L-J//(011) m , (010)L-J//(111) m and (001)L-J//(211) m . The rotation axis and rotation angle between two variants of the L-J phase are [021] and 90 deg. The L-J phase has never been observed in various Cu-Al, Cu-Mn, and Cu-Al-Mn alloy systems before.

  7. ARTS, the Atmospheric Radiative Transfer Simulator - version 2.2, the planetary toolbox edition

    Science.gov (United States)

    Buehler, Stefan A.; Mendrok, Jana; Eriksson, Patrick; Perrin, Agnès; Larsson, Richard; Lemke, Oliver

    2018-04-01

    This article describes the latest stable release (version 2.2) of the Atmospheric Radiative Transfer Simulator (ARTS), a public domain software for radiative transfer simulations in the thermal spectral range (microwave to infrared). The main feature of this release is a planetary toolbox that allows simulations for the planets Venus, Mars, and Jupiter, in addition to Earth. This required considerable model adaptations, most notably in the area of gaseous absorption calculations. Other new features are also described, notably radio link budgets (including the effect of Faraday rotation that changes the polarization state) and the treatment of Zeeman splitting for oxygen spectral lines. The latter is relevant, for example, for the various operational microwave satellite temperature sensors of the Advanced Microwave Sounding Unit (AMSU) family.

  8. Crystal structure of beryllium amide, Be(NH2)2

    International Nuclear Information System (INIS)

    Jacobs, H.

    1976-01-01

    The x-ray investigation of single crystals of beryllium amide led to the following results. The compound crystallizes tetragonally a = 10.170 +- 0.005 A, c = 16.137 +- 0.008 A, and c/a = 1.587. The space group is I4 1 /acd. The lattice contains 32 formula units. The positions of all atoms including hydrogen were determined. The structure of Be(NH 2 ) 2 can be described by a strongly deformed cubic closepacking of anions. The cations occupy tetrahedral interstices so that 4 Be 2+ ions form a regular tetrahedron with the shortest Be-Be distances. This causes units, which can be described by Be 4 (NH 2 ) 6 (NH 2 ) 4 / 2 whereas the outer 4 amide ions serve as bridging anions to give a threedimensional arrangement. The orientation of the amide ions is given and compared with earlier results on similar metal amides. (author)

  9. Effect of Particle Association on 2,2'-Bipyridyl Adsorption onto Kaolinite.

    Science.gov (United States)

    Helmy, A. K.; Ferreiro, E. A.; de Bussetti, S. G.

    2000-05-15

    The effect of particle concentration, in kaolin suspensions, on the adsorption of 2,2'-bipyridyl was studied. Adsorption expressed in units of micromoles per gram decreased as a result of the increase in particle concentration and also as a result of the presence of coagulant (0.25 M NaCl). Dispersion treatment with sodium hexametaphosphate increased the adsorption of bipyridyl. The decrease in adsorption with the increase in particle concentration suggests a possible relation between adsorption and flocculation phenomena. On the basis of classic flocculation theory a straight-line relation was obtained between the square root of the adsorption maximum (mmol/L) and particle concentration (g/L). It is concluded that particle association, which is a function of particle concentration, reduces the surface/aqueous interface and consequently the adsorption of bipyridyl. Copyright 2000 Academic Press.

  10. Electron mobility and saturation of ion yield in 2,2,4,4-tetramethylpentane

    International Nuclear Information System (INIS)

    Poffenberger, P.R.; Astbury, A.; Fincke-Keeler, M.; Keeler, R.K.; Li, Y.; Robertson, L.P.; Rosvick, M.; Schenk, P.; Oram, C.; Sobie, R.

    1993-01-01

    The electron drift mobility μ and zero field free ion yield G fi 0 have been measured for liquid 2,2,4,4-tetramethylpentane using a waveform analysis. The saturation of the ion yield for highly ionizing radiation has also been investigated and parameterized using the Birks' equation. The results obtained are μ=26.3±0.8 cm 2 /V s, G fi 0 =0.743±0.029 electrons/100 eV, and a Birks' factor ranging from kB=0.222±0.014 cm/MeV at 604 V/cm to kB=0.141±0.021 cm/MeV at 3625 V/cm. (orig.)

  11. Observations on the Reliability of Rubidium Frequency Standards on Block 2/2A GPS Satellites

    Science.gov (United States)

    Dieter, Gary L.

    1996-01-01

    Currently, the block 2/2A Global Positioning System (GPS) satellites are equipped with two rubidium frequency standards. These frequency standards were originally intended to serve as the back-ups to two cesium frequency standards. As the constellation ages, the master Control Station is forced to initialize and increasing number or rubidium frequency standards. Unfortunately the operational use of these frequency standards has not lived up to initial expectations. Although the performance of these rubidium frequency standards has met and even exceeded GPS requirements, their reliability has not. The number of unscheduled outage times and the short operational lifetimes of the rubidium frequency standards compare poorly to the track record of the cesium frequency standards. Only a small number of rubidium frequency standards have actually been made operational. Of these, a large percentage have exhibited poor reliability. If this trend continues, it is unlikely that the rubidium frequency standards will help contribute to the navigation payload meeting program specification.

  12. Planar geometry of 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki cross-coupling reactions

    Energy Technology Data Exchange (ETDEWEB)

    Luong Thi, T. T., E-mail: thuyltt@hnue.edu.vn; Nguyen Bich, N.; Nguyen, H. [Hanoi National University of Education, Chemistry Department (Viet Nam); Van Meervelt, L., E-mail: luc.vanmeervelt@chem.kuleuven.be [KU Leuven, Chemistry Department (Belgium)

    2015-12-15

    Two 4-substituted 2,2'-bipyridines, namely 4-(ferrocenylethynyl)-2,2'-bipyridine (I) and 4-ferrocenyl-2,2'-bipyridine (II) have been synthesized and fully characterized via single-crystal X-ray diffraction and {sup 1}H and {sup 13}C NMR analyses. The π-conjugated system designed from 2,2'-bipyridine modified with the ferrocenylethynyl and ferrocenyl groups shows the desired planarity. In the crystal packing of I and II, the molecules arrange themselves in head-to-tail and head-to-head motifs, respectively, resulting in consecutive layers of ferrocene and pyridine moieties.

  13. Radiosensitization of pancreatic cancer cells by 2',2'-difluoro-2'-deoxycytidine

    International Nuclear Information System (INIS)

    Lawrence, Theodore S.; Chang, Emily Y.; Hahn, Tina M.; Hertel, Larry W.; Shewach, Donna S.

    1996-01-01

    Purpose: We have reported that the deoxycytidine analog 2',2'-difluoro-2'-deoxycytidine (dFdCyd) is a potent radiosensitizer of HT29 human colon cancer cells probably through its effects on intracellular deoxyribonucleotide (dNTP) pools. Because dFdCyd has activity against pancreatic cancer in clinical trials, we wished to determine if dFdCyd would radiosensitize human pancreatic cancer cells. Methods and Materials: We assessed the effect of dFdCyd on radiation sensitivity of two human pancreatic cancer cell lines, Panc-1 and BxPC-3. To begin to investigate the mechanism of sensitization, we determined the effect of dFdCyd on dNTP pools and cell cycle distribution. Results: We found that dFdCyd produced radiation enhancement ratios of 1.7-1.8 under noncytotoxic conditions in both cell lines. Sensitization was not associated with intracellular levels of 2',2'-difluoro-2'-deoxycytidine triphosphate, the cytotoxic metabolite of dFdCyd, but occurred when dATP pools were depleted below the level of approximately 1 μM. Although both cell lines showed substantial cell cycle redistribution after drug treatment, the flow cytogram of the BxPC-3 cells would not, by itself, be anticipated to result in increased radiation sensitivity. Conclusions: These findings demonstrate that dFdCyd is a potent radiation sensitizer of human pancreatic cancer cells and support the development of a clinical protocol using combined dFdCyd and radiation therapy in the treatment of pancreatic cancer

  14. Crystal structures of 1,4-diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate and 1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate: the influence of solvent upon the stoichiometry of the formed salt

    Directory of Open Access Journals (Sweden)

    Aina Mardia Akhmad Aznan

    2014-07-01

    Full Text Available The 1:1 co-crystallization of 1,4-diazabicyclo[2.2.2]octane (DABCO with 4-nitrobenzoic acid in ethanol–water (3/1 gave the salt dihydrate C6H13N2+·C7H4NO4−·2H2O, (1, whereas from methanol, the salt C6H14N22+·2C7H4NO4−, (2, was isolated. In (1, the cation and anion are linked by a strong N—H...O hydrogen bond, and the carboxylate anion is close to planar [dihedral angle between terminal residues = 6.83 (9°]. In (2, a three-ion aggregate is assembled by two N—H...O hydrogen bonds, and the carboxylate anions are again close to planar [dihedral angles between terminal residues = 1.7 (3 and 5.9 (3°]. Through the intervention of solvent water molecules, which self-assemble into helical supramolecular chains along the b axis, the three-dimensional architecture in (1 is stabilized by water–DABCO O—H...N and water–carboxylate O—H...O hydrogen bonds, with additional stability afforded by C—H...O interactions. The global crystal structure comprises alternating layers of water molecules and ion pairs stacked along the c axis. In the crystal of (2, the three-ion aggregates are assembled into a three-dimensional architecture by a large number of methylene–carboxylate/nitro C—H...O interactions as well as π–π contacts between inversion-related benzene rings [inter-centroid distances = 3.5644 (16 and 3.6527 (16 Å]. The cations and anions assemble into alternating layers along the c axis.

  15. Laser ignitibility of insensitive secondary explosive 1,1-diamino-2,2-dinitroethene (FOX-7)

    International Nuclear Information System (INIS)

    Fang, Xiao; McLuckie, Warren G

    2015-01-01

    Highlights: • Carbon black (CB) is an efficient optical sensitizer compatible with 1,1-diamino-2,2-dinitroethene (FOX-7). • A CB doped insensitive explosive FOX-7 can be ignited by a low-power diode laser. • Laser ignitibility of the optically sensitized FOX-7 is mainly affected by laser power among the other parameters. • Inhomogeneities in the explosive affect laser ignition reliability. - Abstract: An experimental investigation into laser ignitibility of insensitive secondary explosives, 1,1-diamino-2,2-dinitroethene (FOX-7) has been carried out, using a diode laser of continuous wave at the laser wavelength of 974 nm. The direct optical ignition of an insensitive explosive will add more safety features to insensitive munitions (IM) or explosive devices. In this study, effects of laser parameters on the ignitibility were analysed in terms of laser ignition threshold, the times to initiate the ignition and full combustion, and burning sustainability. The results have shown that carbon black (CB) as an optical sensitizer is compatible with FOX-7, and significantly enhances laser ignitibility of the explosive when a small amount of CB is uniformly doped in FOX-7. The delay times for ignition and subsequent development of sustainable burning of the material are mainly determined by ignition laser power, although the other laser parameters have effects. The minimum laser power required to ignite the optically sensitized FOX-7 was found below 10 W and a fast ignition was initiated in as short as 70 μs by a laser power of 40 W. Also the effect of the mixture uniformity of FOX-7/CB on laser ignition performance was evaluated in this study

  16. Ionochromic effects and structures of metalated poly(p-phenylenevinylene) polymers incorporating 2,2'-bipyridines

    International Nuclear Information System (INIS)

    Chen, L.X.; Jager, W.J.H.; Gosztola, D.J.; Niemczyk, M.P.; Wasielewski, M.R.

    2000-01-01

    The effects of metal ion chelation to the 2,2'-bipyridine (bpy) groups on the photophysics and exciton dynamics of two conjugated polymers 1 and 2 in solution are investigated. The structures of polymers 1 and 2 have 2,2'-bipyridyl-5-vinylene units that alternate with one and three 2,5-bis(n-decyloxy)-1,4-phenylenevinylene monomer units, respectively. The photophysics and exciton dynamics of metalated polymers 1 and 2 are compared to those of the metal-free polymers (Chen et al. J. Phys. Chem. A 1999, 103, 4341-4351). The origins of ionochromic effects due the metal ion chelation were studied using both steady-state and transient optical spectroscopy, and the results indicate that both conformational flattening and participation of Jr electrons from the metal in the π-conjugation of the polymer backbone play important roles in metal ion binding induced red shifts in absorption and photoluminescence spectra. The photoluminescence properties of the metalated polymers are determined by the metal ion electronic structures, where the closed shell Zn 2+ -bound polymer 2 has an increased photoluminescence quantum yield and the corresponding open shell Ni 2+ - or Fe 3+ -bound polymers have quenched photoluminescence due to spin-orbit coupling. The dual character of metalated polymer 2 as a conjugated polymer and as a metal-bpy complex is discussed. In addition, the structures of metal ion binding sites are studied via X-ray absorption fine structure (XAFS) and are related to the photophysical properties of the metalated polymers

  17. Piezoelectric Performance and Hydrostatic Parameters of Novel 2-2-Type Composites.

    Science.gov (United States)

    Topolov, Vitaly Yu; Bowen, Christopher R; Krivoruchko, Andrey V

    2017-10-01

    This paper provides a detailed study of the structure-piezoelectric property relationships and the hydrostatic response of 2-2-Type composites based on relaxor-ferroelectric 0.72 Pb (Mg 1/3 Nb 2/3 )O 3 -0.28PbTiO 3 single crystal (SC) material. Type I layers in the composite system are represented by a single-domain [111]-poled SC. Changes in the orientation of the crystallographic axes in the Type I layer are undertaken to determine the maximum values of the hydrostatic piezoelectric coefficients d h ∗ , g h ∗ , and e h ∗ , and squared figure of merit d h ∗ g h ∗ of the composite. The Type II layers are a 0-3 composite whereby inclusions of modified PbTiO 3 ceramic are distributed in a polymer matrix. A new effect is described for the first time due to the impact of anisotropic elastic properties of the Type II layers on the hydrostatic piezoelectric response that is coupled with the polarization orientation effect in the Type I layers. Large hydrostatic parameters g h ∗ ≈ 300 -400 mV · m/N, e h ∗ ≈ 40 -45 C/ [Formula: see text], and d h ∗ g h ∗  ∼ 10 -11 Pa -1 are achieved in the composite based on the 0.72 Pb(Mg 1/3 Nb 2/3 )O 3 -0.28PbTiO 3 SC. Examples of the large piezoelectric anisotropy ( |d 33 ∗ /d 3f ∗ | ≥ 5 or | g 33 ∗ /g 3f ∗ | ≥ 5 ) are discussed. The hydrostatic parameters of this novel compositesystem are compared to those of conventional 2-2 piezocomposites.

  18. Tuning of tantalum alkylidene reactivity with a terdentate arylamine ligand : synthesis, structure and reactivity of [TaCl2{C6H3(CH2NMe2)2-2,6}(CHBu-tert)

    NARCIS (Netherlands)

    Abbenhuis, H.C.L.; Grove, D.M.; Koten, van G.; Sluijs, van der P.; Spek, A.L.

    1990-01-01

    The terdentate aryldiamine ligand in the aryltantalum(V) alkylidene complex [TaCl2{C6H3(CH2NMe2)2-2,6}(CHBut)] (1) controls alkylidene reactivity in a range of metal-mediated Wittig reactions. An X-ray diffraction study of (1) shows that the hexacoordinate tantalum centre has a very irregular ligand

  19. Muonium atoms in liquid and solid neopentane

    International Nuclear Information System (INIS)

    Ng, B.W.; Stadlbauer, J.M.; Jean, Y.C.; Walker, D.C.

    1982-10-01

    Relatively long-lived muonium atoms have been observed in neopentane (2,2-dimethylpropane). The yields of all muon states are found to be essentially the same in liquid and solid neopentane and the same as those in water. These results have bearings on three matters of current interest in muonium chemistry: the origin of the 'background' spin relaxation; the formation mechanisms; and the change in yields at the liquid-solid phase transition. These data were obtained by the μSR technique (muon spin rotation) at the TRIUMF accelerator

  20. "Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li+-benzene

    Science.gov (United States)

    D'Arcy, Jordan H.; Kolmann, Stephen J.; Jordan, Meredith J. T.

    2015-08-01

    Quantum and anharmonic effects are investigated in (H2)2-Li+-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials, using rigid-body diffusion Monte Carlo (RBDMC) simulations. The potential-energy surface (PES) is calculated as a modified Shepard interpolation of M05-2X/6-311+G(2df,p) electronic structure data. The RBDMC simulations yield zero-point energies (ZPE) and probability density histograms that describe the ground-state nuclear wavefunction. Binding a second H2 molecule to the H2-Li+-benzene complex increases the ZPE of the system by 5.6 kJ mol-1 to 17.6 kJ mol-1. This ZPE is 42% of the total electronic binding energy of (H2)2-Li+-benzene and cannot be neglected. Our best estimate of the 0 K binding enthalpy of the second H2 to H2-Li+-benzene is 7.7 kJ mol-1, compared to 12.4 kJ mol-1 for the first H2 molecule. Anharmonicity is found to be even more important when a second (and subsequent) H2 molecule is adsorbed; use of harmonic ZPEs results in significant error in the 0 K binding enthalpy. Probability density histograms reveal that the two H2 molecules are found at larger distance from the Li+ ion and are more confined in the θ coordinate than in H2-Li+-benzene. They also show that both H2 molecules are delocalized in the azimuthal coordinate, ϕ. That is, adding a second H2 molecule is insufficient to localize the wavefunction in ϕ. Two fragment-based (H2)2-Li+-benzene PESs are developed. These use a modified Shepard interpolation for the Li+-benzene and H2-Li+-benzene fragments, and either modified Shepard interpolation or a cubic spline to model the H2-H2 interaction. Because of the neglect of three-body H2, H2, Li+ terms, both fragment PESs lead to overbinding of the second H2 molecule by 1.5 kJ mol-1. Probability density histograms, however, indicate that the wavefunctions for the two H2 molecules are effectively identical on the "full" and fragment PESs. This suggests that the 1.5 kJ mol-1 error is

  1. "Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li(+)-benzene.

    Science.gov (United States)

    D'Arcy, Jordan H; Kolmann, Stephen J; Jordan, Meredith J T

    2015-08-21

    Quantum and anharmonic effects are investigated in (H2)2-Li(+)-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials, using rigid-body diffusion Monte Carlo (RBDMC) simulations. The potential-energy surface (PES) is calculated as a modified Shepard interpolation of M05-2X/6-311+G(2df,p) electronic structure data. The RBDMC simulations yield zero-point energies (ZPE) and probability density histograms that describe the ground-state nuclear wavefunction. Binding a second H2 molecule to the H2-Li(+)-benzene complex increases the ZPE of the system by 5.6 kJ mol(-1) to 17.6 kJ mol(-1). This ZPE is 42% of the total electronic binding energy of (H2)2-Li(+)-benzene and cannot be neglected. Our best estimate of the 0 K binding enthalpy of the second H2 to H2-Li(+)-benzene is 7.7 kJ mol(-1), compared to 12.4 kJ mol(-1) for the first H2 molecule. Anharmonicity is found to be even more important when a second (and subsequent) H2 molecule is adsorbed; use of harmonic ZPEs results in significant error in the 0 K binding enthalpy. Probability density histograms reveal that the two H2 molecules are found at larger distance from the Li(+) ion and are more confined in the θ coordinate than in H2-Li(+)-benzene. They also show that both H2 molecules are delocalized in the azimuthal coordinate, ϕ. That is, adding a second H2 molecule is insufficient to localize the wavefunction in ϕ. Two fragment-based (H2)2-Li(+)-benzene PESs are developed. These use a modified Shepard interpolation for the Li(+)-benzene and H2-Li(+)-benzene fragments, and either modified Shepard interpolation or a cubic spline to model the H2-H2 interaction. Because of the neglect of three-body H2, H2, Li(+) terms, both fragment PESs lead to overbinding of the second H2 molecule by 1.5 kJ mol(-1). Probability density histograms, however, indicate that the wavefunctions for the two H2 molecules are effectively identical on the "full" and fragment PESs. This suggests that

  2. Statistical geological discrete fracture network model. Forsmark modelling stage 2.2

    International Nuclear Information System (INIS)

    Fox, Aaron; La Pointe, Paul; Simeonov, Assen; Hermanson, Jan; Oehman, Johan

    2007-11-01

    The Swedish Nuclear Fuel and Waste Management Company (SKB) is performing site characterization at two different locations, Forsmark and Laxemar, in order to locate a site for a final geologic repository for spent nuclear fuel. The program is built upon the development of Site Descriptive Models (SDMs) at specific timed data freezes. Each SDM is formed from discipline-specific reports from across the scientific spectrum. This report describes the methods, analyses, and conclusions of the geological modeling team with respect to a geological and statistical model of fractures and minor deformation zones (henceforth referred to as the geological DFN), version 2.2, at the Forsmark site. The geological DFN builds upon the work of other geological modelers, including the deformation zone (DZ), rock domain (RD), and fracture domain (FD) models. The geological DFN is a statistical model for stochastically simulating rock fractures and minor deformation zones as a scale of less than 1,000 m (the lower cut-off of the DZ models). The geological DFN is valid within four specific fracture domains inside the local model region, and encompassing the candidate volume at Forsmark: FFM01, FFM02, FFM03, and FFM06. The models are build using data from detailed surface outcrop maps and the cored borehole record at Forsmark. The conceptual model for the Forsmark 2.2 geological revolves around the concept of orientation sets; for each fracture domain, other model parameters such as size and intensity are tied to the orientation sets. Two classes of orientation sets were described; Global sets, which are encountered everywhere in the model region, and Local sets, which represent highly localized stress environments. Orientation sets were described in terms of their general cardinal direction (NE, NW, etc). Two alternatives are presented for fracture size modeling: - the tectonic continuum approach (TCM, TCMF) described by coupled size-intensity scaling following power law distributions

  3. Statistical geological discrete fracture network model. Forsmark modelling stage 2.2

    Energy Technology Data Exchange (ETDEWEB)

    Fox, Aaron; La Pointe, Paul [Golder Associates Inc (United States); Simeonov, Assen [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Hermanson, Jan; Oehman, Johan [Golder Associates AB, Stockholm (Sweden)

    2007-11-15

    The Swedish Nuclear Fuel and Waste Management Company (SKB) is performing site characterization at two different locations, Forsmark and Laxemar, in order to locate a site for a final geologic repository for spent nuclear fuel. The program is built upon the development of Site Descriptive Models (SDMs) at specific timed data freezes. Each SDM is formed from discipline-specific reports from across the scientific spectrum. This report describes the methods, analyses, and conclusions of the geological modeling team with respect to a geological and statistical model of fractures and minor deformation zones (henceforth referred to as the geological DFN), version 2.2, at the Forsmark site. The geological DFN builds upon the work of other geological modelers, including the deformation zone (DZ), rock domain (RD), and fracture domain (FD) models. The geological DFN is a statistical model for stochastically simulating rock fractures and minor deformation zones as a scale of less than 1,000 m (the lower cut-off of the DZ models). The geological DFN is valid within four specific fracture domains inside the local model region, and encompassing the candidate volume at Forsmark: FFM01, FFM02, FFM03, and FFM06. The models are build using data from detailed surface outcrop maps and the cored borehole record at Forsmark. The conceptual model for the Forsmark 2.2 geological revolves around the concept of orientation sets; for each fracture domain, other model parameters such as size and intensity are tied to the orientation sets. Two classes of orientation sets were described; Global sets, which are encountered everywhere in the model region, and Local sets, which represent highly localized stress environments. Orientation sets were described in terms of their general cardinal direction (NE, NW, etc). Two alternatives are presented for fracture size modeling: - the tectonic continuum approach (TCM, TCMF) described by coupled size-intensity scaling following power law distributions

  4. An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.

    Science.gov (United States)

    DeKorver, Kyle A; Hsung, Richard P; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C

    2012-06-15

    A cascade of Pd-catalyzed N-to-C allyl transfer-intramolecular ketenimine-[2 + 2] cycloadditions of N-allyl ynamides is described. This tandem sequence is highly stereoselective and the [2 + 2] cycloaddition could be rendered in a crossed or fused manner depending on alkene substitutions, leading to bridged and fused bicycloimines.

  5. A scalable synthesis of 5,5'-dibromo-2,2'-bipyridine and its stepwise functionalization via Stille couplings.

    Science.gov (United States)

    D'Souza, Daniel M; Leigh, David A; Papmeyer, Marcus; Woltering, Steffen L

    2012-11-01

    The synthesis of 5,5'-dibromo-2,2'-bipyridine and 5-bromo-2,2'-bipyridine, useful intermediates for elaboration into more complex ligands through metal-catalyzed coupling reactions, can be efficiently conducted on a multigram scale from inexpensive starting materials. The described procedure is reliably scalable and suitable for the synthesis of tens of grams of 5,5'-dibromo-2,2'-bipyridine. 5-Bromo-2,2'-bipyridine is produced as a minor product. The 5,5'-disubstituted-2,2'-bipyridine motif has excellent coordination properties and is a versatile building block for the synthesis of functional materials (including biodiagnostics, photovoltaics and organic light-emitting diodes) and complex molecular topologies (including catenanes and trefoil and pentafoil knots). The selective stepwise functionalization of 5,5'-dibromo-2,2'-bipyridine by consecutive Stille couplings is therefore illustrated and documented in detail. The synthesis of 5,5'-dibromo-2,2'-bipyridine takes 4-5 d: 1 d to prepare the key intermediate 2,2'-bipyridine dihydrobromide, 3 d for its reaction with bromine in a steel bomb reaction vessel and 8 h to isolate and purify the final product.

  6. Biderivations of W-algebra $W(2,2)$ and Virasoro algebra without skewsymmetric condition and their applications

    OpenAIRE

    Tang, Xiaomin

    2016-01-01

    In this paper, we characterize the biderivations of W-algebra $W(2,2)$ and Virasoro algebra $Vir$ without skewsymmetric condition. We get two classes of non-inner biderivations. As applications, we also get the forms of linear commuting maps on W-algebra $W(2,2)$ and Virasoro algebra $Vir$.

  7. MARFA version 3.2.2 user's manual: migration analysis of radionuclides in the far field

    International Nuclear Information System (INIS)

    Painter, Scott; Mancillas, James

    2009-12-01

    The computer code Migration Analysis of Radionuclides in the Far Field (MARFA) uses a particle-based Monte Carlo method to simulate the transport of radionuclides in a sparsely fractured geological medium. Transport in sparsely fractured rock is of interest because this medium may serve as a barrier to migration of radionuclides to the accessible environment. The physical processes represented in MARFA include advection, longitudinal dispersion, Fickian diffusion into an infinite or finite rock matrix, equilibrium sorption, decay, and in-growth. Multiple non-branching decay chains of arbitrary length are supported. This document describes the technical basis and input requirements for MARFA Version 3.2.2. MARFA Version 3.2 included new capabilities to accommodate transient flow velocities and sorption parameters, which are assumed to be piecewise constant in time. Version 3.2.1 was a minor change from Version 3.2 to allow a more convenient input format for sorption information. New capabilities in Version 3.2.2 include an option to specify a non-zero start time for the simulation, an optional input parameter that decreases the amount of retention within a single fracture because of flow channeling, and an alternative method for sampling the radionuclide source. MARFA uses the particle on random streamline segment algorithm /Painter et al. 2006/, a Monte Carlo algorithm combining time-domain random walk methods with pathway stochastic simulation. The algorithm uses non-interacting particles to represent packets of radionuclide mass. These particles are moved through the system according to rules that mimic the underlying physical transport and retention processes. The set of times required for particles to pass through the geological barrier are then used to reconstruct discharge rates (mass or activity basis). Because the algorithm uses non-interacting particles, the transport and retention processes are limited to those that depend linearly on radionuclide

  8. ORIGEN-2.2, Isotope Generation and Depletion Code Matrix Exponential Method

    International Nuclear Information System (INIS)

    2002-01-01

    1 - Description of problem or function: ORIGEN is a computer code system for calculating the buildup, decay, and processing of radioactive materials. ORIGEN2 is a revised version of ORIGEN and incorporates updates of the reactor models, cross sections, fission product yields, decay data, and decay photon data, as well as the source code. ORIGEN-2.1 replaces ORIGEN and includes additional libraries for standard and extended-burnup PWR and BWR calculations, which are documented in ORNL/TM-11018. ORIGEN2.1 was first released in August 1991 and was replaced with ORIGEN2 Version 2.2 in June 2002. Version 2.2 was the first update to ORIGEN2 in over 10 years and was stimulated by a user discovering a discrepancy in the mass of fission products calculated using ORIGEN2 V2.1. Code modifications, as well as reducing the irradiation time step to no more than 100 days/step reduced the discrepancy from ∼10% to 0.16%. The bug does not noticeably affect the fission product mass in typical ORIGEN2 calculations involving reactor fuels because essentially all of the fissions come from actinides that have explicit fission product yield libraries. Thus, most previous ORIGEN2 calculations that were otherwise set up properly should not be affected. 2 - Method of solution: ORIGEN uses a matrix exponential method to solve a large system of coupled, linear, first-order ordinary differential equations with constant coefficients. ORIGEN2 has been variably dimensioned to allow the user to tailor the size of the executable module to the problem size and/or the available computer space. Dimensioned arrays have been set large enough to handle almost any size problem, using virtual memory capabilities available on most mainframe and 386/486 based PCS. The user is provided with much of the framework necessary to put some of the arrays to several different uses, call for the subroutines that perform the desired operations, and provide a mechanism to execute multiple ORIGEN2 problems with a single

  9. Human metapneumovirus M2-2 protein inhibits innate immune response in monocyte-derived dendritic cells.

    Directory of Open Access Journals (Sweden)

    Junping Ren

    Full Text Available Human metapneumovirus (hMPV is a leading cause of lower respiratory infection in young children, the elderly and immunocompromised patients. Repeated hMPV infections occur throughout life. However, immune evasion mechanisms of hMPV infection are largely unknown. Recently, our group has demonstrated that hMPV M2-2 protein, an important virulence factor, contributes to immune evasion in airway epithelial cells by targeting the mitochondrial antiviral-signaling protein (MAVS. Whether M2-2 regulates the innate immunity in human dendritic cells (DC, an important family of immune cells controlling antigen presenting, is currently unknown. We found that human DC infected with a virus lacking M2-2 protein expression (rhMPV-ΔM2-2 produced higher levels of cytokines, chemokines and IFNs, compared to cells infected with wild-type virus (rhMPV-WT, suggesting that M2-2 protein inhibits innate immunity in human DC. In parallel, we found that myeloid differentiation primary response gene 88 (MyD88, an essential adaptor for Toll-like receptors (TLRs, plays a critical role in inducing immune response of human DC, as downregulation of MyD88 by siRNA blocked the induction of immune regulatory molecules by hMPV. Since M2-2 is a cytoplasmic protein, we investigated whether M2-2 interferes with MyD88-mediated antiviral signaling. We found that indeed M2-2 protein associated with MyD88 and inhibited MyD88-dependent gene transcription. In this study, we also identified the domains of M2-2 responsible for its immune inhibitory function in human DC. In summary, our results demonstrate that M2-2 contributes to hMPV immune evasion by inhibiting MyD88-dependent cellular responses in human DC.

  10. User`s Guide for the NREL Force and Loads Analysis Program. Version 2.2

    Energy Technology Data Exchange (ETDEWEB)

    Wright, A D

    1992-08-01

    The following report gives the reader an overview of and instructions on the proper use of the National Renewable Energy Laboratory Force and Loads Analysis Program (FLAP, version 2.2). It is intended as a tool for prediction of rotor and blade loads and response for two- or three-bladed rigid hub wind turbines. The effects of turbulence are accounted for. The objectives of the report are to give an overview of the code and also show the methods of data input and correct code execution steps in order to model an example two-bladed rigid hub turbine. A large portion of the discussion (Sections 6.0, 7.0, and 8.0) is devoted to the subject of inputting and running the code for wind turbulence effects. The ability to include turbulent wind effects is perhaps the biggest change in the code since the release of FLAP version 2.01 in 1988. This report is intended to be a user`s guide. It does not contain a theoretical discussion on equations of motion, assumptions, underlying theory, etc. It is intended to be used in conjunction with Wright, Buhl, and Thresher (1988).

  11. Configuration and stability of 1, 1-diamino-2, 2-dinitrothylene (FOX-7) embedded in graphene

    International Nuclear Information System (INIS)

    Wang, Yan Qun; Wang, Gui Xiang

    2016-01-01

    The configuration and stability of 1,1-diamino-2,2-dinitroethylene (FOX-7) embedded in graphene were studied using density functional theory with all-electron double numerical polarized basis sets. The results suggested that graphene had a greater impact on the planarity of FOX-7 molecules than did H-bonding. Under the synergistic effect of graphene and H-bonding, the geometry of H-bonded FOX-7 embedded in graphene was flatter than that of FOX-7 without H-bonds, which facilitated π–π stacking, as well as the stability of FOX-7 in graphene. The conjugated structure of FOX-7 contributed to its stability between layers of graphene. When the conjugated structure in FOX-7 was completely disrupted, the stabilization energy decreased by 48.6%. This theoretical work is useful for gaining new insights into the microscopic interaction of energetic molecules with graphene, and it will provide theoretical guidance for the encapsulation and storage of energetic materials

  12. Epithelial binding of 1,1,2,2-tetrachloroethane in the respiratory and upper alimentary tract

    International Nuclear Information System (INIS)

    Eriksson, C.; Brittebo, E.B.

    1991-01-01

    The bioactivation and binding of 14 C-labelled 1,1,2,2-tetrachloroethane (TCE) in the tissues of C57B1 mice were studied. As shown by autoradiography with heated and organic solvent-extracted tissue sections of i.v. injected mice, a high and selective localization of bound metabolites occurred in the nasal olfactory mucosa, preferentially in the Bowman's glands. High levels of bound metabolites were also present in epithelia of the trachea, bronchi and bronchioli and in the squamous epithelia of the oral cavity, tongue and esophagus. An epithelial binding was observed in tissue slices incubated with 14 C-TCE. Incubation of 14 C-TCE with homogenates of the olfactory mucosa and liver showed that the olfactory mucosa had a higher ability to activate 14 C-TCE into products that become irreversibly bound to protein. Addition of metyrapone, glutathione or sodium dithionite to the incubations decreased the level of irreversible binding, suggesting that the activation of TCE to reactive products is mediated via an oxidative cytochrome P-450 dependent process in the olfactory mucosa. (orig.)

  13. EOS MLS Level 1B Data Processing, Version 2.2

    Science.gov (United States)

    Perun, Vincent; Jarnot, Robert; Pickett, Herbert; Cofield, Richard; Schwartz, Michael; Wagner, Paul

    2009-01-01

    A computer program performs level- 1B processing (the term 1B is explained below) of data from observations of the limb of the Earth by the Earth Observing System (EOS) Microwave Limb Sounder (MLS), which is an instrument aboard the Aura spacecraft. This software accepts, as input, the raw EOS MLS scientific and engineering data and the Aura spacecraft ephemeris and attitude data. Its output consists of calibrated instrument radiances and associated engineering and diagnostic data. [This software is one of several computer programs, denoted product generation executives (PGEs), for processing EOS MLS data. Starting from level 0 (representing the aforementioned raw data, the PGEs and their data products are denoted by alphanumeric labels (e.g., 1B and 2) that signify the successive stages of processing.] At the time of this reporting, this software is at version 2.2 and incorporates improvements over a prior version that make the code more robust, improve calibration, provide more diagnostic outputs, improve the interface with the Level 2 PGE, and effect a 15-percent reduction in file sizes by use of data compression.

  14. 183-W, M2 = 2.4 Yb:YAG Q -switched laser

    International Nuclear Information System (INIS)

    Honea, E.C.; Beach, R.J.; Mitchell, S.C.; Avizonis, P.V.

    1999-01-01

    We have fabricated a diode-array end-pumped Yb:YAG rod laser with output powers greater than 200thinspthinspW cw and 195thinspthinspW Q -switched at 5thinspthinspkHz. At an output power of 183thinspthinspW and a repetition rate of 5thinspthinspkHz, the beam quality was measured to be M 2 =2.4 . The laser design incorporates a hollow lens duct to concentrate the diode pump light for delivery to the end of the laser rod while maintaining access to the laser beam. This configuration provides increased flexibility for the resonator design and permits the use of birefringence compensation in the cavity to yield polarized output with increased efficiency. Using the recently described birefringence compensation method of Clarkson et al.thinspthinsp[in Conference on Lasers and Electro-Optics (Optical Society of America, Washington, D.C., 1998), paper CTuI3], we obtained 112thinspthinspW of cw power with a polarized beam of M 2 =3.2 . copyright 1999 Optical Society of America

  15. Tubular immunostimulating complex based on cucumarioside A2-2 and monogalactosyldiacylglycerol from marine macrophytes

    Directory of Open Access Journals (Sweden)

    Vorobyeva Natalia S

    2011-09-01

    Full Text Available Abstract Background There is an urgent need to develop safe and effective adjuvants for the new generation of subunit vaccines. We developed the tubular immunostimulating complex (TI-complex as a new nanoparticulate antigen delivery system. The morphology and composition of TI-complexes principally differ from the known vesicular immunostimulating complexes (ISCOMs. However, methodology for the preparation of TI-complexes has suffered a number of shortcomings. The aim of the present work was to obtain an antigen carrier consisting of triterpene glycosides from Cucumaria japonica, cholesterol, and monogalactosyldiacylglycerol from marine macrophytes with reproducible properties and high adjuvant activity. Results The cucumarioside A2-2 - cholesterol - MGalDG ratio of 6:2:4 (by weight was found to provide the most effective formation of TI-complexes and the minimum hemolytic activity in vitro. Tubules of TI-complexes have an outer diameter of about 16 nm, an inner diameter of 6 nm, and a length of 500 nm. A significant dilution by the buffer gradually destroyed the tubular nanoparticles. The TI-complex was able to increase the immunogenicity of the protein antigens from Yersinia pseudotuberculosis by three to four times. Conclusions We propose an optimized methodology for the preparation of homogeneous TI-complexes containing only tubular particles, which would achieve reproducible immunization results. We suggest that the elaborated TI-complexes apply as a universal delivery system for different subunit antigens within anti-infectious vaccines and enhance their economic efficacy and safety.

  16. Configuration and stability of 1, 1-diamino-2, 2-dinitrothylene (FOX-7) embedded in graphene

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yan Qun [College of Chemistry and Environmental Engineering, Yangtze University, Jingzhou (China); Wang, Gui Xiang [School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing (China)

    2016-10-15

    The configuration and stability of 1,1-diamino-2,2-dinitroethylene (FOX-7) embedded in graphene were studied using density functional theory with all-electron double numerical polarized basis sets. The results suggested that graphene had a greater impact on the planarity of FOX-7 molecules than did H-bonding. Under the synergistic effect of graphene and H-bonding, the geometry of H-bonded FOX-7 embedded in graphene was flatter than that of FOX-7 without H-bonds, which facilitated π–π stacking, as well as the stability of FOX-7 in graphene. The conjugated structure of FOX-7 contributed to its stability between layers of graphene. When the conjugated structure in FOX-7 was completely disrupted, the stabilization energy decreased by 48.6%. This theoretical work is useful for gaining new insights into the microscopic interaction of energetic molecules with graphene, and it will provide theoretical guidance for the encapsulation and storage of energetic materials.

  17. Chemical transformation of 3-bromo-2,2-bis(bromomethyl)-propanol under basic conditions.

    Science.gov (United States)

    Ezra, Shai; Feinstein, Shimon; Bilkis, Itzhak; Adar, Eilon; Ganor, Jiwchar

    2005-01-15

    The mechanism of the spontaneous decomposition of 3-bromo-2,2-bis(bromomethyl)propanol (TBNPA) and the kinetics of the reaction of the parent compound and two subsequent products were determined in aqueous solution at temperatures from 30 to 70 degrees C and pH from 7.0 to 9.5. TBNPA is decomposed by a sequence of reactions that form 3,3-bis(bromomethyl)oxetane (BBMO), 3-bromomethyl-3-hydroxymethyloxetane (BMHMO), and 2,6-dioxaspiro[3.3]-heptane (DOH), releasing one bromide ion at each stage. The pseudo-first-order rate constant of the decomposition of TBNPA increases linearlywith the pH. The apparent activation energy of this transformation (98+/-2 KJ/mol) was calculated from the change of the effective second-order rate constant with temperature. The pseudoactivation energies of BBMO and BMHMO were estimated to be 109 and 151 KJ/mol, respectively. Good agreement was found between the rate coefficients derived from changes in the organic molecules concentrations and those determined from the changes in the Br- concentrations. TBNPA is the most abundant semivolatile organic pollutant in the aquitard studied, and together with its byproducts they posess an environmental hazard. TBNPA half-life is estimated to be about 100 years. This implies that high concentrations of TBNPA will persist in the aquifer long after the elimination of all its sources.

  18. Strontium PVC-membrane sensor based on 2-[(2-mercaptophenylimino)methyl]phenol

    Energy Technology Data Exchange (ETDEWEB)

    Zamani, Hassan Ali [Young Researchers Club, Quchan branch, Islamic Azad University, Quchan (Iran, Islamic Republic of)], E-mail: haszamani@yahoo.com; Ganjali, Mohammad Reza; Norouzi, Parviz [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Endocrine and Metabolism Research Center, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Adib, Mahdi [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of)

    2008-01-10

    The 2-[(2-mercaptophenylimino)methyl]phenol (MPMP) was used as an excellent ionophore in the construction of a Sr{sup 2+} PVC-based membrane sensor. The best performance was obtained with a membrane composition of 30% poly(vinyl chloride), 62% nitrobenzen (NB), 5.5% MPMP and 2.5% sodium tetraphenyl borate (NaTBP). This sensor demonstrates a good selectivity and sensitivity towards the strontium ion for many cations, including alkali, alkaline earth, transition and heavy metal ions. The sensor revealed a great enhancement in selectivity coefficients for strontium ions in comparison with the previously reported strontium sensors. The proposed sensor exhibits a Nernstian behavior (with a slope of 29.6 {+-} 0.3 mV per decade) for the concentration range of (1.0 x 10{sup -6}-1.0 x 10{sup -1} M) with a detection limit of 5.5 x 10{sup -7} M (48.2 ng/mL). It illustrates a relatively fast response time in the whole concentration range (< 10 s) and it can be used for at least 10 weeks in a pH range of 2.8-9.6. The developed sensor was successfully used as an indicator electrode in the Sr(II) titration with EDTA and the Sr{sup 2+} ion recovery from binary mixtures.

  19. Pressure-Induced Enhanced Magnetic Anisotropy in Mn(N(CN)2)2

    Energy Technology Data Exchange (ETDEWEB)

    Quintero, P. A. [University of Florida, Gainesville; Rajan, D. [University of Florida, Gainesville; Peprah, M. K. [University of Florida, Gainesville; Brinzari, T. V. [University of Florida, Gainesville; Fishman, Randy Scott [ORNL; Talham, Daniel R. [University of Florida, Gainesville; Meisel, Mark W. [University of Florida, Gainesville

    2015-01-01

    Using DC and AC magnetometry, the pressure dependence of the magnetization of the threedimensional antiferromagnetic coordination polymer Mn(N(CN)2)2 was studied up to 12 kbar and down to 8 K. The magnetic transition temperature, Tc, increases dramatically with applied pressure (P), where a change from Tc(P = ambient) = 16:0 K to Tc(P = 12:1 kbar) = 23:5 K was observed. In addition, a marked difference in the magnetic behavior is observed above and below 7.1 kbar. Specifically, for P < 7:1 kbar, the differences between the field-cooled and zero-field-cooled (fc-zfc) magnetizations, the coercive field, and the remanent magnetization decrease with increasing pressure. However, for P > 7:1 kbar, the behavior is inverted. Additionally, for P > 8:6 kbar, minor hysteresis loops are observed. All of these effects are evidence of the increase of the superexchange interaction and the appearance of an enhanced exchange anisotropy with applied pressure.

  20. Electronic and ionization spectra of 1,1-diamino-2,2-dinitroethylene, FOX-7.

    Science.gov (United States)

    Borges, Itamar

    2014-03-01

    Singlet, triplet and ionized states of the energetic molecule 1,1-diamino-2,2-dinitroethylene, known as FOX-7 or DADNE, were investigated using the symmetry-adapted-cluster configuration interaction (SAC-CI) ab initio wave function. The 20 computed singlet transitions, with 2 exceptions, were bright. The most intense singlet transitions were of the n₀→π type-typical of molecules having nitro groups. Fast intersystem crossing (ISC) from the 1¹A, 2¹A and 8¹A bright singlet transitions is possible. Other feasible ISC processes are discussed. The computed singlet and ionization spectra have similar features when compared to nitramide and N,N-dimethylnitramine molecules, which have only a nitro group. The ionization energies of the first 20 states have differences in comparison with Koopmans' energy values that can reach 3 eV. Moreover, the character of the first ionized states, dominated by single ionizations, is not the same when compared with the character resulting from application of Koopmans' theorem.

  1. Crystal structure of ethyl 2-(diethoxyphosphoryl-2-(2,3,4-trimethoxyphenylacetate

    Directory of Open Access Journals (Sweden)

    Moritz Schubert

    2014-09-01

    Full Text Available The title compound, C17H27O8P, was prepared by Michaelis–Arbuzov reaction of ethyl 2-bromo-2-(2,3,4-trimethoxyphenylacetate and triethyl phosphite. Such compounds rarely crystallize, but single crystals were recovered after the initial oil was left for approximately 10 years. The bond angle of the sp3-hybridized C atom connecting the benzene derivative with the phospho unit is widened marginally [112.5 (2°]. The terminal P—O bond length of 1.464 (2 Å clearly indicates a double bond, whereas the two O atoms of the ethoxy groups connected to the phosphorous atom have bond lengths of 1.580 (2 Å and 1.581 (3 Å. The three methoxy groups emerge out of the benzene-ring plane due to steric hindrance [C—C—O—C torsion angles = −179.9 (3°, −52.9 (4° and 115.3 (4°]. In the crystal, inversion dimers linked by pairs of C—H...O=P hydrogen bonds generate R22(14 loops. The chosen crystal was modelled as a non-merohedral twin.

  2. UV-Induced [2+2] Grafting-To Reactions for Polymer Modification of Cellulose.

    Science.gov (United States)

    Conradi, Matthias; Ramakers, Gijs; Junkers, Thomas

    2016-01-01

    Benzaldehyde-functional cellulose paper sheets have been synthesized via tosylation of cellulose (Whatman No 5) followed by addition of p-hydroxy benzaldehyde. Via UV-induced Paterno-Büchi [2+2] cycloaddition reactions, these aldehyde functional surfaces are grafted with triallylcyanurate, trimethylolpropane allyl ether, and vinyl chloroacetate. In the following, allyl-functional polymers (poly(butyl acrylate), pBA, Mn = 6990 g mol(-1) , Đ = 1.12 and poly(N-isopropyl acrylamide), pNIPAAm, Mn = 9500 g mol(-1) , Đ = 1.16) synthesized via reversible addition fragmentation chain transfer polymerization are conjugated to the celloluse surface in a UV-induced grafting-to approach. With pBA, hydrophobic cellulose sheets are obtained (water contact angle 116°), while grafting of pNIPAAm allows for generation of "smart" surfaces, which are hydrophilic at room temperature, but that become hydrophobic when heated above the characteristic lower critical solution temperature (93° contact angle). The Paterno-Büchi reaction has been shown to be a versatile synthetic tool that also performs well in grafting-to approaches whereby its overall performance seems to be close to that of radical thiol-ene reactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Chiral cyclometalation of 6-(1-phenylbenzyl)-2,2'-bipyridine.

    Science.gov (United States)

    Stoccoro, Sergio; Maidich, Luca; Ruiu, Tiziana; Cinellu, Maria Agostina; Clarkson, Guy James; Zucca, Antonio

    2015-11-07

    A new bipyridine ligand, 6-(1-phenylbenzyl)-2,2'-bipyridine, has been prepared by a multistep synthesis starting from the corresponding substituted pyridine. The coordinating properties of the new ligand have been tested with two d(8) metal ions, Pt(ii) and Pd(ii), to give the cyclometalated complexes [Pt(N,N,C)Cl] and [Pd(N,N,C)Cl], where N,N,C is a terdentate deprotonated bipyridine containing a new stereogenic carbon atom directly generated by C-H bond activation. The single-crystal of the platinum complex has been solved by X-ray diffraction. DFT calculations confirm the presence of a PtH interaction that stabilizes one of the two possible conformers by 14.7 kJ mol(-1) for Pt and 12.9 kJ mol(-1) for Pd. The energy barrier to pass from one conformer to the other is 25.4 and 23.8 kJ mol(-1) respectively. Under different reaction conditions, regioselective activation of a pyridine C-H bond gave the less common cyclometalated rollover complex [Pt(L-H)Me(DMSO)], which was isolated and characterised.

  4. Form factors of descendant operators: reduction to perturbed M(2,2s+1) models

    International Nuclear Information System (INIS)

    Lashkevich, Michael; Pugai, Yaroslav

    2015-01-01

    In the framework of the algebraic approach to form factors in two-dimensional integrable models of quantum field theory we consider the reduction of the sine-Gordon model to the Φ 13 -perturbation of minimal conformal models of the M(2,2s+1) series. We find in an algebraic form the condition of compatibility of local operators with the reduction. We propose a construction that make it possible to obtain reduction compatible local operators in terms of screening currents. As an application we obtain exact multiparticle form factors for the compatible with the reduction conserved currents T ±2k , Θ ±(2k−2) , which correspond to the spin ±(2k−1) integrals of motion, for any positive integer k. Furthermore, we obtain all form factors of the operators T 2k T −2l , which generalize the famous TT̄ operator. The construction is analytic in the s parameter and, therefore, makes sense in the sine-Gordon theory.

  5. High Pressure-Temperature Phase Diagram of 1,1-diamino-2,2-dinitroethylene

    Science.gov (United States)

    Bishop, Matthew; Chellappa, Raja; Liu, Zhenxian; Preston, Daniel; Sandstrom, Mary; Dattelbaum, Dana; Vohra, Yogesh; Velisavljevic, Nenad

    2013-06-01

    1,1-diamino-2,2-dinitroethelyne (FOX-7) is a less sensitive energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ) . In this study, we have investigated the high P-T stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra confirmed the known α --> β (110 °C) and β --> γ (160 °C) phase transitions; as well as, indicated an additional phase transition, γ --> δ (210°C), with the δ phase being stable up to 250 °C prior to melt/decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa revealed that the α --> β transition occurs at 180 °C, while β --> β + δ phase transition shifted to 300 °C with suppression of γ phase. Decomposition was observed above 325 °C. Based on multiple high P-T measurements, we have established the first high P-T phase diagram of FOX-7. This work was, in part, supported by the US DOE under contract No. DE-AC52-06NA25396 and Science Campaign 2 Program. MB acknowledges additional support from the NSF BD program. Use of NSLS (DE-AC02-98CH10886) beamline U2A (COMPRES, No.EAR01-35554, CDAC).

  6. High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

    International Nuclear Information System (INIS)

    Bishop, M M; Dattelbaum, D M; Velisavljevic, N; Chellappa, R S; Liu, Z; Preston, D N; Sandstrom, M M; Vohra, Y K

    2014-01-01

    1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ). In this study, we have investigated the high pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (∼110 °C) and α → β (∼160 °C) structural phase transitions; as well as, indicated an additional transition γ → (∼210 °C), with the δ phase being stable up to ∼251 °C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 °C, while β → β+δ phase transition shifted to ∼300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa.

  7. High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

    Science.gov (United States)

    Bishop, M. M.; Chellappa, R. S.; Liu, Z.; Preston, D. N.; Sandstrom, M. M.; Dattelbaum, D. M.; Vohra, Y. K.; Velisavljevic, N.

    2014-05-01

    1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ). In this study, we have investigated the high pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (~110 °C) and α → β (~160 °C) structural phase transitions; as well as, indicated an additional transition γ → (~210 °C), with the δ phase being stable up to ~251 °C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 °C, while β → β+δ phase transition shifted to ~300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa.

  8. High-gradient operators in the psl(2|2 Gross–Neveu model

    Directory of Open Access Journals (Sweden)

    Alessandra Cagnazzo

    2015-03-01

    Full Text Available It has been observed more than 25 years ago that sigma model perturbation theory suffers from strongly RG-relevant high-gradient operators. The phenomenon was first seen in 1-loop calculations for the O(N vector model and it is known to persist at least to two loops. More recently, Ryu et al. suggested that a certain deformation of the psl(N|N WZNW-model at level k=1, or equivalently the psl(N|N  Gross–Neveu model, could be free of RG-relevant high-gradient operators and they tested their suggestion to leading order in perturbation theory. In this note we establish the absence of strongly RG-relevant high-gradient operators in the psl(2|2 Gross–Neveu model to all loops. In addition, we determine the spectrum for a large subsector of the model at infinite coupling and observe that all scaling weights become half-integer. Evidence for a conjectured relation with the CP1|2 sigma model is not found.

  9. Experimental demonstration of outdoor 2.2 Tbps super-channel FSO transmission system

    KAUST Repository

    Esmail, Maged Abdullah; Ragheb, Amr; Fathallah, Habib; Alouini, Mohamed-Slim

    2016-01-01

    Free space optic (FSO) is a wireless technology that promises high speed data rate with low deployment cost. Next generation wireless networks require more bandwidth which is not supported by todays wireless techniques. FSO can be a potential candidate for last mile bottle neck in wireless network and for many other applications. In this paper, we experimentally demonstrate a high speed FSO system using super-channel source and multi-format transmitter. The FSO system was installed outdoor on the building roof over 11.5 m distance and built using off-the-shelf components. We designed a comb source capable of generating multi-subcarriers with flexible spacing. Also we designed a multi-format transmitter capable of generating different complex modulation schemes. For single carrier transmission, we were able to transmit a 23 Gbaud 16-QAM signal over FSO link, achieving 320 Gbps with 6 b/s/Hz spectral efficiency. Then using our super-channel system, 12 equal gain subcarriers are generated and modulated by a DP-16QAM signal with different symbol rates. We achieved maximum symbol rate of 23 Gbaud (i.e. 2.2 Tbps) and spectral efficiency of 7.2 b/s/Hz. © 2016 IEEE.

  10. Asymmetrically Substituted and π-Conjugated 2,2'-Bipyridine Derivatives: Synthesis, Spectroscopy, Computation, and Crystallography.

    Science.gov (United States)

    Bodapati, Ramakrishna; Sarma, Monima; Kanakati, Arunkumar; Das, Samar K

    2015-12-18

    A new series of monosubstituted styryl- and bistyryl-2,2'-bipyridine luminophores (compounds 16-23) have been synthesized via Horner-Wadsworth-Emmons reaction involving a monophosphonate and donor aromatic aldehydes. In the title chromophores, the amino donors are varied between acyclic and cyclic while the alkoxy donors are varied in terms of their number and position. The absorption maxima of these chromophores shift predominantly due to intramolecular charge transfer (ICT) between different donor and acceptor moieties. The title donor-acceptor molecules exhibit intense fluorescence in solution at room temperature, and their emissive behavior has been found to be highly sensitive to solvent polarity. The fluorescence spectra and quantum yields of all the chromophores were recorded in four different solvent media, and the chromophores 16, 17, 19, and 21 exhibit fluorescence in the solid state too. The influence of the nature and position of the donor functionalities in the conjugated backbone of the bipyridine moiety on the electronic absorption properties of the title chromophores (16-23) has been demonstrated, which has further been corroborated by DFT and TD-DFT computation both in gas phase and in solution phase. The crystal structure of compound 18 has been described as a representative member of the family (16-23).

  11. Experimental demonstration of outdoor 2.2 Tbps super-channel FSO transmission system

    KAUST Repository

    Esmail, Maged Abdullah

    2016-07-26

    Free space optic (FSO) is a wireless technology that promises high speed data rate with low deployment cost. Next generation wireless networks require more bandwidth which is not supported by todays wireless techniques. FSO can be a potential candidate for last mile bottle neck in wireless network and for many other applications. In this paper, we experimentally demonstrate a high speed FSO system using super-channel source and multi-format transmitter. The FSO system was installed outdoor on the building roof over 11.5 m distance and built using off-the-shelf components. We designed a comb source capable of generating multi-subcarriers with flexible spacing. Also we designed a multi-format transmitter capable of generating different complex modulation schemes. For single carrier transmission, we were able to transmit a 23 Gbaud 16-QAM signal over FSO link, achieving 320 Gbps with 6 b/s/Hz spectral efficiency. Then using our super-channel system, 12 equal gain subcarriers are generated and modulated by a DP-16QAM signal with different symbol rates. We achieved maximum symbol rate of 23 Gbaud (i.e. 2.2 Tbps) and spectral efficiency of 7.2 b/s/Hz. © 2016 IEEE.

  12. Synthesis and characterization of novel 2, 2'-bipyrimidine fluorescent derivative for protein binding

    Directory of Open Access Journals (Sweden)

    Padalkar Vikas S

    2011-11-01

    Full Text Available Abstract Background Fluorescent dyes with biocompatible functional group and good fluorescence behavior are used as biosensor for monitoring different biological processes as well as detection of protein assay. All reported fluorophore used as sensors are having high selectivity and sensitivity but till there is more demand to synthesized new fluorophore which have improved fluorescence properties and good biocompatibility. Results Novel 4, 4'-(1, 1'-(5-(2-methoxyphenoxy-[2, 2'-bipyrimidine]-4, 6-diylbis(1H-pyrazol-3, 1-diyl dianiline fluorescent dye was synthesized by multistep synthesis from 2-phenylacetonitrile, 2-chloropyrimidine and 2-methoxyphenol. This dye has absorption at 379 nm with intense single emission at 497 nm having fairly good quantum yield (0.375 and Stokes shift. The intermediates and dye were characterized by FT-IR, 1H NMR, 13C NMR and Mass spectral analysis. The pyrazole bipyrimidine based fluorescent dye possessing two amino groups suitable for binding with protein is reported. Its utility as a biocompatible conjugate was explained by conjugation with bovine serum albumin. The method is based on direct fluorescence detection of fluorophore-labelled protein before and after conjugation. Purified fluorescent conjugate was subsequently analyzed by fluorimetry. The analysis showed that the tested conjugation reaction yielded fluorescent conjugates of the dye through carbodiimide chemistry. Conclusion In summery synthesized fluorophore pyrazole-bipyrimidine has very good interaction towards protein bovine serum albumin and it acts as good candidate for protein assay.

  13. Investigation on the interaction between bovine serum albumin and 2,2-diphenyl-1-picrylhydrazyl

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiangrong [Department of Chemistry, School of Basic Medicine, Xinxiang Medical University, Xinxiang, Henan 453003 (China); Chen, Dejun; Wang, Gongke [School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, 46 Jian-she Road, Mu Ye District, Xinxiang, Henan 453007 (China); Lu, Yan, E-mail: 1842457577@qq.com [School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, 46 Jian-she Road, Mu Ye District, Xinxiang, Henan 453007 (China)

    2014-12-15

    Albumin represents a very abundant and important circulating antioxidant in plasma. In this paper, the ability of bovine serum albumin (BSA) to scavenge 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical has been investigated using UV–vis absorption spectra. The result shows that the antioxidant activity of BSA against DPPH radical is similar to glutathione and the value of IC{sub 50} is 5.153×10{sup −5} mol L{sup −1}. The interaction between BSA and DPPH has been investigated without or with the eight popular antioxidants (L-ascorbic acid, α-tocopherol, glutathione, melatonin, (+)-catechin hydrate, procyanidine B3, β-carotene and astaxanthin) by means of fluorescence spectroscopy and circular dichroism (CD) spectroscopy. The fluorescence experiments show that DPPH quenches the fluorescence intensity of BSA through a static mechanism. The quenching process of DPPH with BSA is easily affected by the eight antioxidants, however, they cannot change the quenching mechanism of DPPH with BSA. Additionally, as shown by synchronous fluorescence spectroscopy and CD, DPPH may induce conformational and microenvironmental changes of BSA. - Highlights: • The antioxidant activity of BSA against DPPH is similar to glutathione. • DPPH can quench the fluorescence of BSA through a static quenching. • One molecule of DPPH radical reduced by one molecule of BSA. • The eight antioxidants cannot change the quenching mechanism of DPPH with BSA. • The binding parameters are decreased by the introduction of the eight antioxidants.

  14. 2-(2-Pyridyl) Benzimidazole Analogs and their beta-Glucuronidase Inhibitory Activity

    International Nuclear Information System (INIS)

    Kamil, A.; Noureen, S.

    2015-01-01

    Synthesis of 2-(2-Pyridyl) benzimidazole analogs 1-11 have been carried out and evaluated for in vitro beta-glucuronidase inhibitory potential. The compounds 4 (IC/sub 50/ = 4.06 ± 0.34 meuM), 5 (IC/sub 50/ = 09.63 ± 0.81 meuM), 1 (IC/sub 50/ = 19.66 ± 0.44 meuM), 7 (IC/sub 50/ = 24.75 ± 0.25 meuM), 6 (IC/sub 50/ = 26.30 ± 1.37 meuM), and 3 (IC/sub 50/ = 32.11 ± 0.89 meuM), showed beta-glucuronidase inhibitory activity superior to the standard D-saccharic acid 1,4-lactone, with (IC/sub 50/ = 48.4 ± 1.25 meuM). Based on structure-activity relationship, we discover a new class of potent beta-glucuronidase inhibitors. (author)

  15. Robe's Restricted Problem of 2 + 2 Bodies with a Roche Ellipsoid - Triaxial System

    Science.gov (United States)

    Aggarwal, Rajiv; Kaur, Bhavneet; Yadav, Sushil

    2018-03-01

    This paper investigates the motion of two infinitesimal masses on the location and stability of the equilibrium points in Robe's restricted problem of 2 + 2 bodies with the bigger primary a Roche ellipsoid and the smaller a triaxial body. We suppose the bigger primary of mass m 1 to be filled with a homogeneous incompressible fluid of density ρ 1. The third and the fourth bodies (of mass m 3 and m 4 respectively) are small solid spheres of density ρ 3 and ρ 4 respectively inside the ellipsoid, with the assumption that the mass and the radius of the third and the fourth body are infinitesimal. We assume that m 2 is describing a circle around m 1. The masses m 3 and m 4 mutually attract each other, do not influence the motion of m 1 and m 2 but are influenced by them. We have taken into consideration all the three components of the pressure field in deriving the expression for the buoyancy force viz (i) due to the own gravitational field of the fluid (ii) that originating in the attraction of m 2 (iii) that arising from the centrifugal force. In this paper, equilibrium solutions of m 3 and m 4 and their linear stability are analyzed.

  16. The photoinduced dynamics of X[M(dmit)2]2 salts

    International Nuclear Information System (INIS)

    Ishikawa, Tadahiko; Koshihara, Shinya; Hayes, Stuart A; Miller, R J Dwayne; Hada, Masaki

    2017-01-01

    We review our work on the photoinduced dynamics of X[M(dmit) 2 ] 2 salts in the charge-separated (CS) phase from the viewpoints of both electronic structural change and lattice or molecular structural change. The driving force for the CS phase formation is a strong correlation among the charge distribution, orbital energies, and the molecular structure; this is in contrast to frequently studied charge-ordered systems such as EDOTTF 2 PF 6 , whose formation is mainly driven by the intersite Coulomb repulsion. Despite the localized nature of the structural component, the cooperativity inherent to the crystal is likely to play an important role in photoinduced phenomena. In this review, we summarize the results obtained by a series of optical pump-probe experiments on this class of materials. We have also recently extended these studies using ultrafast electron diffraction to follow the nuclear motion in one of these systems. Such information is crucial for a full understanding of the photoinduced phenomena and it is anticipated that combining the results of the optical and diffraction studies will lead to more fruitful insight than either technique can offer in isolation. (paper)

  17. Tracing symmetries and their breakdown through phases of heterotic (2,2) compactifications

    Energy Technology Data Exchange (ETDEWEB)

    Blaszczyk, Michael [Johannes-Gutenberg-Universität,Staudingerweg 7, 55099 Mainz (Germany); Oehlmann, Paul-Konstantin [Bethe Center for Theoretical Physics, Physikalisches Institut der Universität Bonn,Nussallee 12, 53115 Bonn (Germany)

    2016-04-12

    We are considering the class of heterotic N=(2,2) Landau-Ginzburg orbifolds with 9 fields corresponding to A{sub 1}{sup 9} Gepner models. We classify all of its Abelian discrete quotients and obtain 152 inequivalent models closed under mirror symmetry with N=1,2 and 4 supersymmetry in 4D. We compute the full massless matter spectrum at the Fermat locus and find a universal relation satisfied by all models. In addition we give prescriptions of how to compute all quantum numbers of the 4D states including their discrete R-symmetries. Using mirror symmetry of rigid geometries we describe orbifold and smooth Calabi-Yau phases as deformations away from the Landau-Ginzburg Fermat locus in two explicit examples. We match the non-Fermat deformations to the 4D Higgs mechanism and study the conservation of R-symmetries. The first example is a ℤ{sub 3} orbifold on an E{sub 6} lattice where the R-symmetry is preserved. Due to a permutation symmetry of blow-up and torus Kähler parameters the R-symmetry stays conserved also in the smooth Calabi-Yau phase. In the second example the R-symmetry gets broken once we deform to the geometric ℤ{sub 3}×ℤ{sub 3,free} orbifold regime.

  18. Tracing symmetries and their breakdown through phases of heterotic (2,2) compactifications

    International Nuclear Information System (INIS)

    Blaszczyk, Michael; Oehlmann, Paul-Konstantin

    2016-01-01

    We are considering the class of heterotic N=(2,2) Landau-Ginzburg orbifolds with 9 fields corresponding to A 1 9 Gepner models. We classify all of its Abelian discrete quotients and obtain 152 inequivalent models closed under mirror symmetry with N=1,2 and 4 supersymmetry in 4D. We compute the full massless matter spectrum at the Fermat locus and find a universal relation satisfied by all models. In addition we give prescriptions of how to compute all quantum numbers of the 4D states including their discrete R-symmetries. Using mirror symmetry of rigid geometries we describe orbifold and smooth Calabi-Yau phases as deformations away from the Landau-Ginzburg Fermat locus in two explicit examples. We match the non-Fermat deformations to the 4D Higgs mechanism and study the conservation of R-symmetries. The first example is a ℤ 3 orbifold on an E 6 lattice where the R-symmetry is preserved. Due to a permutation symmetry of blow-up and torus Kähler parameters the R-symmetry stays conserved also in the smooth Calabi-Yau phase. In the second example the R-symmetry gets broken once we deform to the geometric ℤ 3 ×ℤ 3,free orbifold regime.

  19. Tracing symmetries and their breakdown through phases of heterotic (2,2) compactifications

    Science.gov (United States)

    Blaszczyk, Michael; Oehlmann, Paul-Konstantin

    2016-04-01

    We are considering the class of heterotic N=(2,2) Landau-Ginzburg orbifolds with 9 fields corresponding to A 1 9 Gepner models. We classify all of its Abelian discrete quotients and obtain 152 inequivalent models closed under mirror symmetry with N=1 , 2 and 4 supersymmetry in 4D. We compute the full massless matter spectrum at the Fermat locus and find a universal relation satisfied by all models. In addition we give prescriptions of how to compute all quantum numbers of the 4D states including their discrete R-symmetries. Using mirror symmetry of rigid geometries we describe orbifold and smooth Calabi-Yau phases as deformations away from the Landau-Ginzburg Fermat locus in two explicit examples. We match the non-Fermat deformations to the 4D Higgs mechanism and study the conservation of R-symmetries. The first example is a Z_3 orbifold on an E6 lattice where the R-symmetry is preserved. Due to a permutation symmetry of blow-up and torus Kähler parameters the R-symmetry stays conserved also in the smooth Calabi-Yau phase. In the second example the R-symmetry gets broken once we deform to the geometric Z_3× Z_{3,free} orbifold regime.

  20. 2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine (ADAM): an improved serotonin transporter ligand

    Energy Technology Data Exchange (ETDEWEB)

    Oya, Shunichi; Choi, S.-R.; Hou, Catherine; Mu Mu; Kung, M.-P.; Acton, Paul D.; Siciliano, Michael; Kung, Hank F. E-mail: kunghf@sunmac.spect.upenn.edu

    2000-04-01

    Serotonin transporters (SERT) are target-sites for commonly used antidepressants, such as fluoxetine, paroxetine, sertraline, and so on. Imaging of these sites in the living human brain may provide an important tool to evaluate the mechanisms of action as well as to monitor the treatment of depressed patients. Synthesis and characterization of an improved SERT imaging agent, ADAM (2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine)(7) was achieved. The new compound, ADAM(7), displayed an extremely potent binding affinity toward SERT (K{sub i}=0.013 nM, in membrane preparations of LLC-PK{sub 1}-cloned cell lines expressing the specific monoamine transporter). ADAM(7) also showed more than 1,000-fold selectivity for SERT over norepinephrine transporter (NET) and dopamine transporter (DAT) (K{sub i}=699 and 840 nM, for NET and DAT, respectively). The radiolabeled compound [{sup 125}I]ADAM(7) showed an excellent brain uptake in rats (1.41% dose at 2 min post intravenous [IV] injection), and consistently displayed the highest uptake (between 60-240 min post IV injection) in hypothalamus, a region with the highest density of SERT. The specific uptake of [{sup 125}I]ADAM(7) in the hypothalamus exhibited the highest target-to-nontarget ratio ([hypothalamus - cerebellum]/cerebellum was 3.97 at 120 min post IV injection). The preliminary imaging study of [{sup 123}I]ADAM in the brain of a baboon by single photon emission computed tomography (SPECT) at 180-240 min post IV injection indicated a specific uptake in midbrain region rich in SERT. These data suggest that the new ligand [{sup 123}I]ADAM(7) may be useful for SPECT imaging of SERT binding sites in the human brain.

  1. 2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine (ADAM): an improved serotonin transporter ligand

    International Nuclear Information System (INIS)

    Oya, Shunichi; Choi, S.-R.; Hou, Catherine; Mu Mu; Kung, M.-P.; Acton, Paul D.; Siciliano, Michael; Kung, Hank F.

    2000-01-01

    Serotonin transporters (SERT) are target-sites for commonly used antidepressants, such as fluoxetine, paroxetine, sertraline, and so on. Imaging of these sites in the living human brain may provide an important tool to evaluate the mechanisms of action as well as to monitor the treatment of depressed patients. Synthesis and characterization of an improved SERT imaging agent, ADAM (2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine)(7) was achieved. The new compound, ADAM(7), displayed an extremely potent binding affinity toward SERT (K i =0.013 nM, in membrane preparations of LLC-PK 1 -cloned cell lines expressing the specific monoamine transporter). ADAM(7) also showed more than 1,000-fold selectivity for SERT over norepinephrine transporter (NET) and dopamine transporter (DAT) (K i =699 and 840 nM, for NET and DAT, respectively). The radiolabeled compound [ 125 I]ADAM(7) showed an excellent brain uptake in rats (1.41% dose at 2 min post intravenous [IV] injection), and consistently displayed the highest uptake (between 60-240 min post IV injection) in hypothalamus, a region with the highest density of SERT. The specific uptake of [ 125 I]ADAM(7) in the hypothalamus exhibited the highest target-to-nontarget ratio ([hypothalamus - cerebellum]/cerebellum was 3.97 at 120 min post IV injection). The preliminary imaging study of [ 123 I]ADAM in the brain of a baboon by single photon emission computed tomography (SPECT) at 180-240 min post IV injection indicated a specific uptake in midbrain region rich in SERT. These data suggest that the new ligand [ 123 I]ADAM(7) may be useful for SPECT imaging of SERT binding sites in the human brain

  2. Omega version 2.2: Rule-based deterioration identification and management system. Final report

    International Nuclear Information System (INIS)

    Kataoka, S.; Kojima, T.; Pavinich, W.A.; Andrews, J.D.

    1996-06-01

    This report presents the Omega Version 2.2 (Ωs) rule-based computer program for identifying material deteriorations in the metallic structures, systems and components of LWR nuclear power units. The basis of Us is that understanding what material deteriorations might occur as a function of service life is fundamental to: (1) the development and optimization of preventive maintenance programs, (2) ensuring that current maintenance programs recognize applicable degradations, and (3) demonstrating the adequacy of deterioration management to safety regulatory authorities. The system was developed to assist utility engineers in determining which aging degradation mechanisms are acting on specific components. Direction is also provided to extend this system to manage deterioration and evaluate the efficacy of existing age-related degradation mitigation programs. This system can provide support for justification for continued operation and license renewal. It provides traceability to the data sources used in the logic development. A tiered approach is used to quickly isolate potential age-related degradation for components in a particular location. A potential degradation mechanism is then screened by additional rules to establish its plausibility. Ωs includes a user-friendly system interface and provides default environmental data and materials in the event they are unknown to the user. Ωs produces a report, with references, that validates the elimination of a degradation mechanism from further consideration or the determination that a specific degradation mechanism is acting on a specific material. This report also describes logic for identifying deterioration caused by intrusions and inspection-based deteriorations, along with future plans to program and integrate these features with Ωs

  3. Spectrophotometric determination of yttrium with 2-(2-thiazolylazo)-5-dimethylaminophenol

    International Nuclear Information System (INIS)

    Tsurumi, Chikao; Furuya, Keiichi.

    1975-01-01

    Spectrophotometric determination of small amounts of yttrium with 2-(2-thiazolylazo)-5-dimethylaminophenol (TAM) in the presence of zephiramine was investigated. The recommended procedures were as follows; 2.0 ml of water, 7.0 ml of TAM-methanolic solution (2x10 -4 mol/l) and 2.0 ml of zephiramine-aqueous solution (1x10 -2 mol/l) were added to a solution containing less than 35 μg of yttrium and its pH was adjusted to 8.0 with 0.1 mol/l ammonium chloride-0.1 mol/l ammonium hydroxide solution. The solution was transferred to a 25 ml volumetric flask and diluted to the mark with water. After 20 minutes, the absorbance at 575 nm against a reagent blank was measured. The color of yttrium-TAM complex is reddish-violet in the presence of zephiramine and is stable for 90 minutes after color development. The yttrium-TAM complex shows an absorption maximum at 575 nm. The absorbance at 575 nm is constant in a pH range from 7.5 to 8.3. The molar extinction coefficient at this wavelength is 7.2x10 4 l.mol -1 .cm -1 . The band obeys Beer's law up to the concentration of 1.4 μg/ml of yttrium. The molar ratio of yttrium to TAM in the complex is 1 : 2. A number of ions interfere with the determination can be masked by the addition of various masking agents and removed in terms of trioctylamine-xylene extraction. Manganese, tantalum, tin(II), citrate and tartrate ions interfere with the determination. (auth.)

  4. Intravascular ultrasonic-photoacoustic (IVUP) endoscope with 2.2-mm diameter catheter for medical imaging.

    Science.gov (United States)

    Bui, Nhat Quang; Hlaing, Kyu Kyu; Nguyen, Van Phuc; Nguyen, Trung Hau; Oh, Yun-Ok; Fan, Xiao Feng; Lee, Yong Wook; Nam, Seung Yun; Kang, Hyun Wook; Oh, Junghwan

    2015-10-01

    Intravascular ultrasound (IVUS) imaging is extremely important for detection and characterization of high-risk atherosclerotic plaques as well as gastrointestinal diseases. Recently, intravascular photoacoustic (IVPA) imaging has been used to differentiate the composition of biological tissues with high optical contrast and ultrasonic resolution. The combination of these imaging techniques could provide morphological information and molecular screening to characterize abnormal tissues, which would help physicians to ensure vital therapeutic value and prognostic significance for patients before commencing therapy. In this study, integration of a high-frequency IVUS imaging catheter (45MHz, single-element, unfocused, 0.7mm in diameter) with a multi-mode optical fiber (0.6mm in core diameter, 0.22 NA), an integrated intravascular ultrasonic-photoacoustic (IVUP) imaging catheter, was developed to provide spatial and functional information on light distribution in a turbid sample. Simultaneously, IVUS imaging was co-registered to IVPA imaging to construct 3D volumetric sample images. In a phantom study, a polyvinyl alcohol (PVA) tissue-mimicking arterial vessel phantom with indocyanine green (ICG) and methylene blue (MB) inclusion was used to demonstrate the feasibility of mapping the biological dyes, which are used in cardiovascular and cancer diagnostics. For the ex vivo study, an excised sample of pig intestine with ICG was utilized to target the biomarkers present in the gastrointestinal tumors or the atherosclerotic plaques with the proposed hybrid technique. The results indicated that IVUP endoscope with the 2.2-mm diameter catheter could be a useful tool for medical imaging. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Deletion of the M2-2 gene from avian metapneumovirus subgroup C impairs virus replication and immunogenicity in Turkeys.

    Science.gov (United States)

    Yu, Qingzhong; Estevez, Carlos N; Roth, Jason P; Hu, Haixia; Zsak, Laszlo

    2011-06-01

    The second matrix (M2) gene of avian metapneumovirus subgroup C (aMPV-C) contains two overlapping open reading frames (ORFs), encoding two putative proteins, M2-1 and M2-2. Both proteins are believed to be involved in viral RNA transcription or replication. To further characterize the function of the M2-2 protein in virus replication, the non-overlapping region of the M2-2 ORF was deleted from an infectious cDNA clone of the aMPV-C strain, and a viable virus was rescued by using reverse genetics technology. The recombinant virus, raMPV-C ΔM2-2, was characterized in vitro and in vivo. In Vero cells, raMPV-C ΔM2-2 replicated slightly less efficiently than the parental virus, 10-fold reduction at 48-h post-infection. The raMPV-C ΔM2-2 virus induced typical cytopathic effects (CPE) that were indistinguishable from those seen with the parental virus infection. In specific-pathogen-free (SPF) turkeys, raMPV-C ΔM2-2 was attenuated and caused no clinical signs of disease. Less than 20% of the inoculated birds shed detectable virus in tracheal tissue during the first 5 days post-infection, and no virus shedding was detected afterward. Forty percent of infected birds produced a weak antibody response at 14 days post-infection. Upon challenge with a virulent aMPV-C strain, more than 80% of the raMPV-C ΔM2-2-inoculated birds showed typical disease signs and virus shedding in tracheal tissue. These results suggest that the M2-2 protein of aMPV-C virus is not essential for virus replication in vitro, but is required for sufficient virus replication to maintain pathogenicity and immunogenicity in the natural host.

  6. EWS/FLI mediates transcriptional repression via NKX2.2 during oncogenic transformation in Ewing's sarcoma.

    Directory of Open Access Journals (Sweden)

    Leah A Owen

    2008-04-01

    Full Text Available EWS/FLI is a master regulator of Ewing's sarcoma formation. Gene expression studies in A673 Ewing's sarcoma cells have demonstrated that EWS/FLI downregulates more genes than it upregulates, suggesting that EWS/FLI, and/or its targets, function as transcriptional repressors. One critical EWS/FLI target, NKX2.2, is a transcription factor that contains both transcriptional activation and transcriptional repression domains, raising the possibility that it mediates portions of the EWS/FLI transcriptional signature. We now report that microarray analysis demonstrated that the transcriptional profile of NKX2.2 consists solely of downregulated genes, and overlaps with the EWS/FLI downregulated signature, suggesting that NKX2.2 mediates oncogenic transformation via transcriptional repression. Structure-function analysis revealed that the DNA binding and repressor domains in NKX2.2 are required for oncogenesis in Ewing's sarcoma cells, while the transcriptional activation domain is completely dispensable. Furthermore, blockade of TLE or HDAC function, two protein families thought to mediate the repressive function of NKX2.2, inhibited the transformed phenotype and reversed the NKX2.2 transcriptional profile in Ewing's sarcoma cells. Whole genome localization studies (ChIP-chip revealed that a significant portion of the NKX2.2-repressed gene expression signature was directly mediated by NKX2.2 binding. These data demonstrate that the transcriptional repressive function of NKX2.2 is necessary, and sufficient, for the oncogenic phenotype of Ewing's sarcoma, and suggest a therapeutic approach to this disease.

  7. Hydrogeological characterisation and modelling of deformation zones and fracture domains, Forsmark modelling stage 2.2

    Energy Technology Data Exchange (ETDEWEB)

    Follin, Sven (SF GeoLogic AB, Taeby (SE)); Leven, Jakob (Swedish Nuclear Fuel and Waste Management Co., Stockholm (SE)); Hartley, Lee; Jackson, Peter; Joyce, Steve; Roberts, David; Swift, Ben (Serco Assurance, Harwell (GB))

    2007-09-15

    The work reported here collates the structural-hydraulic information gathered in 21 cored boreholes and 32 percussion-drilled boreholes belonging to Forsmark site description, modelling stage 2.2. The analyses carried out provide the hydrogeological input descriptions of the bedrock in Forsmark needed by the end users Repository Engineering, Safety Assessment and Environmental Impact Assessment; that is, hydraulic properties of deformation zones and fracture domains. The same information is also needed for constructing 3D groundwater flow models of the Forsmark site and surrounding area. The analyses carried out render the following conceptual model regarding the observed heterogeneity in deformation zone transmissivity: We find the geological division of the deterministically modelled deformation zones into eight categories (sets) useful from a hydrogeological point of view. Seven of the eight categories are steeply dipping, WNW, NW, NNW, NNE, NE, ENE and EW, and on is gently dipping, G. All deformation zones, regardless of orientation (strike and dip), are subjected to a substantial decrease in transmissivity with depth. The data gathered suggest a contrast of c. 20,000 times for the uppermost one kilometre of bedrock, i.e. more than four orders of magnitude. The hydraulic properties below this depth are not investigated. The lateral heterogeneity is also substantial but more irregular in its appearance. For instance, for a given elevation and deformation zone category (orientation), the spatial variability in transmissivity within a particular deformation zone appears to be as large as the variability between all deformation zones. This suggests that the lateral correlation length is shorter than the shortest distance between two adjacent observation points and shorter than the category spacing. The observation that the mean transmissivity of the gently-dipping deformation zones is c. one to two orders of magnitude greater than the mean transmissivities of all

  8. Polyglutamate copolymers as a tissue-engineering platform: polymer scaffold modification through aminolysis of poly(.gamma.-benzyl-L-glutamate-co-2,2,2-.gamma.-trichlorethyl-L-glutamate)

    Czech Academy of Sciences Publication Activity Database

    Svobodová, Jana; Rypáček, František

    2012-01-01

    Roč. 48, č. 1 (2012), s. 183-190 ISSN 0014-3057 R&D Projects: GA AV ČR KJB400500904; GA ČR GAP108/11/1857; GA MŠk 1M0538 Institutional research plan: CEZ:AV0Z40500505 Keywords : poly(.gamma.-benzyl-L-glutamate) * 2,2,2-.gamma.-trichlorethyl-L-glutamate * fibres Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.562, year: 2012

  9. New 2,2'-bipyridine and 1,10-phenanthroline oxohalide complexes of technetium(VII) and -(V)

    International Nuclear Information System (INIS)

    Davison, A.; Jones, A.G.; Abrams, M.J.

    1981-01-01

    Novel complexes of heptavalent technetium with the formulation TcO 3 XL (L = 2,2'-bipyridine, X = Cl, Br; L = 1,10-phenanthroline, X = Cl) have been prepared and characterized by elemental analysis and optical and vbrational spectroscopy. These complexes can be reduced to the pentavalent species, TcOX 3 L, by heating in ethanolic aqueous HX. TcOX 3 (2,2'-bipyridine) (X = Cl, Br) can be synthesized independently from n-Bu 4 NTcOX 4 and 2,2'-bipyridine in ethanolic aqueous HX

  10. Synthesis, spectral and single crystal X-ray structural studies on bis(2,2’-bipyridinesulphidoM(II (M = Cu or Zn and diaqua 2,2’-bipyridine zinc(IIsulphate dihydrate

    Directory of Open Access Journals (Sweden)

    ARUMUGAM MANOHAR

    2010-08-01

    Full Text Available Reaction of bis(diethanoldithiocarbamatocopper(II, [Cu(deadtc2] and bis(di-n-propyldithiocarbamatozinc(II, [Zn(dnpdtc2] complexes with 2,2’-bipyridine (2,2’-bipy (1:1 ratio in ethanol was investigated. Simple mixing of the reactants in 1:1 ratio resulted in five-coordinated [Cu(2,2’--bipy2S]•CH3CH2OSO3H (1 and [Zn(2,2’-bipy2S]•CH3CH2OSO3H·2H2O (2. Refluxing the reactants and cooling the contents result in the formation of [Zn(2,2’-bipy(H2O2]SO4 (3 and [Cu(2,2’-bipy(H2O2]SO4 (4. Complexes 1 and 2 are monomeric with trigonal bipyramidal geometry. A distorted octahedral environment was observed in complexes 3 and 4. The crystal structure of 4 has already been reported in the literature. Crystal structures of 1, 2 and 3 are reported in this paper. The M–S distances in 1 and 2 are 2.318(1 Å and 2.323 Å, respectively. The N–M–S angles are larger than the N–M–N angles due to the steric requirements.

  11. A novel serotonin transporter ligand: (5-Iodo-2-(2-dimethylaminomethylphenoxy)-benzyl alcohol

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Z.-P.; Choi, S.-R.; Hou, Catherine; Mu Mu; Kung, M.-P. E-mail: kunghf@sunmac.spect.upenn.edu; Acton, Paul D.; Kung, Hank F

    2000-02-01

    The serotonin transporters (SERT) are the primary binding sites for selective serotonin reuptake inhibitors, commonly used antidepressants such as fluoxetine, sertraline, and paroxetine. Imaging of SERT with positron emission tomography and single photon emission computed tomography in humans would provide a useful tool for understanding how alterations of this system are related to depressive illnesses and other psychiatric disorders. In this article the synthesis and characterization of [{sup 125}I]ODAM [(5-iodo-2-(2-dimethylaminomethylphenoxy)-benzyl alcohol, 9)] as an imaging agent in the evaluation of central nervous system SERT are reported. A new reaction scheme was developed for the preparation of compound 9, ODAM, and the corresponding tri-n-butyltin derivative 10. Upon reacting 10 with hydrogen peroxide and sodium[{sup 125}I]iodide, the radiolabeled [{sup 125}I]9 was obtained in good yield (94% yield, radiochemical purity >95%). In an initial binding study using cortical membrane homogenates of rat brain, ODAM displayed a good binding affinity with a value of K{sub i}=2.8{+-}0.88 nM. Using LLC-PK{sub 1} cells specifically expressing the individual transporter (i.e. dopamine [DAT], norepinephrine [NET], and SERT, respectively), ODAM showed a strong inhibition on SERT (K{sub i}=0.12{+-}0.02 nM). Inhibition constants for the other two transporters were lower (K{sub i}=3.9{+-}0.7 {mu}M and 20.0 {+-} 1.9 nM for DAT and NET, respectively). Initial biodistribution study in rats after an intravenous (IV) injection of [{sup 125}I]ODAM showed a rapid brain uptake and washout (2.03, 1.49, 0.79, 0.27, and 0.07% dose/organ at 2, 30, 60, 120, and 240 min, respectively). The hypothalamus region where the serotonin neurons are located exhibited a high specific uptake. Ratios of hypothalamus-cerebellum/cerebellum based on percent dose per gram of these two regions showed values of 0.35, 0.86, 0.86, 0.63, and 0.34 at 2, 30, 60, 120, and 240 min, post-IV injection

  12. A novel serotonin transporter ligand: (5-Iodo-2-(2-dimethylaminomethylphenoxy)-benzyl alcohol

    International Nuclear Information System (INIS)

    Zhuang, Z.-P.; Choi, S.-R.; Hou, Catherine; Mu Mu; Kung, M.-P.; Acton, Paul D.; Kung, Hank F.

    2000-01-01

    The serotonin transporters (SERT) are the primary binding sites for selective serotonin reuptake inhibitors, commonly used antidepressants such as fluoxetine, sertraline, and paroxetine. Imaging of SERT with positron emission tomography and single photon emission computed tomography in humans would provide a useful tool for understanding how alterations of this system are related to depressive illnesses and other psychiatric disorders. In this article the synthesis and characterization of [ 125 I]ODAM [(5-iodo-2-(2-dimethylaminomethylphenoxy)-benzyl alcohol, 9)] as an imaging agent in the evaluation of central nervous system SERT are reported. A new reaction scheme was developed for the preparation of compound 9, ODAM, and the corresponding tri-n-butyltin derivative 10. Upon reacting 10 with hydrogen peroxide and sodium[ 125 I]iodide, the radiolabeled [ 125 I]9 was obtained in good yield (94% yield, radiochemical purity >95%). In an initial binding study using cortical membrane homogenates of rat brain, ODAM displayed a good binding affinity with a value of K i =2.8±0.88 nM. Using LLC-PK 1 cells specifically expressing the individual transporter (i.e. dopamine [DAT], norepinephrine [NET], and SERT, respectively), ODAM showed a strong inhibition on SERT (K i =0.12±0.02 nM). Inhibition constants for the other two transporters were lower (K i =3.9±0.7 μM and 20.0 ± 1.9 nM for DAT and NET, respectively). Initial biodistribution study in rats after an intravenous (IV) injection of [ 125 I]ODAM showed a rapid brain uptake and washout (2.03, 1.49, 0.79, 0.27, and 0.07% dose/organ at 2, 30, 60, 120, and 240 min, respectively). The hypothalamus region where the serotonin neurons are located exhibited a high specific uptake. Ratios of hypothalamus-cerebellum/cerebellum based on percent dose per gram of these two regions showed values of 0.35, 0.86, 0.86, 0.63, and 0.34 at 2, 30, 60, 120, and 240 min, post-IV injection, respectively. The specific uptake in hypothalamus

  13. Radiosensitizing potential of gemcitabine (2',2'-difluoro-2'-deoxycytidine) within the cell cycle in vitro

    International Nuclear Information System (INIS)

    Latz, Detlev; Fleckenstein, Katharina; Eble, Michael; Blatter, Johannes; Wannenmacher, Michael; Weber, Klaus J.

    1998-01-01

    Purpose: Gemcitabine (2',2'-difluorodeoxycytidine; dFdCyd) is a new deoxycitidine analog which exhibits substantial activity against solid tumors and radiosensitizing properties in vitro. To examine cell cycle-specific effects of a combined treatment with gemcitabine and radiation, the in vitro clonogenic survival of two different cell lines was measured for cells from log-phase culture, G1 and S-phase cells. Methods and Materials: Chinese hamster (V79) and human colon carcinoma (Widr) cells were exposed to different radiation doses and for different points of time relative to gemcitabine treatment (2 h). Experiments were also carried out with different cell-cycle populations obtained after mitotic selection (V79) or after serum stimulation of plateau-phase cells (Widr). The resulting survival curves were analyzed according to the LQ model, and mean inactivation doses (MID) and the cell cycle-specific enhancement ratios (ER) were calculated from the survival curve parameters. Results: Effectiveness of combined treatment of log-phase cells was greatest when cells were irradiated at the end of the gemcitabine exposure [ER: 1.28 (V79), 1.24 (Widr)]. For later times after the removal of the drug, radiosensitization declined, approaching independent toxicity. From the time course of interactive-type damage decay half-life values of 75 min (V79) and 92 min (Widr) were derived. Gemcitabine did not radiosensitize G1 Widr cells or V79 cells from the G1/S border, but substantial radiosensitization was observed for the S-phase cell preparations [ER: 1.45 (V79-lateS), 1.57 (Widr)]. Conclusions: Treatment of cells with gemcitabine immediately before irradiation eliminates, or at least greatly reduces, the variation in radiosensitivity during the cell cycle that is manifested by radioresistance during S phase. This reversal of S-phase radioresistance could imply that gemcitabine interferes with the potentially lethal damage repair/fixation pathway. Other approaches have been

  14. Bipyridine (2,2′-dipyridyl) potentiates Escherichia coli lethality induced by nitrogen mustard mechlorethamine

    International Nuclear Information System (INIS)

    De Alencar, T.A.M.; Wilmart-Gonçalves, T.C.; Vidal, L.S.; Fortunato, R.S.; Leitão, A.C.; Lage, C.

    2014-01-01

    Highlights: • Reduction of Fe 2+ ensues a respiratory burst to reduce the oxidized iron pool. • Through Harber–Weiss recycling, superoxide electrons can reduce oxidized iron. • Redox imbalance sensitized repair proficient Escherichia coli to mustard lethal crosslinks. • A stronger synergism impacted survival of a superoxide dismutase-deficient strain. • Anti-cancer cocktails added of an iron chelator may impact hypoxia and genotoxicity. - Abstract: Alkylating agents are used in anti-tumor chemotherapy because they bind covalently to DNA and generate adducts that may lead to cell death. Bifunctional (HN2) and monofunctional (HN1) nitrogen are two such agents, and HN2 was the first drug successfully employed in anti-leukemia chemotherapy. Currently, HN2 is used either alone or combined with other drugs to treat Hodgkin's disease. It is well known that several crosslinking agents require metabolic activation via reactive oxygen species (ROS) to exert their lethal effects. The objective of this work was therefore to determine whether the abovementioned mustards would also require metabolic activation to exert lethal action against Escherichia coli. For this purpose, we measured survival following exposure to HN2 in E. coli strains that were deficient in nucleotide excision repair (uvrA NER mutant), base excision repair (xthA nfo nth fpg BER mutant) or superoxide dismutase (sodAB mutant) activity. We also performed the same experiments in cells pretreated with an iron chelator (2,2′-dipyridyl, DIP). The NER and BER mutants were only sensitive to HN2 treatment (survival rates similar to those of the wild-type were achieved with 5-fold lower HN2 doses). However, wild-type and sodAB strains were not sensitive to treatment with HN2. In all tested strains, survival dropped by 2.5-fold following pretreatment with DIP compared to treatment with HN2 alone. Furthermore, DIP treatment increased ROS generation in both wild type and sodAB-deficient strains. Based

  15. Prevalence and features of advanced asbestosis (ILO profusion scores above 2/2). International Labour Office.

    Science.gov (United States)

    Kilburn, K H

    2000-01-01

    In this study, the author addressed the following question: Do workers with advanced asbestosis have a restrictive pulmonary physiology, and, alternately, do those who have restrictive physiological tests have advanced asbestosis? One group was identified by obvious radiographic measurements, and the other group was defined via physiologic measurements. Total lung capacity, vital capacity, and flows were measured in 12,856 men exposed to asbestos, of whom 3,445 had radiographic signs of asbestosis, as defined by the International Labour Office criteria. Radiographically advanced asbestosis-International Labour Office criteria profusion greater than 2/2 was present in 85 (2.5%) of men. An additional 52 men had physiologically restrictive disease. The author, who compared pulmonary flows and volumes of these two groups, used mean percentage predicted, adjusted for height, age, and duration of cigarette smoking. Men with radiographically advanced asbestosis had normal total lung capacity (i.e., 105.5% predicted), reduced forced vital capacities (i.e., 82.7% predicted), air trapping (i.e., residual volume/total lung capacity increased to 54.4%), and reduced flows (i.e., forced expiratory flow [FEF25-75] = 60.6% predicted, forced expiratory volume in 1 s = 78.0% predicted, and forced expiratory volume in 1 s/forced vital capacity = 65.5%). In contrast, men selected from the same exposed population for restrictive disease (i.e., reduced total lung capacity [72.6% predicted] and forced vital capacity [61.5% predicted]) also had airflow obstruction (i.e., forced expiratory volume in 1 s/forced vital capacity of 74.5% predicted) and air trapping (i.e., residual volume/total lung capacity of 46.7%). Only half of these men had asbestosis--and it was of minimal severity. In summary, advanced asbestosis was characterized by airway obstruction and air trapping, both of which reduced vital capacity but not total lung capacity; therefore, it was not a restrictive disease. In

  16. Bipyridine (2,2′-dipyridyl) potentiates Escherichia coli lethality induced by nitrogen mustard mechlorethamine

    Energy Technology Data Exchange (ETDEWEB)

    De Alencar, T.A.M.; Wilmart-Gonçalves, T.C.; Vidal, L.S.; Fortunato, R.S.; Leitão, A.C. [Laboratório de Radiobiologia Molecular (Brazil); Lage, C., E-mail: claudia_lage_dna@yahoo.com.br [Laboratório de Radiações em Biologia (Brazil)

    2014-07-15

    Highlights: • Reduction of Fe{sup 2+} ensues a respiratory burst to reduce the oxidized iron pool. • Through Harber–Weiss recycling, superoxide electrons can reduce oxidized iron. • Redox imbalance sensitized repair proficient Escherichia coli to mustard lethal crosslinks. • A stronger synergism impacted survival of a superoxide dismutase-deficient strain. • Anti-cancer cocktails added of an iron chelator may impact hypoxia and genotoxicity. - Abstract: Alkylating agents are used in anti-tumor chemotherapy because they bind covalently to DNA and generate adducts that may lead to cell death. Bifunctional (HN2) and monofunctional (HN1) nitrogen are two such agents, and HN2 was the first drug successfully employed in anti-leukemia chemotherapy. Currently, HN2 is used either alone or combined with other drugs to treat Hodgkin's disease. It is well known that several crosslinking agents require metabolic activation via reactive oxygen species (ROS) to exert their lethal effects. The objective of this work was therefore to determine whether the abovementioned mustards would also require metabolic activation to exert lethal action against Escherichia coli. For this purpose, we measured survival following exposure to HN2 in E. coli strains that were deficient in nucleotide excision repair (uvrA NER mutant), base excision repair (xthA nfo nth fpg BER mutant) or superoxide dismutase (sodAB mutant) activity. We also performed the same experiments in cells pretreated with an iron chelator (2,2′-dipyridyl, DIP). The NER and BER mutants were only sensitive to HN2 treatment (survival rates similar to those of the wild-type were achieved with 5-fold lower HN2 doses). However, wild-type and sodAB strains were not sensitive to treatment with HN2. In all tested strains, survival dropped by 2.5-fold following pretreatment with DIP compared to treatment with HN2 alone. Furthermore, DIP treatment increased ROS generation in both wild type and sodAB-deficient strains

  17. F-theory and AdS3/CFT2 (2, 0)

    Science.gov (United States)

    Couzens, Christopher; Martelli, Dario; Schäfer-Nameki, Sakura

    2018-06-01

    We continue to develop the program initiated in [1] of studying supersymmetric AdS3 backgrounds of F-theory and their holographic dual 2d superconformal field theories, which are dimensional reductions of theories with varying coupling. Imposing 2d N=(0,2) supersymmetry,wederivethegeneralconditionsonthegeometryforTypeIIB AdS3 solutions with varying axio-dilaton and five-form flux. Locally the compact part of spacetime takes the form of a circle fibration over an eight-fold Y_8^{τ } , which is elliptically fibered over a base \\tilde{M}_6 . We construct two classes of solutions given in terms of a product ansatz \\tilde{M}_6}=Σ × {M}_4 , where Σ is a complex curve and \\tilde{M}_4 is locally a Kähler surface. In the first class \\tilde{M}_4 is globally a Kähler surface and we take the elliptic fibration to vary non-trivially over either of these two factors, where in both cases the metrics on the total space of the elliptic fibrations are not Ricci-flat. In the second class the metric on the total space of the elliptic fibration over either curve or surface are Ricci-flat. This results in solutions of the type AdS3 × K3 × ℳ 5 τ , dual to 2d (0, 2) SCFTs, and AdS3 × S 3/Γ × CY 3, dual to 2d (0, 4) SCFTs, respectively. In all cases we compute the charges for the dual field theories with varying coupling and find agreement with the holographic results. We also show that solutions with enhanced 2d N=(2,2) supersymmetry must have constant axio-dilaton. Allowing the internal geometry to be non-compact leads to the most general class of Type IIB AdS5 solutions with varying axio-dilaton, i.e. F-theoretic solutions, that are dual to 4d N=1 SCFTs.

  18. Effective two-body equations for the four-body problem with exact treatment of (2+2)-subsystem contributions

    International Nuclear Information System (INIS)

    Haberzettl, H.; Sandhas, W.

    1981-01-01

    Noclear reactions: Four-body problem. Effective two-body equations with exact (2+2)-subsystem contributions. Relation to field-theoretical model by Fonseca and Shanley. Three-body propagator with exchange effects. (orig.)

  19. Comparison of Interfacial Electron Transfer Efficiency in [Fe(ctpy)2]2+-TiO2 and [Fe(cCNC)2]2+-TiO2 Assemblies: Importance of Conformational Sampling.

    Science.gov (United States)

    Mukherjee, Sriparna; Liu, Chang; Jakubikova, Elena

    2018-02-22

    Fe(II)-polypyridines have limited applications as chromophores in dye-sensitized solar cells due to the short lifetimes (∼100 fs) of their photoactive metal-to-ligand charge transfer (MLCT) states formed upon photoexcitation. Recently, a 100-fold increase in the MLCT lifetime was observed in a [Fe(CNC) 2 ] 2+ complex (CNC = 2,6-bis(3-methylimidazole-1-ylidine)pyridine) which has strong σ-donating N-heterocyclic carbene ligand in comparison to the weaker field parent [Fe(tpy) 2 ] 2+ complex (tpy = 2,2':6',2″-terpyridine). This study utilizes density functional theory (DFT), time-dependent DFT, and quantum dynamics simulations to investigate the interfacial electron transfer (IET) in [Fe(cCNC) 2 ] 2+ (cCNC = 4'-carboxy-2,6-bis(3-methylimidazole-1-ylidine)pyridine) and [Fe(ctpy) 2 ] 2+ (ctpy = 4'-carboxy-2,2':6',2″-terpyridine) sensitized TiO 2 . Our results suggest that the replacement of tpy by CNC ligand does not significantly speed up the IET kinetics in the [Fe(cCNC) 2 ] 2+ -TiO 2 assembly in comparison to the [Fe(ctpy) 2 ] 2+ -TiO 2 analogue. The high IET efficiency in the [Fe(cCNC) 2 ] 2+ -TiO 2 assemblies is therefore due to longer lifetime of [Fe(cCNC) 2 ] 2+ photoactive 3 MLCT states rather than faster electron injection kinetics. It was also found that the inclusion of conformational sampling in the computational model is important for proper description of the IET processes in these systems, as the models relying on the use of only fully optimized structures may yield misleading results. The simulations presented in this work also illustrate various pitfalls of utilizing properties such as electronic coupling, number of available acceptor states, and driving force, as well as calculations based on Fermi's golden rule framework, to reach conclusions on the IET efficiency in dye-semiconductor systems.

  20. Study of natural radionuclides - "2"2"6Ra, "2"2"8Ra and "2"1"0PB - in marine sediment cores from Southwest Atlantic during the Holocene

    International Nuclear Information System (INIS)

    Costa, Alice Miranda Ribeiro

    2016-01-01

    Natural radionuclides from "2"3"8U and "2"3"2Th series have been successfully applied as tracers of environmental process and climate changes. The "2"1"0Pb (half-life of 22.2 years) is used in the geochronological dating technique of sediment cores of the last 100-150 years, and its respective sedimentation rate determination. The study of "2"2"6Ra and "2"2"8Ra concentrations (half-lives of 1,600 years and 5.75 years, respectively) helps calculate the activity of "2"1"0Pb in excess in the environment, besides being important tracers of marine processes, as ground water discharge. In this work it was determined the activity concentrations of "2"2"6Ra, "2"2"8Ra and "2"1"0Pb in four short marine cores collected since the continental platform to upper slope of Southwest Atlantic Ocean. Taking into account the results obtained, sedimentation rates and the ages of each sediment layer were determined using the geochronological dating method with "2"1"0Pb. All sediment samples were total acid digested in microwave. The sequential radiochemical separation of "2"2"6Ra, "2"2"8Ra, "2"1"0Pb were performed, obtaining in the end the precipitation of Ba(Ra)SO_4 and PbCrO_4. The gross α measurements of "2"2"6Ra and gross β measurements of "2"2"8Ra and "2"1"0Pb from the precipitates were carried out in a gas-flow low background proportional counter. Concerning all cores analyzed, the activities concentrations of "2"2"6Ra ranged from 14 Bq.kg"-"1 to 154 Bq.kg"-"1; the concentrations of "2"2"8Ra ranged from 17 Bq.kg"-"1 to 45 Bq.kg"-"1; and the concentrations of "2"1"0Pb ranged from 20 Bq.kg"-"1 to 2,073 Bq.kg"-"1. High values of "2"1"0Pb were observed on the top of all the cores studied, mainly related to atmospheric deposition. The results obtained in this work were of the same order of magnitude of those reported in the literature available on non contaminated areas of Southeast Brazilian Coast. Sedimentation rates fall with the increase of water column depth and ranged from 0

  1. Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong, E-mail: sunyq@fzu.edu.cn; Chen, Yi-Ping

    2017-02-15

    Two series of lanthanide-carboxylates, [Ln(2,2′-dtba)(2,2′-Hdtba)(EtOH)]{sub n} (I:Ln=Eu(1a), Dy(1b)) and [Ln(2,2′-dtba)(2,2′-Hdtba)(4,4′-bpy){sub 0.5}]{sub n} (II:Ln=Eu(2a), Dy(2b), Tb(2c) 2,2′-H{sub 2}dtba=2,2′-dithiodibenzoic acid, 4,4′-bpy=4,4′-bipyridine) have been synthesized under hydrothermal conditions. Interestingly, the H{sub 2}dtba organic ligand was generated by in situ S–S reaction of 2-mercaptobenzoic acid. Compounds I and II possess different 2D layered structures based on similar 1D [Ln(2,2′-dtba)]{sup +} chains. Photoluminescence studies reveal that compounds I and II exhibit strong lanthanide characteristic emission bands. Remarkably, Compounds 1b and 2a both exhibit good photocatalytic activity for degradation of Rhodamine-B (Rh-B) under the simulated sunlight irradiation. - Graphical abstract: Two series of lanthanide-carboxylates have been in situ synthesized under hydrothermal conditions. The lanthanide-carboxylates exhibit strong lanthanide characteristic emission bands and good photocatalytic activity for degradation of Rhodamine-B. - Highlights: • 2D layered lanthanide-carboxylates with 2,2′-dithiodibenzoic acid. • In situ S–S reaction of 2-mercaptobenzoic acid under hydrothermal condition. • The Emission spectra of I and II exhibit the characteristic transition of lanthanide ions. • Compounds 1b and 2a exhibit good photocatalytic activity for degradation of Rhodamine-B.

  2. System of Sr(NO2)2-Sr(OH)2-H2O at 25 deg C

    International Nuclear Information System (INIS)

    Popova, T.B.; Berdyukova, V.A.; Khutsistova, F.M.

    1990-01-01

    Sr(NO 2 ) 2 -Sr(OH) 2 -H 2 O system was investigated by the methods of solubility, density, viscosity, electric conductivity and refractometry. It was established that its compoments form the compound 4Sr(NO 2 ) 2 xSr(OH) 2 x8H 2 O. The compound was separated from solution; its density, decomposition temperature were determined; IR spectra and X-ray patterns of prepared and initial compounds were obtained

  3. Temporal variations and spatial distribution of ambient PM2.2 and PM1 concentrations in Dhaka, Bangladesh

    International Nuclear Information System (INIS)

    Begum, Bilkis A.; Biswas, Swapan K.; Hopke, Philip K.

    2006-01-01

    Concentrations and characteristics of airborne particulate matter (PM 1 , PM 2.2 and BC) on air quality have been studied at two air quality-monitoring stations in Dhaka, the capital of Bangladesh. One site is at the Farm Gate area, a hot spot with very high pollutant concentrations because of its proximity to major roadways. The other site is at a semi-residential area located at the Atomic Energy Centre, Dhaka Campus, (AECD) with relatively less traffic. The samples were collected using a 'Gent' stacked filter unit in two fractions of 0-2.2 μm and 2.2-10 μm sizes. Samples of fine (PM 2.2 ) and coarse (PM 2.2-1 ) airborne particulate matter fractions collected from 2000 to 2003 were studied. It has been observed that fine particulate matter has a decreasing trend, from prior year measurements, because of Government policy interventions like phase-wise plans to take two-stroke three-wheelers off the roads in Dhaka and finally banned from January 1, 2003. Other policy interventions were banning of old buses and trucks to ply on Dhaka city promotion of the using compressed natural gas (CNG), introducing air pollution control devices in vehicles, etc. It was found that both local (mostly from vehicular emissions) and possibly some regional emission sources are responsible for high PM 2.2 and BC concentrations in Dhaka. PM 2.2 , PM 2.2-1 and black carbon concentration levels depend on the season, wind direction and wind speed. Transport related emissions are the major source of BC and long-range transportation from fossil fuel related sources and biomass burning could be another substantial source of BC

  4. Temporal variations and spatial distribution of ambient PM2.2 and PM10 concentrations in Dhaka, Bangladesh.

    Science.gov (United States)

    Begum, Bilkis A; Biswas, Swapan K; Hopke, Philip K

    2006-04-01

    Concentrations and characteristics of airborne particulate matter (PM(10), PM(2.2) and BC) on air quality have been studied at two air quality-monitoring stations in Dhaka, the capital of Bangladesh. One site is at the Farm Gate area, a hot spot with very high pollutant concentrations because of its proximity to major roadways. The other site is at a semi-residential area located at the Atomic Energy Centre, Dhaka Campus, (AECD) with relatively less traffic. The samples were collected using a 'Gent' stacked filter unit in two fractions of 0-2.2 mum and 2.2-10 mum sizes. Samples of fine (PM(2.2)) and coarse (PM(2.2-10)) airborne particulate matter fractions collected from 2000 to 2003 were studied. It has been observed that fine particulate matter has a decreasing trend, from prior year measurements, because of Government policy interventions like phase-wise plans to take two-stroke three-wheelers off the roads in Dhaka and finally banned from January 1, 2003. Other policy interventions were banning of old buses and trucks to ply on Dhaka city promotion of the using compressed natural gas (CNG), introducing air pollution control devices in vehicles, etc. It was found that both local (mostly from vehicular emissions) and possibly some regional emission sources are responsible for high PM(2.2) and BC concentrations in Dhaka. PM(2.2), PM(2.2-10) and black carbon concentration levels depend on the season, wind direction and wind speed. Transport related emissions are the major source of BC and long-range transportation from fossil fuel related sources and biomass burning could be another substantial source of BC.

  5. Ontogenetic distribution of the transcription factor Nkx2.2 in the developing forebrain of Xenopus laevis

    Directory of Open Access Journals (Sweden)

    Laura eDominguez

    2011-03-01

    Full Text Available The expression of the Nkx2.2 gene is involved in the organization of the alar-basal boundary in the forebrain of vertebrates. Its expression in different diencephalic and telencephalic regions, helped to define distinct progenitor domains in mouse and chick. Here we investigated the pattern of Nkx2.2 protein distribution throughout the development of the forebrain of the anuran amphibian, Xenopus laevis. We used immunohistochemical and in situ hybridization techniques for its detection in combination with other essential territorial markers in the forebrain. No expression was observed in the telencephalon. In the alar hypothalamus, Nkx2.2 positive cells were scattered in the suprachiasmatic territory, but also in the supraoptoparaventricular area, as defined by the expression of the transcription factor Otp and the lack of xDll4. In the basal hypothalamus Nkx2.2 expressing cells were localized in the tuberal region, with the exception of the arcuate nucleus, rich in Otp expressing cells. In the diencephalon it was expressed in all three prosomeres (P1-P3 and not in the zona limitans intrathalamica. The presence of Nkx2.2 expressing cells in P3 was restricted to the alar portion, as well as in prosomere P2, whereas in P1 the Nkx2.2 expressing cells were located in the basal plate and identified the alar/basal boundary. These results showed that Nkx2.2 and Sonic hedgehog are expressed in parallel adjacent stripes along the anterior-posterior axis. The results of this study showed a conserved distribution pattern of Nkx2.2 among vertebrates, crucial to recognize subdivisions that are otherwise indistinct, and supported the relevance of this transcription factor in the organization of the forebrain, particularly in the delineation of the alar/basal boundary of the forebrain.

  6. Finite-dimensional representations of the quantum superalgebra Uq[gl(2/2)]: 1. Typical representations at generic q

    International Nuclear Information System (INIS)

    Nguyen Anh Ky.

    1993-05-01

    In the present paper we construct all typical finite-dimensional representations of the quantum Lie superalgebra U q [gl(2/2)] at generic deformation parameter q. As in the non-deformed case the finite-dimensional U q [gl(2/2)]-module W q obtained is irreducible and can be decomposed into finite-dimensional irreducible U q [l(2)+gl(2)]submodules V i q . (authohor). 32 refs

  7. On the reduction of generalized polylogarithms to Li_n and Li_2_,_2 and on the evaluation thereof

    International Nuclear Information System (INIS)

    Frellesvig, Hjalte; Tommasini, Damiano; Wever, Christopher

    2016-01-01

    We give expressions for all generalized polylogarithms up to weight four in terms of the functions log, Li_n, and Li_2_,_2, valid for arbitrary complex variables. Furthermore we provide algorithms for manipulation and numerical evaluation of Li_n and Li_2_,_2, and add codes in Mathematica and C++ implementing the results. With these results we calculate a number of previously unknown integrals, which we add in appendix C.

  8. A novel CaV2.2 channel inhibition by piracetam in peripheral and central neurons.

    Science.gov (United States)

    Bravo-Martínez, Jorge; Arenas, Isabel; Vivas, Oscar; Rebolledo-Antúnez, Santiago; Vázquez-García, Mario; Larrazolo, Arturo; García, David E

    2012-10-01

    No mechanistic actions for piracetam have been documented to support its nootropic effects. Voltage-gated calcium channels have been proposed as a promising pharmacological target of nootropic drugs. In this study, we investigated the effect of piracetam on Ca(V)2.2 channels in peripheral neurons, using patch-clamp recordings from cultured superior cervical ganglion neurons. In addition, we tested if Ca(V)2.2 channel inhibition could be related with the effects of piracetam on central neurons. We found that piracetam inhibited native Ca(V)2.2 channels in superior cervical ganglion neurons in a dose-dependent manner, with an IC(50) of 3.4 μmol/L and a Hill coefficient of 1.1. GDPβS dialysis did not prevent piracetam-induced inhibition of Ca(V)2.2 channels and G-protein-coupled receptor activation by noradrenaline did not occlude the piracetam effect. Piracetam altered the biophysical characteristics of Ca(V)2.2 channel such as facilitation ratio. In hippocampal slices, piracetam and ω-conotoxin GVIA diminished the frequency of excitatory postsynaptic potentials and action potentials. Our results provide evidence of piracetam's actions on Ca(V)2.2 channels in peripheral neurons, which might explain some of its nootropic effects in central neurons.

  9. Synthesis and characterization of a uranium(III) complex containing a redox-active 2,2'-bipyridine ligand.

    Science.gov (United States)

    Kraft, Steven J; Fanwick, Phillip E; Bart, Suzanne C

    2010-02-01

    Hydrotris(3,5-dimethylpyrazolyl)borate uranium(III) diiodide derivatives have been prepared as an entry into low-valent uranium chemistry with these ligands. The bis(tetrahydrofuran) adduct, Tp*UI(2)(THF)(2) (1) (Tp* = hydrotris(3,5-dimethylpyrazolyl)borate), was synthesized by addition of sodium hydrotris(3,5-dimethylpyrazolyl)borate (NaTp*) to an equivalent of UI(3)(THF)(4). Addition of 2,2'-bipyridine (2,2'-bpy) to 1 displaced the THF molecules producing Tp*UI(2)(2,2'-bpy) (2). Both derivatives were characterized by (1)H NMR and IR spectroscopies, magnetic measurements, and X-ray crystallography. Reduction of both species was attempted with two equivalents of potassium graphite. The reduction of 1 did not result in a clean product, but rather decomposition and ligand redistribution. However, compound 2 was reduced to form Tp*(2)U(2,2'-bpy), 3, which is composed of a uranium(III) ion with a radical monoanionic bipyridine ligand. This was confirmed by X-ray crystallography, which revealed distortions in the bond lengths of the bipyridine consistent with reduction. Further support was obtained by (1)H NMR spectroscopy, which showed resonances shifted far upfield, consistent with radical character on the 2,2'-bipyridine ligand. Future studies will explore the reactivity of this compound as well as the consequences for redox-activity in the bipyridine ligand.

  10. Study of "2"2"3Ra uptake mechanism by Fe_3O_4 nanoparticles: towards new prospective theranostic SPIONs

    International Nuclear Information System (INIS)

    Mokhodoeva, Olga; Vlk, Martin; Málková, Eva; Kukleva, Ekaterina; Mičolová, Petra; Štamberg, Karel; Šlouf, Miroslav; Dzhenloda, Rustam; Kozempel, Ján

    2016-01-01

    The use of superparamagnetic iron oxide nanoparticles (SPIONs) and radiolabelled nanoparticles (NPs) has grown considerably over the recent years, and the SPIONs labelled with medicinal radionuclides offer new opportunities in multimodal diagnostics and in the drug-delivery systems for targeted alpha-particle therapy (TAT) driven by magnetic field gradient or by biologically active moieties bound on NPs shell. However, the mechanisms of NPs radiolabelling are not studied substantially and still remain unclear, even though the way of label attachment directly implies the stability of the label-nanoparticle construct. Since the "2"2"3Ra was the first clinically approved alpha-emitter, it is a promising nuclide for further development of its targeted carriers. We report here on the study of "2"2"3Ra uptake by the Fe_3O_4SPIONs, together with an attempt to propose the "2"2"3Ra uptake mechanism by the Fe_3O_4NPs in the presence of a phosphate buffer a typical formulation medium, under the pseudo-equilibrium conditions. Further, the in vitro stability tests of the prepared ["2"2"3Ra]Fe_3O_4NPs were performed to estimate the "2"2"3Ra label stability. The potential use of "2"2"3Ra-labelled SPIONs in theranostic applications is also discussed.Graphical abstract

  11. Rock Mechanics Forsmark. Site descriptive modelling Forsmark stage 2.2

    Energy Technology Data Exchange (ETDEWEB)

    Glamheden, Rune; Fredriksson, Anders (Golder Associates AB (SE)); Roeshoff, Kennert; Karlsson, Johan (Berg Bygg Konsult AB (SE)); Hakami, Hossein (Itasca Geomekanik AB (SE)); Christiansson, Rolf (Swedish Nuclear Fuel and Waste Management Co., Stockholm (SE))

    2007-12-15

    The Swedish Nuclear Fuel and Waste Management Company (SKB) is undertaking site characterisation at two different locations, Forsmark and Laxemar/Simpevarp, with the objective of siting a geological repository for spent nuclear fuel. The characterisation of a site is an integrated work carried out by several disciplines including geology, rock mechanics, thermal properties, hydrogeology, hydrogeochemistry and surface systems. This report presents the rock mechanics model of the Forsmark site up to stage 2.2. The scope of work has included compilation and analysis of primary data of intact rock and fractures, estimation of the rock mass mechanical properties and estimation of the in situ state of stress at the Forsmark site. The laboratory results on intact rock and fractures in the target volume demonstrate a good quality rock mass that is strong, stiff and relatively homogeneous. The homogeneity is also supported by the lithological and the hydrogeological models. The properties of the rock mass have been initially estimated by two separate modelling approaches, one empirical and one theoretical. An overall final estimate of the rock mass properties were achieved by integrating the results from the two models via a process termed 'Harmonization'. Both the tensile tests, carried out perpendicular and parallel to the foliation, and the theoretical analyses of the rock mass properties in directions parallel and perpendicular to the major principal stress, result in parameter values almost independent of direction. This indicates that the rock mass in the target volume is isotropic. The rock mass quality in the target volume appears to be of high and uniform quality. Those portions with reduced rock mass quality that do exist are mainly related to sections with increased fracture frequency. Such sections are associated with deformation zones according to the geological description. The results of adjacent rock domains and fracture domains of the target

  12. Fragrance material review on 1-[5(or 6)-methyl-7(or 8)-1-(methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethan-1-one.

    Science.gov (United States)

    Scognamiglio, J; Letizia, C S; Api, A M

    2013-12-01

    A toxicologic and dermatologic review of 1-[5(Or 6)-Methyl-7(or 8)-1-(methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethan-1-one when used as a fragrance ingredient is presented. 1-[5(Or 6)-Methyl-7(or 8)-1-(methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethan-1-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-[5(Or 6)-Methyl-7(or 8)-1-(methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethan-1-one were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, phototoxicity, photoallergy, and genotoxicity, data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al., Belsito, D., Bickers, D., Bruze, M., Calow, P., Dagli, M., Fryer, A.D., Greim, H., Miyachi, Y., Saurat, J.H., Sipes, I.G., 2013. A Toxicologic and Dermatologic Assessment of Alkyl Cyclic Ketones When Used as Fragrance Ingredients. (submitted for publication)). for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Assessment of "2"2"6Ra, "2"2"8Ra and "2"1"0Pb concentration in mineral waters from Parque das Águas de Lambari and Contendas, MG and evaluation of the committed effective doses

    International Nuclear Information System (INIS)

    Wakasugi, Denise S.M.; Damatto, Sandra R.

    2017-01-01

    The exploration of several Brazilian hydromineral resorts, that have springs of radioactive mineral water consumed by the population support the relevance of the present work. This study is being developed in the IPEN with the aid of the responsible for Parque das Águas de Lambari and Contendas. Thereby, this work aims to determine the activity concentrations of "2"2"6Ra, "2"2"8Ra and "2"1"0Pb to verify the influence of seasonality in these water parks springs. Thereunto, gross alpha and beta measurements were used after radiochemical separation for these radionuclides determination and measurement in a low background proportional detector. The results showed that Parque das Águas de Lambari presented highest concentration values when compared with Contendas. In Parque das Águas de Contendas , the highest concentration values were 77 ± 5 mBq/L and 129 ± 5 mBq/L for "2"2"6Ra for Gasosa II springs and "2"2"8Ra for Gasosa I spring, respectively, which correspond to the spring season; for "2"1"0Pb, 27 ± 2 mBq/L for Magnesiana spring in the same season. In Parque das Águas de Lambari, the highest concentration values for "2"2"6Ra was 177 ± 2 mBq/L and for "2"1"0Pb, 36 ± 2 mBq/L, both in the Magnesiana spring, for the summer season and 135 ± 5 mBq/L for "2"2"8Ra, in Magnesiana spring, for the spring season. The data were analyzed through descriptive and correlational statistical techniques. Therefore, it was possible to evaluate the committed effective doses due to the consumption of these waters and to assess the radiological risk for the radionuclides studied. (author)

  14. Synthesis, Structural Characterization, Antimicrobial Activity, and In Vitro Biocompatibility of New Unsaturated Carboxylate Complexes with 2,2'-Bipyridine.

    Science.gov (United States)

    Vasile Scăețeanu, Gina; Chifiriuc, Mariana Carmen; Bleotu, Coralia; Kamerzan, Crina; Măruţescu, Luminiţa; Daniliuc, Constantin G; Maxim, Cătălin; Calu, Larisa; Olar, Rodica; Badea, Mihaela

    2018-01-12

    The synthesis, structural characterization, cytotoxicity, and antimicrobial properties of four new complexes formed by employing acrylate anion and 2,2'-bipyridine are reported herein. X-ray crystallography revealed the trinuclear nature of [Mn₃(2,2'-bipy)₂(C₃H₃O₂)₆] ( 1 ), meanwhile complexes with general formula [M(2,2'-bipy)(C₃H₃O₂)₂(H₂O) x ]∙ y H₂O (( 2 ) M: Ni, x = 1, y = 0; ( 3 ) M: Cu, x = 1, y = 0; ( 4 ) M: Zn, x = 0, y = 1; 2,2'-bipy: 2,2'-bipyridine; C₃H₃O₂: acrylate anion) were shown to be mononuclear. The lowest minimum inhibitory concentration (MIC) of 128 μg mL -1 was recorded for all four tested complexes against Candida albicans , for complex ( 3 ) against Escherichia coli , and for complex ( 4 ) against Staphylocococcus aureus . Compounds ( 3 ) and ( 4 ) were also potent efflux pumps activity inhibitors (EPI), proving their potential for use in synergistic combinations with antibiotics. Complexes ( 1 )-( 4 ) revealed that they were not cytotoxic to HCT-8 cells. They also proved to interfere with the cellular cycle of tumour HCT-8 cells by increasing the number of cells found in the S and G2/M phases. Taken together, these results demonstrate the potential of zinc and copper complexes for use in the development of novel antimicrobial and anti-proliferative agents.

  15. Avian metapneumovirus M2:2 protein inhibits replication in Vero cells: modification facilitates live vaccine development.

    Science.gov (United States)

    Clubbe, Jayne; Naylor, Clive J

    2011-11-28

    Throughout the world, avian metapneumovirus (AMPV) infection of subtype A is principally controlled by two live vaccines both derived from UK field strain #8544. Improvements of those vaccines by use of reverse genetics technology was found to be hampered by the inability of #8544 to replicate in the commonly exploited Vero cell based reverse genetics system. A systematic reverse genetics based genome modification of a DNA copy of #8544, employing sequence data from a Vero grown, #8544 derived, live vaccine; was used to determine mutations required to facilitate virus recovery and replication in Vero cells. This identified a single coding substitution in the M2:2 reading frame as responsible. Furthermore, ablation of M2:2 was found to elicit the same outcome. M2:2 sequence analysis of seven AMPVs found Vero cell adaption to be associated with non similar amino acid changes in M2:2. The study shows that M2:2 modification of field virus #8544 will enable research leading to improved vaccines. This may have more general application to other AMPV field strains. Copyright © 2011 Elsevier Ltd. All rights reserved.

  16. Preparation of deuteriated adipic [2H2]-, [2H4]-, [2H6]-, and [2H8]-acids by use of Kolbe electrolysis as a key reaction

    International Nuclear Information System (INIS)

    Tashiro, Masahi; Tsuzuki, Hirohisa; Mataka, Shuntaro; Goto, Hideyuki; Ogasahara, Shoji

    1990-01-01

    Using Kolbe electrolysis of methyl hydrogen [ 2 H 0 ]-, [ 2 H 2 ]-, and [ 2 H 4 ]-succinates as a key reaction, adipic [2,2- 2 H 2 ]-, [2,3- 2 H 2 ]-, [2,2,3,3- 2 H 4 ]-, [2,3,4,5- 2 H 4 ]-, [2,3,5,5- 2 H 4 ]-, [2,2,3,3,5,5- 2 H 6 ]-, and [2,2,3,3,4,4,5,5- 2 H 8 ]-acids were prepared in high deuterium contents. (author)

  17. Adsorption of UO2+2 by polyethylene adsorbents with amidoxime, carboxyl, and amidoxime/carboxyl group

    International Nuclear Information System (INIS)

    Choi, Seong-Ho; Nho, Young Chang

    2000-01-01

    The polyethylene (PE) adsorbents were prepared by a radiation-induced grafting of acrylonitrile (AN), acrylic acid (AA), and the mixture of AN/AA onto PE film, and by subsequent amidoximation of cyano groups of poly-AN graft chains. With an increase of AA composition in AN/AA monomer mixture, the water uptake of the grafted polyethylene film increased. In AN/AA mixture, the maximum adsorption of UO 2+ 2 was observed in the adsorbent with a ratio of AN/AA (50/50, mol%) in copolymer. The amidoxime, carboxyl, and amidoxime/carboxyl groups onto PE acted as a chelating site for the selected UO 2+ 2 . The complex structure of polyethylene with three functional groups and UO 2+ 2 was confirmed by Fourier Transform Infrared (FTIR) spectroscopy. (author)

  18. Observation of the hadronic transitions χb1,2(2P)→ωΥ(1S)

    International Nuclear Information System (INIS)

    Cronin-Hennessy, D.; Park, C.S.; Park, W.; Thayer, J.B.; Thorndike, E.H.; Coan, T.E.; Gao, Y.S.; Liu, F.; Stroynowski, R.; Artuso, M.; Boulahouache, C.; Blusk, S.; Dambasuren, E.; Dorjkhaidav, O.; Mountain, R.; Muramatsu, H.; Nandakumar, R.; Skwarnicki, T.; Stone, S.; Wang, J.C.

    2004-01-01

    The CLEO Collaboration has made the first observations of hadronic transitions among bottomonium (bb-bar) states other than the dipion transitions among Υ(nS) states. In our study of Υ(3S) decays, we find a significant signal for Υ(3S)→γωΥ(1S) that is consistent with radiative decays Υ(3S)→γχ b1,2 (2P), followed by χ b1,2 (2P)→ωΥ(1S). The branching ratios we obtain are B[χ b1 (2P)→ωΥ(1S)]=(1.63 -0.31-0.15 +0.35+0.16 )% and B[χ b2 (2P)→ωΥ(1S)]=(1.10 -0.28-0.10 +0.32+0.11 )%, in which the first error is statistical and the second is systematic.

  19. 40 CFR 721.1630 - 1,2-Ethanediol bis(4-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate...

    Science.gov (United States)

    2010-07-01

    ...-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate); ethanol, 2,2â²-[oxybis(2,1-ethanediyl oxy)]bis-, bis(4-methylbenzenesulfonate); ethanol, 2,2â²-[oxybis (2,1-ethane diyloxy)] bis-, bis(4...); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate); ethanol, 2,2′-[oxybis(2,1-ethanediyl oxy)]bis-, bis...

  20. Presence of DQ2.2 Associated with DQ2.5 Increases the Risk for Celiac Disease

    Science.gov (United States)

    Almeida, Lucas Malta; Gandolfi, Lenora; Pratesi, Riccardo; Uenishi, Rosa Harumi; de Almeida, Fernanda Coutinho; Selleski, Nicole

    2016-01-01

    Background. Celiac disease (CD) is a genetically determined immune-mediated disorder in which gluten immunogenic peptides are presented to CD4 T cells by HLA-DQ2.5, DQ8, DQ2.2, and their combinations. Our aim is to establish a risk gradient for celiac disease based on HLA-DQ profile in a brazilian representative population and the relevance of DQ2.2 in celiac disease development. Materials and Methods. 237 celiac patients and 237 controls (both groups with 164 females and 73 males) were included. All samples were tested for the presence of predisposing HLA-DQ alleles using the PCR-SSP method. Results were considered significant when p Disease risk was expressed as 1 : N for each HLA-DQ category described at this study. Results. DQ2.5 and/or DQ8 were detected in 224 celiac patients (94.5%) and 84 controls (35.4%). Eight celiac patients (3.4%) and 38 controls (16%) disclosed only DQ2.2. Even though DQ2.2 (β2/β2 or β2/x) showed a low CD risk of 1 : 251 and 1 : 550, respectively, the genotype DQ2.5/DQ2.2 (β2/β2) showed high CD risk of 1 : 10 (p disease risk gradient ranged from 1 : 3014 to 1 : 7. Conclusion. Our study allowed the determination of a risk gradient for celiac disease development in at-risk population, showing that DQ2.2 variant was relevant when associated with DQ2.5. PMID:28042478

  1. Magnetic structure and phase transitions of Co1-xMnxCl2.2H2O and Co1-xMnxCl2.2D2O

    International Nuclear Information System (INIS)

    Brueckel, T.; Lippert, M.; Kubo, H.; Zenmyo, K.; Mayer, H.M.; Pfeiffer, F.; Hohlwein, D.; Krimmel, A.

    1995-01-01

    We present neutron diffraction results of the magnetic structure, phase transitions and magnetic short-range order of Co 1-x Mn x Cl 2 .2H 2 O/D 2 O single crystals. For samples in an intermediate composition range, where a spin glass phase exists, we found the coexistence of spin glass and long-range antiferromagnetic order. ((orig.))

  2. Crystal structures of nitrato-(2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) aquacopper and chloro-(2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) copper

    Energy Technology Data Exchange (ETDEWEB)

    Chumakov, Yu. M. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Paholnitcaia, A. Yu. [State University of Moldova (Moldova, Republic of); Petrenko, P. A. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Tsapkov, V. I., E-mail: vtsapkov@gmail.com [State University of Moldova (Moldova, Republic of); Poirier, D. [Centre Hospitalier Universitaire de Quebec (Canada); Gulea, A. P. [State University of Moldova (Moldova, Republic of)

    2015-01-15

    Two crystal modifications of nitrato-(2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) aquacopper (I and II) and two modifications of chloro-(2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) copper (III and IV) have been synthesized and studied by X-ray diffraction. In structures I and II, the copper atoms coordinate a monodeprotonated molecule of the organic ligand, nitrate ions, and a water molecule. In crystals of I, the complexes are monomeric, whereas complexes II are linked via nitrate ions to form polymeric chains. In both structures the coordination polyhedron of the copper atom can be described as a distorted tetragonal bipyramid—(4 + 1 + 1) in I and (4 + 2) in II. These coordination polyherdra have different compositions. In structures III and IV, the metal atoms coordinate a monodeprotonated (2-[2-phenyl(pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazole molecule and chloride ions. In III the complex-forming ion has square-planar coordination geometry, whereas structure IV consists of centrosymmetric dimers with two bridging chlorine atoms. It was found that nitrato-(2-[2-(1-pyridine-2-ylethylidene)hydrazine]-1,3-benzothiazolo) aquacopper possesses antitumor activity.

  3. Bis(2,2′-bipyrid­yl)bromidocopper(II) bromide bromo­acetic acid hemihydrate

    OpenAIRE

    Liu, Yaru; Sun, Junshan; Wang, Xinli

    2009-01-01

    In the title compound, [CuBr(C10H8N2)2]Br·BrCH2COOH·0.5H2O, the CuII ion is coordinated by four N atoms [Cu—N = 1.985 (6)–2.125 (7) Å] from two 2,2′-bipyridine ligand molecules and a bromide anion [Cu—Br = 2.471 (2) Å] in a distorted trigonal-bipyramidal geometry. Short centroid–centroid distances [3.762 (5) and 3.867 (5) ...

  4. Task 4.2.2: Task report prepared for the second CRP meeting 5-8 October 1993, Budapest, Hungary

    International Nuclear Information System (INIS)

    Fujita, Yushi

    1993-01-01

    This is a preliminary report on Task 4.2.2. of IAEA Coordinated Research Program on Operator Support Systems in Nuclear Power Plants. The purposes of Task 4.2.2 are defined as follows: evaluate functions assigned to operators, maintenance personnel, or plant management staff; identify where operator support systems (OSS) can support those functions in a productive way. In this report, discussion is made of (i) a framework for evaluating functions assigned to operators, maintenance personnel, or plant management staff, and (ii) where OSS can be most beneficial to support these functions. In addition, recommendations for future efforts are made

  5. Identification of α-Chloro-2,2',4,4',6,6'-Hexanitrobibenzyl as an Impurity in Hexanitrostilbene

    Science.gov (United States)

    Bellamy, A. J.

    2010-01-01

    The final intermediate in the Shipp synthesis of 2,2‧,4,4‧,6,6‧-hexanitrostilbene (HNS) from TNT, α-chloro-2,2‧,4,4‧,6,6‧-hexanitrobibenzyl, has been extracted and characterized by nuclear magnetic resonance (NMR) spectroscopy, chlorine elemental analysis, and high-performance liquid chromatography (HPLC). It has also been shown that digestion in NMP of HNS containing α-chlorohexanitrobibenzyl generates another chlorine-containing by-product, 2-chloro-2‧,4,4‧,6,6‧-pentanitrostilbene. This too has been characterized by NMR spectroscopy, chlorine elemental analysis, and HPLC.

  6. Difference in Reactivity during Alkylation of 2-(2-Hydroxyaryl)-1,3-indanedione and N-(2-Hydroxyphenyl)phthalimide

    Energy Technology Data Exchange (ETDEWEB)

    Song, Hyun Nam; Kim, Hyoung Shik; Kim, Jae Nyoung [Chonnam National University, Gwangju (Korea, Republic of)

    1999-06-15

    Friedel-Crafts type reactions of ninhydrin (1,2,3-indantrione) have been examined by us and other groups. Besides the common arene compounds phenolic compounds could be used to prepare the corresponding 2-(2-hydroxyaryl)-2- hydroxy-1,3-indanedione derivatives such as 1. Recently, we have reported on the unusual formation of benzo[b]indeno[2,1-d]furanone ring system 3 as well as the normally expected 2 during alkylation of 2-(2-hydroxyaryl)- 2-hydroxy-1,3-indanedione derivative 1 as shown in Scheme 1

  7. Upgrading of the Ukrainian NPPs and the ''2+2'' approach applied for the licensing of the major modifications

    International Nuclear Information System (INIS)

    Gorbatchev, A.; Goetsch, D.; Redko, V.; Madonna, A.

    2003-01-01

    Many of the planned upgrading measures of Ukrainian VVER plants and of the unique Armenian power plant (Medzanor) are financed by the European Union (EU) through the TACIS program. The ''2+2'' approach implies a deep collaboration between Ukrainian or Armenian regulatory authorities, local operating organizations and EU organizations. This approach allows: - a smooth adaptation of western technologies to VVERs, - a comprehensive checking of Ukrainian, Armenian and western regulatory requirements, and - the transfer of know-how to the Ukrainian and Armenian organizations. This report presents the principles applied for ''2+2'' approach as well as a summary of the main recommendations given in the framework of the licensing process

  8. Covariant spinor representation of iosp(d,2/2) and quantization of the spinning relativistic particle

    Energy Technology Data Exchange (ETDEWEB)

    Jarvis, P.D.; Corney, S.P.; Tsohantjis, I. [School of Mathematics and Physics, University of Tasmania, Hobart Tas (Australia)

    1999-12-03

    A covariant spinor representation of iosp(d,2/2) is constructed for the quantization of the spinning relativistic particle. It is found that, with appropriately defined wavefunctions, this representation can be identified with the state space arising from the canonical extended BFV-BRST quantization of the spinning particle with admissible gauge fixing conditions after a contraction procedure. For this model, the cohomological determination of physical states can thus be obtained purely from the representation theory of the iosp(d,2/2) algebra. (author)

  9. 2,2′-(Carbono­thio­yldisulfanedi­yl)bis­(2-methyl­propanoic acid)

    Science.gov (United States)

    Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier

    2013-01-01

    The mol­ecular structure of the title compound, C9H14O4S3, exhibits intra­molecular C—H⋯S hydrogen bonds. In the crystal, pairs of O—H⋯O hydrogen bonds lead to the formation of centrosymmetric dimers, which are in turn connected by weak C—H⋯O inter­actions. The combination of these inter­actions generates edge-fused R 2 2(8) and R 2 2(20) rings running along [211]. PMID:23723918

  10. 2-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)- and 2-(2,2-dioxo-1,4-dihydro-2H-2lambda6-benzo[1,2,6]thiadiazin-3-yl)-N-hydroxy-acetamides as potent and selective peptide deformylase inhibitors.

    Science.gov (United States)

    Apfel, C; Banner, D W; Bur, D; Dietz, M; Hubschwerlen, C; Locher, H; Marlin, F; Masciadri, R; Pirson, W; Stalder, H

    2001-06-07

    Potent, selective, and structurally new inhibitors of the Fe(II) enzyme Escherichia coli peptide deformylase (PDF) were obtained by rational optimization of the weakly binding screening hit (5-chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-acetic acid hydrazide (1). Three-dimensional structural information, gathered from Ni-PDF complexed with 1, suggested the preparation of two series of related hydroxamic acid analogues, 2-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamides (A) and 2-(2,2-dioxo-1,4-dihydro-2H-2lambda(6)-benzo[1,2,6]thiadiazin-3-yl)-N-hydroxy-acetamides (B), among which potent PDF inhibitors (37, 42, and 48) were identified. Moreover, two selected compounds, one from each series, 36 and 41, showed good selectivity for PDF over several endoproteases including matrix metalloproteases. However, these compounds showed only weak antibacterial activity.

  11. Metabolome profiling to understand the defense response to sugar beet (Beta vulgaris) to Rhizoctonia solani AG 2-2 IIIB

    Science.gov (United States)

    Rhizoctonia crown and root rot, caused by Rhizoctonia solani Kühn AG 2-2 IIIB, is an important disease of sugar beet (Beta vulgaris L.). The molecular processes that mediate sugar beet resistance to R. solani are largely unknown and identifying the metabolites associated with R. solani infection ma...

  12. Nephrotoxicity of mercapturic acids of three structurally related 2,2-difluoroethylenes in the rat. Indications for different bioactivation mechanisms.

    NARCIS (Netherlands)

    Commandeur, J.N.M.; Brakenhoff, J.P.G.; de Kanter, F.J.J.; Vermeulen, N.P.E.

    1988-01-01

    The biotransformation and the hepato- and nephrotoxicity of the mercapturic acids (N-acetyl-1-cysteine S-conjugates) of three structurally related 2,2-difluoroethylenes were investigated in vivo in the rat. All mercapturic acids appeared to cause nephrotoxicity, without any measureable effect on the

  13. Contribution of the autolysin AtlA to the bactericidal activity of amoxicillin against Enterococcus faecalis JH2-2.

    Science.gov (United States)

    Bravetti, Anne-Lise; Mesnage, Stéphane; Lefort, Agnès; Chau, Françoise; Eckert, Catherine; Garry, Louis; Arthur, Michel; Fantin, Bruno

    2009-04-01

    The bactericidal activity of amoxicillin was investigated against Enterococcus faecalis JH2-2 and against an isogenic mutant deficient in the production of the N-acetylglucosaminidase AtlA. Comparison of the two strains indicated that this autolysin contributes to killing by amoxicillin both in vitro and in a rabbit model of experimental endocarditis.

  14. Acute inhalation of 2,2,4-trimethylpentane alters visual evoked potentials and signal detection behaviour of rats.

    Science.gov (United States)

    The volatile organic compound 2,2,4-trimethylpentane (TMP, “isooctane”) is a primary constituent of gasoline for which the current health effects data are insufficient to permit EPA to conduct a risk assessment. We evaluated potential neurological impairment from acute inhalati...

  15. Acute Inhalation of 2,2,4-Trimethylpentane Alters Visual Evoked Potentials and Signal Detection Behavior in Rats

    Science.gov (United States)

    The volatile organic compound 2,2,4-trimethylpentane (TMP, "isooctane") is a constituent of gasoline for which the current health effects data are insufficient to permit the US Environmental Protection Agency to conduct a risk assessment. The potential neurological impairment fro...

  16. Detection of Nuclear Protein Profile Changes by Human Metapneumovirus M2-2 Protein Using Quantitative Differential Proteomics

    Directory of Open Access Journals (Sweden)

    Yuping Ren

    2017-12-01

    Full Text Available Human metapneumovirus (hMPV is a leading cause of lower respiratory infection in pediatric populations globally. This study examined proteomic profile changes in A549 cells infected with hMPV and two attenuated mutants with deleted PDZ domain-binding motif(s in the M2-2 protein. These motifs are involved in the interruption of antiviral signaling, namely the interaction between the TNF receptor associated factor (TRAF and mitochondrial antiviral-signaling (MAVS proteins. The aim of this study was to provide insight into the overall and novel impact of M2-2 motifs on cellular responses via an unbiased comparison. Tandem mass tagging, stable isotope labeling, and high-resolution mass spectrometry were used for quantitative proteomic analysis. Using quantitative proteomics and Venn analysis, 1248 common proteins were detected in all infected samples of both technical sets. Hierarchical clustering of the differentiated proteome displayed distinct proteomic signatures that were controlled by the motif(s. Bioinformatics and experimental analysis confirmed the differentiated proteomes, revealed novel cellular biological events, and implicated key pathways controlled by hMPV M2-2 PDZ domain-binding motif(s. This provides further insight for evaluating M2-2 mutants as potent vaccine candidates.

  17. Femtosecond double proton transfer dynamics in [2,2'-bipyridyl]-3,3'-diol in sol-gel glasses

    NARCIS (Netherlands)

    Prosposito, P.; Marks, D.R.A.; Zhang, H.; Glasbeek, M.

    1998-01-01

    Abstract: Intramolecular excited state double proton-transfer dynamics has been studied for [2,2'-bipyridyl]-3,3'-diol (BP(OH)2) in sol-gel glass. By means of the femtosecond fluorescence up-conversion technique, the spectral dependence of the fluorescence transients obtained for BP(OH)2 in a few

  18. 40 CFR 721.8145 - Propane,1,1,1,2,2,3,3-heptafluoro-3-methoxy-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Propane,1,1,1,2,2,3,3-heptafluoro-3-methoxy-. 721.8145 Section 721.8145 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... significant new uses are: (i) Industrial, commercial, and consumer activities. Requirements as specified § 721...

  19. The oxidation of 2,2,5-three methyl-6-spiro cyclo hexane di hydro pyranol-5(X CI)

    International Nuclear Information System (INIS)

    Nikitin, V.I.

    1961-01-01

    In this chapter of book author as a result of oxidation of 2,2,5-three methyl-6-spiro cyclo hexane di hydro pyranol-5 evolved acetone, cyclopentanone, formic acid, acetic acid, oxalic acid, α-oxi isobutyric acid and adipinic acids

  20. Synthesis of 2,2'-bipyridines : from versatile building blocks to sexy architectures and functional (nano)materials

    NARCIS (Netherlands)

    Newkome, G.R.; Patri, A.K.; Holder, E.; Schubert, U.S.

    2004-01-01

    The latest synthetic strategies to prepare 2,2-bipyridine and its mono-substituted, symmetrical and unsymmetrical 3,3-, 4,4-, 5,5-, and 6,6-disubstituted derivatives are critically discussed and evaluated. Different coupling procedures to achieve new symmetrical and unsymmetrical functionalized

  1. Stabilization and reactivity of a terminal phosphidounit on Pt(II). Synthesis and X-ray structure of cationic diphelylphosphine [Pt{C6H3(CH2NMe2)2-2,6}(PHPh2)][CF3SO3] and Diphenyl-phosphido Bridged Pt(II)-Pd(II) Complex [Pt{C6H3(CH2NMe2)2-2,6} (µ-PPh2) Pd(C6H4CH2NMe2-2)(H2O)][BF4] CH2Cl2

    NARCIS (Netherlands)

    Koten, G. van; Maassarani, F.; Davidson, M.F.; Wehman-Ooyevaar, ICM; Grove, D.M.; Koten, M.A. van; Smeets, W.J.J.; Spek, A.L.

    1995-01-01

    Reaction of diphenylphosphine with the complexes [Pt(NCN)(H{2}O)]X (NCN = C{6}H{3}(CH{2}NMe{2}){2}-2, 6; X = BF{4} (1a), OSO{2}CF{3} (1b)) leads to substitution of the H{2}O ligand to afford the ionic Pt(II) complexes [Pt(NCN)(PHPh{2})]X (X = BF{4} (2a), OSO{2}CF{3} (2b)). The X-ray structure of the

  2. NKX2.2, PDX-1 and CDX-2 as potential biomarkers to differentiate well-differentiated neuroendocrine tumors.

    Science.gov (United States)

    Yang, Michelle X; Coates, Ryan F; Ambaye, Abiy; Cortright, Valerie; Mitchell, Jeannette M; Buskey, Alexa M; Zubarik, Richard; Liu, James G; Ades, Steven; Barry, Maura M

    2018-01-01

    Well-differentiated neuroendocrine tumors (NET) most frequently arise from the gastrointestinal tract (GI), pancreas, and lung. Patients often present as metastasis with an unknown primary, and the clinical management and outcome depend on multiple factors, including the accurate diagnosis with the tumor primary site. Determining the site of the NET with unknown primary remains challenging. Many biomarkers have been investigated in primary NETs and metastatic NETs, with heterogeneous sensitivity and specificity observed. We used high-throughput tissue microarray (TMA) and immunohistochemistry (IHC) with antibodies against a panel of transcriptional factors including NKX2.2, PDX-1, PTF1A, and CDX-2 on archived formalin-fixed paraffin-embedded NETs, and investigated the protein expression pattern of these transcription factors in 109 primary GI ( N  = 81), pancreatic ( N  = 17), and lung ( N  = 11) NETs. Differential expression pattern of these markers was observed. In the GI and pancreatic NETs ( N  = 98), NKX2.2, PDX-1, and CDX-2 were immunoreactive in 82 (84%), 14 (14%), and 52 (52%) cases, respectively. PDX-1 was expressed mainly in the small intestinal and appendiceal NETs, occasionally in the pancreatic NETs, and not in the colorectal NETs. All three biomarkers including NKX2.2, PDX-1, and CDX-2 were completely negative in lung NETs. PTF1A was expressed in all normal and neuroendocrine tumor cells. Our findings suggest that NKX2.2 was a sensitive and specific biomarker for the GI and pancreatic neuroendocrine tumors. We proposed that a panel of immunostains including NKX2.2, PDX-1, and CDX-2 may show diagnostic utility for the most common NETs.

  3. Development and Successful Validation of Simple and Fast TLC Spot Tests for Determination of Kryptofix® 2.2.2 and Tetrabutylammonium in 18F-Labeled Radiopharmaceuticals

    Directory of Open Access Journals (Sweden)

    Matthias Kuntzsch

    2014-05-01

    Full Text Available Kryptofix® 2.2.2 (Kry or tetrabutylammonium (TBA are commonly used as phase transfer catalysts in 18F-radiopharmaceutical productions for positron emission tomography (PET. Due to their toxicity, quality control has to be performed before administration of the tracer to assure that limit concentration of residual reagent is not reached. Here, we describe the successful development and pharmaceutical validation (for specificity, accuracy and detection limit of a simplified color spot test on TLC plates. We were able to prove its applicability as a general, time and resources saving, easy to handle and reliable method in daily routine analyzing 18F-tracer formulations for Kry (in [18F]FDG or [18F]FECh or TBA contaminations (in [18F]FLT with special regard to complex matrix compositions.

  4. Evaluation of genotoxicity induced by hydrogen peroxide in the presence of ions chelator Fe2+ (2,2'-dipyridyl) and of Cu2+(neocuproine), in Escherichia coli: involvement of DNA repair mechanisms in the bacteria survival

    International Nuclear Information System (INIS)

    Almeida, Carlos Eduardo Bonacossa de

    1998-01-01

    Prior incubation of the E. coli cultures with the iron ions chelator 2,2'-dipyridyl (1 mM) caused an intensification of the lethality and the mutagenesis induced by the hydrogen peroxide, mainly at high concentrations (20 mM). It was also detected an enhancement of DNA strand breaks in this condition. The addition of the copper ions chelator neocuproine blocked partially this phenomenon. The enzymes XthA and Nfo act alternatively in the repair of the lesions induced by H 2 O 2 in the presence of 2,2'-dipyridyl. H 2 O 2 can act synergistically with neocuproine in killing E. coli, causing an enhancement in DNA strand breaks. The recombinational repair, the UvrABC excinuclease and Fpg function appeared to participate in the repair of the synergistic lesions. (author)

  5. Electroplex emission from bilayer LED based on 1-phenyl-3-(dimethyl-amino) styryl-5-(p-(dimethylamino) phenyl) pyrazoline and 2,2'-(2,5-thiophenediyl) bis-(5-phenyl)-1,3,4-oxadiazole

    International Nuclear Information System (INIS)

    Zhang Zhiming; Li Guowen; Shen Jiacong; Ma Yuguang

    2003-01-01

    The photoluminescence (PL) and electroluminescence (EL) properties of a novel organic compound, 2,2'-(2,5-thiophenediyl) bis-(5-phenyl)-1,3,4-oxadiazole (TOXD), were studied as electron transporting material. The PL emission maximum peak is at 408 nm of TOXD in chloroform and is at 472 nm in solid film, respectively. The EL emission maximum peaks of the bilayer ITO/PDP/TOXD/Al LED located between emission maximum peaks of TOXD (470 nm) and PDP (500 nm) at lower driving voltage, 4.5-5.4 V, and shifted to 508 nm at 6.0 V and 518 nm at 7.0 V with increase of applied voltage. The new EL emission peak at 518 nm from the bilayer LED is ascribed to electroplex formation at the interface of TOXD and PDP film in bilayer LED under external electric field. The electroplex emission is close to the energy levels of PDP and TOXD

  6. Synthesis and antimicrobial activity of guanylhydrazones. Synthesis of 2-(2-methylthio-2-aminovinyl)-1-methylpyridinium iodides and 2-(2-methylthio-2-aminovinyl)-1-methylquinolinium iodides as potential radioprotective and anticancer agents

    International Nuclear Information System (INIS)

    Almassian, B.

    1985-01-01

    The finding of appreciable antileukemic activity in a series of 2-(2-methylthio-2-amino)vinyl-1-methylquinolinium iodides (Foye et al., 1980, 1983) suggested that greater basicity, as compared with the corresponding dithioacetic acids, was contributing to the increase in activity. The addition of a greater degree of basicity in the design of anticancer possibilities in this series was considered worth investigation, particularly in view of the activity of a series of bis(quanylhydrazones) synthesized at Lederle Laboratories. Accordingly, a series of guanylhydrazones of 4-pyridine-,2-pyridine- and 4-quinolinecarboxyaldehydes was synthesized for anticancer as well as antibacterial screening. Also, substitution of additional basic functions in the 2-(2-methylthio-2-amino) vinyl-1-methylquinolinium and pyridinium iodide series has been made. Appreciable antimicrobial activities have been found with both 2-pyridine and 4-quinolinealdehyde guanylhydrazones, as well as with 2-(2-methylthio-2-amino)vinyl-1-methyl-pyridinium iodides. The overall approach to the synthesis of potential anticancer agents in this project is thus to observe the effect of increasing basicity of these compounds on DNA binding and anticancer activity

  7. Metabolism of the insecticidally active GABA sub A receptor antagonist 4-sec-(3,4- sup 3 H sub 2 )butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo(2. 2. 2)octane

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Yanli; Palmer, C.J.; Toia, R.F.; Casida, J.E. (Univ. of California, Berkeley (USA))

    1990-03-01

    4-sec-(3,4-{sup 3}H{sub 2})Butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo(2.2.2)octane (referred to as ({sup 3}H)COB) was examined as an example of a new class of insecticidally active compounds that block the {gamma}-aminobutyric acid gated chloride channel. Metabolites were identified by thin-layer cochromatography with standards from synthesis and by consideration of their hydrolytic and oxidative degradation products formed in situ on two-dimensional silica gel chromatoplates. Metabolism of ({sup 3}H)COB by mouse liver and housefly abdomen microsomes is dependent on fortification with NADPH. The O-methylene and sec-butyl sites are sensitive to oxidation. Each carbon of the sec-butyl group is individually functionalized with strong preference for the methylene site in the mouse but not the housefly microsomal system. O-Methylene hydroxylation initiates spontaneous cage opening to form an aldehyde that undergoes metabolic reduction, ultimately yielding the same cyanobenzoate ester of 2,2-bis-(hydroxymethyl)-3-methylpentan-1-ol formed by direct hydrolysis. Houseflies injected with ({sup 3}H)COB form many if not all of the same metabolites, with major products being the aforementioned cyanobenzoate, the orthoester oxidized at the sec-butyl methylene site, and polar conjugates.

  8. Synthesis and spectroscopic and structural characterization of the monomeric diborylphosphine and diphosphinoborane compounds PhP(BMes2)2 and MesB(PPh2)2 (Mes = 2,4,6-Me3C6H2)

    International Nuclear Information System (INIS)

    Bartlett, R.A.; Dias, H.V.R.; Power, P.P.

    1988-01-01

    The synthesis and spectroscopic and first x-ray structural characterization of a diborylphosphine, PhP(BMes 2 ) 2 (1), and a diphosphinoborane, MesB(PPh 2 ) 2 (2), are described. The structure of 1 has a planar core that involves the phosphorus and two boron atoms and also the five substituent carbons. In addition, the B-P bond lengths are shortened, which suggests a close structural analogy between 1 and the allyl cation. In the case of 2, although the boron remains planar, both phosphorus centers are pyramidal with slightly longer B-P bonds than in 1. Both 1 and 2 are the first examples of their respective classes of compound to be well characterized. Crystal data with Mo Kα radiation (λ = 0.71069 /angstrom/) at 130 K are as follows. 1: a = 14.302 (4) /angstrom/, b = 15.701 (3) /angstrom/, c = 16.601 (6) /angstrom/, β = 109.61 (2)/degrees/; monoclinic, space group C2/c, Z = 4, R = 0.059. 2: a = 7.815 (2) /angstrom/, b = 8.723 (2) /angstrom/, c = 40.147 (10) /angstrom/, β = 94.90 (2)/degrees/; monoclinic, space group P2 1 /n, Z = 4, R = 0.041. A listing of available 11 B and 31 P NMR data on compounds involving triply connected boron and phosphorus centers is also provided and discussed in the context of the data for 1 and 2. 25 references, 2 figures, 4 tables

  9. New palladium(II) and platinum(II) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity.

    Science.gov (United States)

    Icsel, Ceyda; Yilmaz, Veysel T; Kaya, Yunus; Samli, Hale; Harrison, William T A; Buyukgungor, Orhan

    2015-04-21

    Novel palladium(ii) and platinum(ii) complexes of 5,5-diethylbarbiturate (barb) with 2-phenylpyridine (Hppy), 2,2'-bipyridine (bpy) and 2,2'-dipyridylamine (dpya) have been prepared and characterized by elemental analysis, IR, UV-Vis, NMR and ESI-MS. Single-crystal diffraction measurements show that complex consists of binuclear [Pd2(μ-barb-κN,O)2(ppy-κN,C)2] moieties, while complexes are mononuclear, [M(barb-κN)2(L-κN,N')] (L = bpy or dpya). has a composition of [Pt(dpya-κN,N')2][Ag(barb-κN)2]2·4H2O and was assumed to have a structure of [Pt(barb-κN)(Hppy-κN)(ppy-κN,C)]·3H2O. The complexes were found to exhibit significant DNA binding affinity by a non-covalent binding mode, in accordance with molecular docking studies. In addition, complexes and displayed strong binding with supercoiled pUC19 plasmid DNA. Cellular uptake studies were performed to assess the subcellular localization of the selected complexes. A moderate radical scavenging activity of and was confirmed by DPPH and ABTS tests. Complexes , , and showed selectivity against HT-29 (colon) cell line.

  10. Metabolism of the insecticidally active GABAA receptor antagonist 4-sec-[3,4-3H2]butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo[2.2.2]octane

    International Nuclear Information System (INIS)

    Deng, Yanli; Palmer, C.J.; Toia, R.F.; Casida, J.E.

    1990-01-01

    4-sec-[3,4- 3 H 2 ]Butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo[2.2.2]octane (referred to as [ 3 H]COB) was examined as an example of a new class of insecticidally active compounds that block the γ-aminobutyric acid gated chloride channel. Metabolites were identified by thin-layer cochromatography with standards from synthesis and by consideration of their hydrolytic and oxidative degradation products formed in situ on two-dimensional silica gel chromatoplates. Metabolism of [ 3 H]COB by mouse liver and housefly abdomen microsomes is dependent on fortification with NADPH. The O-methylene and sec-butyl sites are sensitive to oxidation. Each carbon of the sec-butyl group is individually functionalized with strong preference for the methylene site in the mouse but not the housefly microsomal system. O-Methylene hydroxylation initiates spontaneous cage opening to form an aldehyde that undergoes metabolic reduction, ultimately yielding the same cyanobenzoate ester of 2,2-bis-(hydroxymethyl)-3-methylpentan-1-ol formed by direct hydrolysis. Houseflies injected with [ 3 H]COB form many if not all of the same metabolites, with major products being the aforementioned cyanobenzoate, the orthoester oxidized at the sec-butyl methylene site, and polar conjugates

  11. Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)2]2+

    DEFF Research Database (Denmark)

    Biasin, Elisa; Brandt van Driel, Tim; Kjær, Kasper Skov

    2016-01-01

    We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Source. Through direct comparisons with density functional theory calculations, our analysis shows that the photoexcitat......We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Source. Through direct comparisons with density functional theory calculations, our analysis shows...... find that the equilibrium bond-elongated structure of the high spin state is established on a single-picosecond time scale and that this state has a lifetime of ∼7 ps....

  12. Poly[[diaquabis(μ2-4,4′-bipyridinemanganese(II] bis[2-(2-carboxyphenyldisulfanylbenzoate

    Directory of Open Access Journals (Sweden)

    Shao-Ming Fang

    2009-05-01

    Full Text Available The title complex, {[Mn(C10H8N22(H2O2](C14H9O4S22}n, contains an octahedrally coordinated MnII cation and 2-(2-carboxyphenyldisulfanylbenzoate anions. The MnII center is situated on a crystallographic center of inversion and is coordinated by four 4,4′-bipyridine (4,4′-bipy ligands and two water molecules. The 4,4′-bipy ligands act as bridging ligands, producing a fishing-net-like two-dimensional framework. In the crystal structure, this positively charged framework is charge balanced by 2-(2-carboxyphenyldisulfanylbenzoate anions that form a separate anionic two-dimensional framework via intermolecular O—H...O hydrogen bonds and C—H...π stacking interactions. Additional intermolecular O—H...O hydrogen bonds link the cationic and anionic frameworks to form the three-dimensional crystal structure.

  13. Effect of temperature and pressure on excess electron mobility in n-hexane, 2,2,4-trimethylpentane, and tetramethylsilane

    International Nuclear Information System (INIS)

    Munoz, R.C.; Holroyd, R.A.

    1986-01-01

    Measurements of excess electron mobility are reported for liquid n-hexane, 2,2,4-trimethylpentane, and tetramethylsilane for pressures from 1 to 2500 bar and for temperatures from 18 to 120 0 C. For tetramethylsilane, a liquid that exhibits a high electron mobility, the mobility at constant density is proportional to T/sup -0.9/ between 25 and 100 0 C. The results are compared with the Basak--Cohen deformation potential theory. For n-hexane, where the mobility is low, Arrhenius behavior is observed. The isochoric activation energy increases with density. The results in this case are consistent with both the two-state and hopping models. In 2,2,4-trimethylpentane the mobility increases with increasing pressure at room temperature and decreases at high temperature. At 2500 bar and at intermediate temperatures (70--80 0 C) the mobility is approximately constant

  14. Densities, excess molar volumes, and refractive indices of 1,1,2,2-tetrabromoethane and 1-alkanols binary mixtures

    International Nuclear Information System (INIS)

    Al-Hayan, M.N.M.; Al-Bader, Maher A.M.

    2006-01-01

    Densities, excess molar volumes, refractive indices, and changes in refractive index on mixing for (1,1,2,2-tetrabromoethane + 1-pentanol, or 1-hexanol, or 1-heptanol, or 1-octanol, or 1-decanol) have been determined at T = 293.15 K and at T = 303.15 K. The excess molar volumes and changes in refractive index have been fitted to Redlich-Kister polynomials. The effect of the chain length of the 1-alkanol on the excess molar volume and the change in the refractive index of its mixtures with 1,1,2,2-tetrabromoethane are discussed. In addition, the refractive indices are compared with calculated values using mixing rules proposed by several authors, and a good agreement is obtained

  15. Densities, excess molar volumes, and refractive indices of 1,1,2,2-tetrachloroethane and 1-alkanols binary mixtures

    International Nuclear Information System (INIS)

    Al-Hayan, M.N.M.

    2006-01-01

    Densities, excess molar volumes, refractive indices, and changes in refractive index on mixing for 1,1,2,2-tetrachloroethane + 1-pentanol, or 1-hexanol, or 1-heptanol, or 1-octanol, or 1-decanol have been determined at T = (293.15 and 303.15) K. The excess molar volumes and changes in refractive index have been fitted to Redlich-Kister polynomials. The effect of the chain length of the 1-alkanol on the excess molar volume and the change in the refractive index of its mixtures with 1,1,2,2-tetrachloroethane was discussed. In addition, the refractive indices were compared with calculated values using mixing rules proposed by several authors, and a very good agreement was obtained

  16. EJ2-MCNPlib. Contents of the JEF-2.2 based neutron cross-section library for MCNP4A

    International Nuclear Information System (INIS)

    Hogenbirk, A.; Oppe, J.

    1995-05-01

    In this report a description is given of the EJ2-MCNPlib library. The EJ2-MCNPlib library is to be used for reactivity/critically calculations and general neutron/photon transport calculations with the Monte Carlo code MCNP4A. The library is based on the European JEF-2.2 nuclear data evaluation and contains data for all (i.e. 313) nuclides available on this evaluation.The cross-section data were generated using the NJOY cross-section processing code system, version 91.118. For easy reference cross-section plots are given in this report for the total, elastic and absorption cross sections for all nuclides on the EJ2-MCNPlib library. Furthermore, for verification purposes a graphical intercomparison is given of the results of standard benchmark calculations performed with JEF-2.2 cross-section data and with ENDF/B-V cross-section data (whenever available). 6 refs

  17. Extraction - spectrophotometric determination of tantalum (V) with 2-(2-thiazolylazo)-5-dimethylaminophenol and 1,3-diphenylguanidine

    International Nuclear Information System (INIS)

    Tsurumi, C.; Furuya, K.; Kamada, H.

    1981-01-01

    Tantalum(V)-2-(2-thiazolylazo)-5-dimethylaminophenol (TAM) chelate anion is extracted quantitatively into benzyl alcohol with 1,3-diphenylguanidine (DPG) to form a ternary complex. In the organic phase, the complex has an absorption maximum at 605 nm. The optimum pH range for the extraction is 4.1 to 4.9 and the ternary complex is stable for at least 50 min. Beer's law is obeyed over a concentration range of 2 to 18 μg of tantalum(V) in 10 ml of the organic phase. The molar absorptivity of the ternary complex is 4.1 x 10 4 l mol -1 at 605 nm. The composition of the ternary complex is considered to be (TaO 2 ) 2 (TAM) 3 (DPG + ). (author)

  18. Synthesis and photostabilizing performance of a polymeric HALS based on 1,2,2,6,6-pentamethylpiperidine and vinyl acetate

    Directory of Open Access Journals (Sweden)

    Marcelo Aparecido Chinelatto

    2015-01-01

    Full Text Available Abstract Polymeric hindered amine light stabilizers (polymeric HALS have been extensively studied because they combine a high ability to protect the polymers against harmful effects of weathering with minimum physical loss. In this study a new polymeric N-methylated HALS was synthesized by the radical copolymerization of a cyclic tertiary amine with vinyl acetate (VAc. 4-Acryloyloxy-1,2,2,6,6-pentamethylpiperidine (APP, the cyclic tertiary amine, was prepared by the initial conversion of 2,2,6,6-tetramethyl-4-piperidinol derivatives via two different routes. The APP/VAc copolymer synthesized was characterized by size exclusion chromatography (SEC, Fourier transform infrared spectroscopy (FTIR and carbon-13 nuclear magnetic resonance (13C NMR. The photostabilizing performance, particularly the induction period of polypropylene (PP films containing different concentrations of APP/VAc copolymer, when exposed to accelerated aging, was comparable to that of PP films compounded with commercial polymeric HALS.

  19. Concurrent coordination of ligand in metal chloride complexes with 1-vinyl-2-(2-pyridyl)benzimidazole

    International Nuclear Information System (INIS)

    Bajkalov, L.V.; Domnina, E.S.

    1996-01-01

    The properties and structure of bivalent cadmium and 1-vinyl-2-(2-pyridyl)benzimidazole chloride complexes, which have been prepared for the first time, have been studied by the methods of potentiometric titration and PMR, 35 Cl NQR, UV and IR spectroscopy. For the complexes above di- and polymeric structures in crystal phase are suggested, where ligand plays the role of a bridge. N,N-bidentate ligand. In solution the complexes dissociate with formation of monomeric coordination compounds, their metal being bound by different ways, stemming from participation of N benzimidazole or pyridine fragment of the ligand. Adducts of ionic type with second sphere 1-vinyl-2-(2-pyridyl)benzimidazole cation have been obtained in the course of hydrochlorination of the complexes prepared

  20. Evaluation of genotoxicity induced by hydrogen peroxide in the presence of ions chelator Fe{sup 2+} (2,2'-dipyridyl) and of Cu{sup 2+}(neocuproine), in Escherichia coli: involvement of DNA repair mechanisms in the bacteria survival; Avaliacao da genotoxicidade induzida pelo peroxido de hidrogenio na presenca dos quelantes de ions Fe{sup 2+} (2,2'-dipiridil) e de ions Cu{sup 2+} (neocuproina), em Escherichia coli: envolvimento de mecanismos de reparo de DNA na sobrevivencia bacteriana

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Carlos Eduardo Bonacossa de

    1998-07-01

    Prior incubation of the E. coli cultures with the iron ions chelator 2,2'-dipyridyl (1 mM) caused an intensification of the lethality and the mutagenesis induced by the hydrogen peroxide, mainly at high concentrations (20 mM). It was also detected an enhancement of DNA strand breaks in this condition. The addition of the copper ions chelator neocuproine blocked partially this phenomenon. The enzymes XthA and Nfo act alternatively in the repair of the lesions induced by H{sub 2}O{sub 2} in the presence of 2,2'-dipyridyl. H{sub 2}O{sub 2} can act synergistically with neocuproine in killing E. coli, causing an enhancement in DNA strand breaks. The recombinational repair, the UvrABC excinuclease and Fpg function appeared to participate in the repair of the synergistic lesions. (author)

  1. Does 2 + 2 = 5?

    International Nuclear Information System (INIS)

    Flaherty, T.J.

    1992-01-01

    In an era when the themes of management are restructuring, rightsizing, and reengineering, many electric utilities are turning inward, focusing on getting lean. Doing more with less, however, provides only one dimension of the competitive strategy required for a utility to grow and prosper in the 1990s and beyond. Nibleness and flexibility may be essential for prosperity, but scale, position, and strength also will characterize the most successful members of the industry. And the industry recognizes that fact, as indicated by the 25 mergers or acquisitions proposed or under consideration within the last five years. In a period of stagnant economic growth, mergers and acquisitions offer some utilities a natural opportunity to build competitive position by gaining economies of operation that reduce costs and enhance profitability. The resulting entity can achieve stability while remaining flexible and attain strength while remaining nimble. The merger of Kansas Power and Light with Kansas Gas and Electric is given as a case study

  2. Deliverable 2.2

    DEFF Research Database (Denmark)

    Tarabanis, Konstantinos; Efthimios, Tambouris; Zotou, Maria

    2016-01-01

    etc. The report also presents the OD-PBL design pathway, which is a further development of the OD-PBL methodological recommendations presented in the D2.1. This design pathway aims to guide educators when designing learning processes that aim to teach OD by utilizing the PBL learning strategy......The work carried out resulted in the description of the LA field and in the presentation of a total of 18 LA tools that can analyse educational data that can be utilized in the project to support multiple PBL aspects, such as feedback, reflection, self-driven learning, collaboration, application....... The pathway consists of 6 main steps, i.e. Analysis, Gathering of inputs, Design, Development, Implementation and Reflection. Each step provides guidelines on how to plan an OD course and learning processes, and combines all previous project results from D1.1, D1.2, D1.3 and D2.1. Finally, the report presents...

  3. Recon 2.2

    DEFF Research Database (Denmark)

    Swainston, Neil; Smallbone, Kieran; Hefzi, Hooman

    2016-01-01

    The human genome-scale metabolic reconstruction details all known metabolic reactions occurring in humans, and thereby holds substantial promise for studying complex diseases and phenotypes. Capturing the whole human metabolic reconstruction is an on-going task and since the last community effort...

  4. Towards allosteric receptors – synthesis of β-cyclodextrin-functionalised 2,2’-bipyridines and their metal complexes

    Directory of Open Access Journals (Sweden)

    Christopher Kremer

    2014-04-01

    Full Text Available Herein, we present three new 2,2’-bipyridines that carry two β-cyclodextrin moieties in different substitution patterns. When coordinated by zinc(II or copper(I ions (or their complexes, these compounds undergo conformational changes and switch between “open” and “closed” forms and thereby bringing together or separating the cyclodextrin moieties from each other.

  5. Tuning the electrochemistry of homoleptic cobalt 4,4′-disubstituted-2,2′-bipyridine redox mediators

    International Nuclear Information System (INIS)

    Nolan, Jesse P.; Jones, Timothy W.; Donne, Scott W.; Wilson, Gregory J.

    2013-01-01

    Highlights: • Cobalt(II) tris(2,2′-bipyridine) complexes were prepared with electron withdrawing or donating groups in the ligand 4 and 4′ positions. • The formal potential of the redox couples was tuned with the Hammett Parameter of the substituent. • Substitution also leads to sluggish oxidation kinetics, as observed with decreased heterogeneous rate constant and transfer coefficient >0.5. Reduction kinetics remained facile. -- Abstract: The electrochemistry of a series of Co(II) tris(4,4′-disubstituted-2,2′-bipyridine) hexafluorophosphate complexes was investigated in acetonitrile, and compared to the parent, un-substituted 2,2′-bipyridine complex. The introduction of an electron-withdrawing halogen substituent increased the formal redox potential of the couple by 190–270 mV, in the order of F > Cl > Br > I. Substitution with electron-donating tert-butyl and methoxy groups acted as electron donating groups, and decreased the formal potential by 150–190 mV. Substitution in the 4,4′ positions, irrespective of electron withdrawing or donating character, also imparted an asymmetry in the anodic peak in the cyclic voltammograms, where the oxidation process became more sluggish than the corresponding reduction. Kinetics of Co(II) oxidation was evaluated by Koutecký–Levich analysis at a rotating Pt disc, revealing superior oxidation kinetics of the un-substituted 2,2′-bipyridine complex by up to an order of magnitude or larger. The anodic transfer coefficients were also extracted from this analysis, revealing ideal α = 0.50 for the parent complex, to 0.70 ≤ α ≤ 0.88 for complexes with substituted ligands

  6. DISCOVERING THE MISSING 2.2 < z < 3 QUASARS BY COMBINING OPTICAL VARIABILITY AND OPTICAL/NEAR-INFRARED COLORS

    International Nuclear Information System (INIS)

    Wu Xuebing; Wang Ran; Bian Fuyan; Jiang Linhua; Fan Xiaohui; Schmidt, Kasper B.

    2011-01-01

    The identification of quasars in the redshift range 2.2 < z < 3 is known to be very inefficient because the optical colors of such quasars are indistinguishable from those of stars. Recent studies have proposed using optical variability or near-infrared (near-IR) colors to improve the identification of the missing quasars in this redshift range. Here we present a case study combining both methods. We select a sample of 70 quasar candidates from variables in Sloan Digital Sky Survey (SDSS) Stripe 82, which are non-ultraviolet excess sources and have UKIDSS near-IR public data. They are clearly separated into two parts on the Y - K/g - z color-color diagram, and 59 of them meet or lie close to a newly proposed Y - K/g - z selection criterion for z < 4 quasars. Of these 59 sources, 44 were previously identified as quasars in SDSS DR7, and 35 of them are quasars at 2.2 < z < 3. We present spectroscopic observations of 14 of 15 remaining quasar candidates using the Bok 2.3 m telescope and the MMT 6.5 m telescope, and successfully identify all of them as new quasars at z = 2.36-2.88. We also apply this method to a sample of 643 variable quasar candidates with SDSS-UKIDSS nine-band photometric data selected from 1875 new quasar candidates in SDSS Stripe 82 given by Butler and Bloom based on the time-series selections, and find that 188 of them are probably new quasars with photometric redshifts at 2.2 < z < 3. Our results indicate that the combination of optical variability and optical/near-IR colors is probably the most efficient way to find 2.2 < z < 3 quasars and is very helpful for constructing a complete quasar sample. We discuss its implications for ongoing and upcoming large optical and near-IR sky surveys.

  7. Synthesis of 1-Methyl-3-oxo-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic Acid Methyl Ester

    Directory of Open Access Journals (Sweden)

    Gil Valdo José da Silva

    2005-11-01

    Full Text Available A simple and efficient method for the preparation of 1-methyl-3-oxo-7- oxabicyclo[2.2.1]hept-5-en-2-carboxylic acid methyl ester (1 is described. The first step is a highly regioselective Diels-Alder reaction between 2-methylfuran and methyl-3-bromo- propiolate. A remarkably difficult ketal hydrolysis reaction was effected by treatment with HCl, a simple reagent that was shown to be more efficient, in this case, than commonly used more elaborate methods.

  8. Intercomparison of delayed neutron summation calculations among JEF2.2, ENDF/B-VI and JNDC-V2

    Energy Technology Data Exchange (ETDEWEB)

    Sagisaka, Mitsuyuki [Nagoya Univ. (Japan); Oyamatsu, K.; Kukita, Y.

    1998-03-01

    We perform intercomparison of delayed neutron activities calculated with JEF2.2, ENDF/B-VI and JNDC-V2 with a simple new method. Significant differences are found at t < 20 (s) for major fissioning systems. The differences are found to stem from fission yields or decay data of several nuclides. The list of these nuclides are also given for the future experimental determination of these nuclear data. (author)

  9. Bioassay studies of metal(II complexes of 2,2'-(ethane-1,2-diyldiiminodiacetic acid

    Directory of Open Access Journals (Sweden)

    Saeed-ur-Rehman

    2011-08-01

    Full Text Available Ni(II, Cu(II and Zn(II coordination compounds with modified diammine 2,2'-(ethane-1,2-diyldiiminodiacetic acid (EDDA were prepared and characterized. Coordination complexes of the EDDA were characterized by physical measurements including elemental analysis, IR, UV-Visible, magnetic susceptibilities and conductance measurements. The complexes were screened against four pathogenic bacteria like Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae and Staphylococcus aureus and their concentrations for maximum inhibition zones were obtained.

  10. JEF-2.2. The evaluated neutron nuclear data library of the NEA Data Bank. Summary of contents

    International Nuclear Information System (INIS)

    Lemmel, H.D.; Schwerer, O.

    1996-01-01

    This document summarizes the contents of JEF-2.2, the Joint Evaluated File of neutron nuclear data compiled by the OECD Nuclear Energy Agency Data Bank, finalized in 1992 and released in 1993. The entire library or retrievals of selected materials are available from the IAEA Nuclear Data Section free of charge, either on magnetic tape, or online from NDIS, the interactive Nuclear Data Information System. (author)

  11. Sterically screened halogenocyclobutanones. I. Transformations of cyclopropyl-substituted 2,2-dichlorocyclobutanones under the influence of potassium hydroxide

    International Nuclear Information System (INIS)

    Donskaya, N.A.; Bessmertnykh, A.G.; Drobysh, V.A.; Shabarov, Yu.S.

    1987-01-01

    The reaction of 2,2-dichloro-3-cyclopropylcyclobutanones with potassium hydroxide was studied. The direction of the reaction depends on the concentration of the potassium hydroxide; with a 2% solution of potassium hydroxide 4,4-dichlorobutyric acids are formed with yields of up to 80%, and with a 15% solution of potassium hydroxide 5-hydroxydihydro-2-furanones are formed with yields of up to 80%. Proposals are made about the mechanism of formation of 5-hydroxydihydro-2-furanones

  12. Liquid crystal europium(III) β-diketonato complex with 5,5'-di(heptadecyl)-2,2'-bipyridine

    International Nuclear Information System (INIS)

    Knyazev, A.A.; Lobkov, V.S.; Galyametdinov, Yu.G.

    2004-01-01

    Liquid crystal europium(III) complex containing β-diketone and 5,5-di(heptadecyl)-2,2'-bipyridine as ligands was prepared in ethanol solution and was isolated as a yellow precipitate with 62% yield. The product was characterized by data of elementary analysis, thermography, IR spectroscopy and luminescence spectra. Temperatures of crystal-mesophase and mesophase-isotropic liquid phase transitions amount to 95 and 130 Deg C respectively [ru

  13. Synthesis and Characterization of Some Macrocylic Complexes Incorporating Indole and 2,2'-Bipyridine or 1,10-Phenanthroline

    Directory of Open Access Journals (Sweden)

    Muhammad S. Khan

    2015-06-01

    Full Text Available Complexes of anionic pentadentate macrocyclic ligands by the template condensation of bis(hydrazino2,2'-bipyridine or 1,10-phenanthroline with an indoledialdehyde have been synthesized. The new Mn(II, Fe(II, Co(II, Ni(II, Cu(II and Zn(II macrocyclic complexes have been characterized by analytical and spectroscopic techniques and by conductivity and magnetic susceptibility measurements.

  14. High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes

    OpenAIRE

    Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.

    2016-01-01

    We present an operationally simple approach to 2,2?-bipyridine macrocycles. Our method uses simple starting materials to produce these previously hard to access rotaxane precursors in remarkable yields (typically >65%) across a range of scales (0.1–5 mmol). All of the macrocycles reported are efficiently converted (>90%) to rotaxanes under AT-CuAAC conditions. With the requisite macrocycles finally available in sufficient quantities, we further demonstrate their long term utility throug...

  15. Conformational isomerism in mixed-ligand complexes of 2,2'-bipyridine and triphenylphosphine with copper(I) halides

    International Nuclear Information System (INIS)

    Barron, P.F.; Engelhardt, L.M.; Healy, P.C.; Kildea, J.D.; White, A.H.

    1988-01-01

    Mixed-ligand complexes of triphenylphosphine and 2,2'-bipyridine and copper(I) halides have been synthesized. The 31 P NMR spectra of the complexes were measured and are reported along with data for complete structural characterization of the complexes. The results indicate a novel dichotomy of conformational isomers to be present in the chloride lattice. The Cu-P bond length was found to not vary with different halides. 8 refs., 4 figs., 6 tabs

  16. 49 CFR 173.115 - Class 2, Divisions 2.1, 2.2, and 2.3-Definitions.

    Science.gov (United States)

    2010-10-01

    ... substances of Class 8, PG I are forbidden from transportation in an aerosol container. (7) Flammable... 2.1, 2.2, and 2.3—Definitions. (a) Division 2.1 (Flammable gas). For the purpose of this subchapter, a flammable gas (Division 2.1) means any material which is a gas at 20 °C (68 °F) or less and 101.3...

  17. Temporal feature of X-ray laser plasma observed from 3ω0/2, 2ω0 harmonic emission

    International Nuclear Information System (INIS)

    Li Wenhong; Mei Qiyong; Zhao Xuewei; Chen Yuting; Chunyu Shutai

    1995-01-01

    Temporal feature of X-ray laser plasma density was observed from 3ω 0 /2, 2ω 0 harmonic emission in the experiments. The temporal feature of 3ω 0 /2 harmonic emission of the germanium film is much different from that of the slab germanium target. The production of x-ray laser is closely related to 3ω 0 /2 harmonic emission in the slab germanium targets

  18. Critical surface phase of α2(2 × 4) reconstructed zig-zag chains on InAs(001)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Xiang [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Zhou, Xun [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); School of Physics and Electronics Science, Guizhou Normal University, Guizhou, Guiyang 550001 (China); Wang, Ji-Hong [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Luo, Zi-Jiang [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); School of Education Administration, Guizhou University of Finance and Economics, Guizhou, Guiyang 550004 (China); Zhou, Qing; Liu, Ke; Hu, Ming-Zhe [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Ding, Zhao, E-mail: zding@gzu.edu.cn [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China)

    2014-07-01

    The critical condition for InAs(001) surface phase transition has been studied, the surface phase transition of InAs(001) showed discontinuity with hysteresis cycle as a function of substrate temperature. A mixed reconstruction surface and zig-zag chain α2(2 × 4) reconstruction surface have been observed by scanning tunneling microscopy. Considering the interaction and dynamics of surface arsenic atoms, the zig-zag chains of α2(2 × 4) reconstruction were found to be actually caused by the selective adsorption and desorption of surface arsenic dimers, they played a critical role in the surface phase transition between (2 × 4) and (4 × 2). - Highlights: • Discontinuous surface phase transition phenomena on the flat InAs(001) surface • Nanoscale InAs(001) surface observed by scanning tunneling microscopy • “Zig-Zag” chains of α2(2 × 4) reconstruction • Critical role in the surface phase transition between (2 × 4) and (4 × 2)

  19. Structural and spectral analyses of N,N'-(2,2'-dithiodi-o-phenylene)bis-(furan-2-carboxamide)

    Science.gov (United States)

    Yıldırım, Sema Öztürk; Büyükmumcu, Zeki; Pekdur, Özlem Savaş; Butcher, Ray J.; Doǧan, Şengül Dilem

    2018-02-01

    In this study we report structure determination of N,N'-(2,2'-dithiodi-o-phenylene)bis-(furan-2-carboxamide). 2,2'-Dithiobis(benzamide) derivatives have been reported to possess important biological properties such as antibacterial, antifungal activities and inhibition of blood platelet aggregation and redeterrmined at 100(2)K from the data published by Raftery, Lallbeeharry, Bhowon, Laulloo & Joulea [Acta Cryst. 2009, E65, o16]. 2,2'-Dithiobis(N-butyl-benzamide) has been reported to be useful as an antiseptic for cosmetics. The structural properties of the compound have been characterized by using 1H NMR and the structure were determined by single-crystal X-ray diffraction. Molecular structure crystallizes in triclinic form, space group with a = 9.6396(7) Å, b = 9.9115(7) Å, c = 12.0026(8) Å, α = 109.743(6)°, β = 103.653(6)°, γ = 104.633(6)° and V = 977.15(13) Å3. In the solid state of the molecular structure N-H…S, N-H…O and C-H…O, type interactions provide for stabilization. The geometries of the title compound have been optimized using density functional theory (DFT) method. The calculated values were found to be in agreement with the experimental data.

  20. Tobacco Transcription Factor NtWRKY12 Interacts With TGA2.2 in vitro and in vivo

    Directory of Open Access Journals (Sweden)

    Marcel evan Verk

    2011-07-01

    Full Text Available The promoter of the salicylic acid-inducible PR-1a gene of Nicotiana tabacum contains binding sites for transcription factor NtWRKY12 (WK-box at position -564 and TGA factors (as-1-like element at position -592. Transactivation experiments in Arabidopsis protoplasts derived from wild type, npr1-1, tga256 and tga2356 mutant plants revealed that NtWRKY12 alone was able to induce a PR-1a::β-glucuronidase (GUS reporter gene to high levels, independent of co-expressed tobacco NtNPR1, TGA2.1, TGA2.2 or endogenous Arabidopsis NPR1, TGA2/3/5/6. By in vitro pull-down assays with GST and Strep fusion proteins and by Fluorescence Resonance Energy Transfer assays with protein-CFP and protein-YFP fusions in transfected protoplasts, it was shown that NtWRKY12 and TGA2.2 could interact in vitro and in vivo. Interaction of NtWRKY12 with TGA1a or TGA2.1 was not detectable by these techniques. A possible mechanism for the role of NtWRKY12 and TGA2.2 in PR-1a gene expression is discussed.

  1. Critical surface phase of α2(2 × 4) reconstructed zig-zag chains on InAs(001)

    International Nuclear Information System (INIS)

    Guo, Xiang; Zhou, Xun; Wang, Ji-Hong; Luo, Zi-Jiang; Zhou, Qing; Liu, Ke; Hu, Ming-Zhe; Ding, Zhao

    2014-01-01

    The critical condition for InAs(001) surface phase transition has been studied, the surface phase transition of InAs(001) showed discontinuity with hysteresis cycle as a function of substrate temperature. A mixed reconstruction surface and zig-zag chain α2(2 × 4) reconstruction surface have been observed by scanning tunneling microscopy. Considering the interaction and dynamics of surface arsenic atoms, the zig-zag chains of α2(2 × 4) reconstruction were found to be actually caused by the selective adsorption and desorption of surface arsenic dimers, they played a critical role in the surface phase transition between (2 × 4) and (4 × 2). - Highlights: • Discontinuous surface phase transition phenomena on the flat InAs(001) surface • Nanoscale InAs(001) surface observed by scanning tunneling microscopy • “Zig-Zag” chains of α2(2 × 4) reconstruction • Critical role in the surface phase transition between (2 × 4) and (4 × 2)

  2. Tris(2,2'-bipyridyl) ruthenium(II)-bisoprolol-based electrochemiluminescence coupled with capillary zone electrophoresis

    Energy Technology Data Exchange (ETDEWEB)

    Wang Jingwu [Department of Chemistry, Nanchang University, Nanchang 330031 (China)], E-mail: wangjingwu@ncu.edu.cn; Zhang Xiaojun; Pi Fangfang [Department of Chemistry, Nanchang University, Nanchang 330031 (China); Wang Xiaoxia [Graduate School of Engineering, University of Fukui, Fukui 910-8507 (Japan); Yang Nianjun [Diamond Research Center, National Institute of Advanced Industrial Science and Technology (AIST), Central 2-13, 1-1-1 Umezono, Tsukuba 305-8568 (Japan)], E-mail: nianjun.yang@iaf.fraunhofer.de

    2009-03-01

    Capillary zone electrophoresis (CZE) coupled with tris(2,2'-bipyridyl) ruthenium(II)-based end-column electrogenerated chemiluminescence (ECL) has been utilized to detect bisoprolol in drugs and tablets after its separation from metoprolol. Tetrahydrofuran was used as an additive in the running buffer to obtain the absolute ECL peak of bisoprolol. Bisoprolol reacts as a co-reactant in tris(2,2'-bipyridyl) ruthenium(II) ECL system. Under the optimized experimental conditions, bisoprolol was separated successfully and efficiently from metoprolol and other co-existed materials in tablets and urine samples. The ECL intensity of tris(2,2'-bipyridyl) ruthenium(II)-bisoprolol-based system is linear with the concentration of bisoprolol from 1.5 {mu}M to 0.3 mM with a detection limit of 0.3 {mu}M. Relative standard derivations of the ECL intensity are 2.58% for the detection of 15 {mu}M bisoprolol. This method is a simple, rapid, selective, and sensitive. It was applied successfully for the monitoring of bisoprolol in market available tablets and human urine samples.

  3. Hepatic metabolism affects the atropselective disposition of 2,2',3,3',6,6'-hexachlorobiphenyl (PCB 136) in mice.

    Science.gov (United States)

    Wu, Xianai; Barnhart, Christopher; Lein, Pamela J; Lehmler, Hans-Joachim

    2015-01-06

    To understand the role of hepatic vs extrahepatic metabolism in the disposition of chiral PCBs, we studied the disposition of 2,2',3,3',6,6'-hexachlorobiphenyl (PCB 136) and its hydroxylated metabolites (HO-PCBs) in mice with defective hepatic metabolism due to the liver-specific deletion of cytochrome P450 oxidoreductase (KO mice). Female KO and congenic wild type (WT) mice were treated with racemic PCB 136, and levels and chiral signatures of PCB 136 and HO-PCBs were determined in tissues and excreta 3 days after PCB administration. PCB 136 tissue levels were higher in KO compared to WT mice. Feces was a major route of PCB metabolite excretion, with 2,2',3,3',6,6'-hexachlorobiphenyl-5-ol being the major metabolite recovered from feces. (+)-PCB 136, the second eluting PCB 136 atropisomers, was enriched in all tissues and excreta. The second eluting atropisomers of the HO-PCBs metabolites were enriched in blood and liver; 2,2',3,3',6,6'-hexachlorobiphenyl-5-ol in blood was an exception and displayed an enrichment of the first eluting atropisomers. Fecal HO-PCB levels and chiral signatures changed with time and differed between KO and WT mice, with larger HO-PCB enantiomeric fractions in WT compared to KO mice. Our results demonstrate that hepatic and, possibly, extrahepatic cytochrome P450 (P450) enzymes play a role in the disposition of PCBs.

  4. Crystal Structure of [Bis(DIMETHYLFORMAMIDE Bis (2,2’-PYRIDYLQUINOLINE Iron (II] Bis-(TETRAPHENYLBORATE

    Directory of Open Access Journals (Sweden)

    Bohari M. Yamin

    2009-11-01

    Full Text Available The goal of this research is to obtain single crystal and structural information of iron(II complex with 2,(2'-pyridylquinoline(pq ligands. The reaction of iron(II salt with 2,(2'-pyridylquinoline ligand and sodiumtetraphenylborate in the molar ratio of 1:3:2 in methanol-N,N-dimethylformamide(dmf solution results in an iron(IIcomplex. The formula of the [Fe(pq2(dmf2](BPh42 complex has been obtained from the iron(II and C, H, N contents.Single crystal of [Fe(pq2(dmf2](BPh42 suitable for X-ray investigation was obtained by evaporation of the complexsolution in N,N-dimethylformamide at room temperature after 24 hours. This compound crystallizes in monoclinicsystem with C2/c space group, a = 27.950(4, b = 14.169(7, c = 17.717(9 Å and b = 105.669(11°. The structureconsist of iron(II is chelated by two pq ligands through the N atoms and two dmf molecules in a six-coordinationenvironment. The charge of the [Fe(pq2(dmf2]2+ cation is balanced by two tetraphenylborate (BPh4- anions.

  5. Graphite-supported 2,2′-bipyridine-capped ultrafine tin nanoparticles for anodes of lithium-ion batteries

    International Nuclear Information System (INIS)

    Nabais, Catarina; Schneider, Raphaël; Willmann, Patrick; Billaud, Denis

    2012-01-01

    Highlights: ► 2,2′-bipyridine capped Sn nanoparticles as anode materials for Li-ion batteries. ► High dispersion of Sn nanoparticles at the surface of the graphite matrix. ► The introduction of 2,2′-bipyridine improves the capacity and cycling stability. ► A stable reversible capacity of ca. 480 mA h g −1 after 20 cycles was observed. - Abstract: Monodisperse and small tin nanoparticles were prepared from a 2,2′-bipyridine–tin(+2) chloride complex using sodium borohydride as reducing agent. When the synthesis was conducted in the presence of graphite, Sn particles with an average diameter of ca. 29 nm well-dispersed at the surface of graphite were obtained. Electrochemical lithium insertion was carried out in these materials. A stable reversible capacity of ca. 480 mA h g −1 , value 37% higher than that of pure graphite, was found.

  6. Distribution of "2"2"6Ra body burden of workers in an underground uranium mine in India

    International Nuclear Information System (INIS)

    Patnaik, R.L.; Jha, V.N.; Kumar, R.; Srivastava, V.S.; Ravi, P.M.; Tripathi, R.M.

    2014-01-01

    Uranium mine workers are exposed to ore dust containing uranium and its daughter products during different mining operations. These radionuclides may pose inhalation hazards to workers during the course of their occupation. The most significant among these radionuclides is "2"2"6Ra. The measurement of radium body burden of uranium mine workers is important to assess their internal exposure. For this purpose, the radon-in-breath measurement technique has been used in the present paper. Workers at the Jaduguda mine, India, associated with different categories of mining operations were monitored between 2001 and 2007. The measurement results indicate that workers - depending on mining operation category - show "2"2"6Ra body burdens ranging from 0.15 to 2.85 kBq. The maximum body burden was found for workers associated with timbering operations, with an average "2"2"6Ra body burden of 0.85 ± 0.54 kBq. Overall, the average value observed for 800 workers was 0.76 ± 0.51 kBq, which gives rise to an average effective dose of 1.67 mSv per year for inhalation and 0.21 mSv per year for ingestion. (orig.)

  7. Finite-dimensional representations of the quantum superalgebra Uq[gl(2/2)] II: Nontypical representations at generic q

    International Nuclear Information System (INIS)

    Nguyen Anh Ky; Stoilova, N.I.

    1994-11-01

    The construction approach proposed in the previous paper Ref.1 allows us there and in the present paper to construct at generic deformation parameter q all finite-dimensional representations of the quantum Lie superalgebra U q [gl(2/2)]. The finite-dimensional U q [gl(2/2)]-modules W q constructed in Ref.1 are either irreducible or indecomposable. If a module W q is indecomposable, i.e. when the condition (4.41) in Ref.1 does not hold, there exists an invariant maximal submodule of W q , to say I q k , such that the factor-representation in the factor-module W q /I q k is irreducible and called nontypical. Here, in this paper, indecomposable representations and nontypical finite-dimensional representations of the quantum Lie superalgebra U q [gl(2/2)] are considered and classified as their module structures are analyzed and the matrix elements of all nontypical representations are written down explicitly. (author). 23 refs

  8. Synthesis and in vivo evaluation of [O-methyl-{sup 11}C](2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxy)phenyl]ethyl]phenoxy] ethyl-1-methylpyrrolidine as a 5-HT{sub 2A} receptor PET ligand

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, J.S. Dileep [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Div. of Brain Imaging, Dept. of Neuroscience, New York State Psychiatric Institute, New York, NY 10032 (United States)]. E-mail: dk2038@columbia.edu; Prabhakaran, Jaya [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Erlandsson, Kjell [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Dept. of Radiology, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Majo, Vattoly J. [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Simpson, Norman R. [Dept. of Radiology, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Pratap, Mali [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Div. of Brain Imaging, Dept. of Neuroscience, New York State Psychiatric Institute, New York, NY 10032 (United States); Heertum, Ronald L. van [Dept. of Radiology, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Mann, J. John [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Dept. of Radiology, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Div. of Brain Imaging, Dept. of Neuroscience, New York State Psychiatric Institute, New York, NY 10032 (United States); Parsey, Ramin V. [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Div. of Brain Imaging, Dept. of Neuroscience, New York State Psychiatric Institute, New York, NY 10032 (United States)

    2006-05-15

    The serotonin{sub 2A} (5-HT{sub 2A}) receptor is implicated in the pathophysiology of schizophrenia and mood disorders, and in vivo studies of this receptor would be of value in studying the pathophysiology of these disorders and in measuring the relationship of clinical response to receptor occupancy for 5-HT{sub 2A} antagonists such as atypical antipsychotics. Therefore, (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxy)-phenyl]ethyl] phenoxy]ethyl-1-methylpyrrolidine (MPM) (13), a selective and high-affinity (K {sub i}=0.79 nM) 5HT{sub 2A} antagonist, has been radiolabeled with carbon-11 by O-methylation of the corresponding desmethyl analogue (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-hydroxy)phenyl]ethyl]phenoxy] ethyl-1-methylpyrrolidine (12) with [{sup 11}C]methyltriflate in order to determine the suitability of [{sup 11}C]MPM to quantify 5-HT{sub 2A} in living brain using PET. Desmethyl-MPM 12 and standard MPM were prepared, starting from 3-hydroxymethylphenol (2), in excellent yield. The yield obtained for radiolabeling was 40{+-}5% (EOB), and the total synthesis time was 30 min at EOS. PET studies with [{sup 11}C]MPM in baboon showed a distribution in the brain consistent with the known distribution of 5-HT{sub 2A} receptors. The time-activity curves for the high-binding regions peaked at {approx}45 min after injection. Blocking studies with M100907 demonstrated not only 38-57% blocking of tracer binding in brain regions known to have 5-HT{sub 2A} receptors but also 38% blocking in cerebellum, which has a low 5-HT{sub 2A} receptor concentration. Although [{sup 11}C]MPM exhibits appropriate kinetics in baboon for imaging 5-HT{sub 2A} receptors, its specific binding in cerebellum and higher proportion of nonspecific binding limit its usefulness for the in vivo quantification of 5-HT{sub 2A} receptors with PET.

  9. The FOND-2.2 evaluated neutron data library (Russian library of evaluated neutron data files for generating sets of constants in the ABBN constants system)

    International Nuclear Information System (INIS)

    Koshcheev, V.N.; Nikolaev, M.N.; Korchagina, Zh.A.; Savoskina, G.V.

    2001-01-01

    A short description is given of the Russian evaluated neutron data library FOND-2.2. The main purpose of FOND-2.2 is to provide sets of constants for the ABBN constants system. A history of its compilation and the sources of the neutron data are given. The contents of FOND-2.2 are presented with brief comments. (author)

  10. Analysis of effects of 2,2',5,5'-tetracholorobiphenyl on the flux control in oxidative phosphorylation system in rat liver mitochondria.

    NARCIS (Netherlands)

    Mildaziene, V.; Nauciene, Z.; Baniene, R.; Demin, O.V.; Krab, K.

    2002-01-01

    Modular kinetic analysis reveals that the environmental pollutant 2,2′,5,5′tetrachlorobiphenyl (2,2′,5,5′-TCB) affects a large number of steps in oxidative phosphorylation in rat liver mitochondria. 2,2′,5,5′-TCB increases membrane permeability to ions, and inhibits NADH dehydrogenase, cytochrome

  11. 40 CFR 721.9672 - Amides, tall-oil fatty, N-[2-[2-hydroxyethyl)amino]ethyl], reaction products with sulfur dioxide...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Amides, tall-oil fatty, N-[2-[2... Significant New Uses for Specific Chemical Substances § 721.9672 Amides, tall-oil fatty, N-[2-[2-hydroxyethyl... identified as amides, tall-oil fatty, N-[2-[2-hydroxyethyl)amino]ethyl], reaction products with sulfur...

  12. Design, synthesis and biological evaluation of new hybrid anticonvulsants derived from N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide and 2-(2,5-dioxopyrrolidin-1-yl)butanamide derivatives.

    Science.gov (United States)

    Kamiński, Krzysztof; Rapacz, Anna; Łuszczki, Jarogniew J; Latacz, Gniewomir; Obniska, Jolanta; Kieć-Kononowicz, Katarzyna; Filipek, Barbara

    2015-05-15

    The purpose of this study was to synthesize the library of 33 new N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamides, 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamides, and 2-(2,5-dioxopyrrolidin-1-yl)butanamides as potential new hybrid anticonvulsant agents. These hybrid molecules join the chemical fragments of well-known antiepileptic drugs (AEDs) such as ethosuximide, levetiracetam, and lacosamide. The coupling reaction of the 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid, 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid, or 2-(2,5-dioxopyrrolidin-1-yl)butanoic acid with the appropriately substituted benzylamines in the presence of the coupling reagent, N,N-carbonyldiimidazole (CDI) generated the final compounds 4-36. Spectral data acquired via (1)H NMR, (13)C NMR, and LC-MS confirmed the chemical structures of the newly prepared compounds. The initial anticonvulsant screening was performed in mice intraperitoneally (ip), using the maximal electroshock seizure (MES) and subcutaneous pentylenetetrazole (scPTZ) seizure tests. The rotarod test determined the acute neurological toxicity (NT). The results of preliminary pharmacological screening revealed that 25 compounds showed protection in half or more of the animals tested in the MES and/or scPTZ seizure models at the fixed dose of 100mg/kg. The broad spectra of activity across the preclinical seizure models displayed compounds 4, 7, 8, 13, 15-18, 24, and 26. The quantitative pharmacological studies in mice demonstrated the highest protection for compounds 4 (ED50 MES=67.65 mg/kg, ED50scPTZ=42.83 mg/kg); 8 (ED50 MES=54.90 mg/kg, ED50scPTZ=50.29 mg/kg); and 20 (ED50scPTZ=47.39 mg/kg). These compounds were distinctly more potent and provided better safety profiles in the rotarod test compared to valproic acid or ethosuximide, which were used as model AEDs. Compound 8 underwent only a slight metabolic change by the human liver microsomes (HLMs), and also did not affect the activity of human cytochrome P450 isoform

  13. Crystal structure of 5-{4'-[(2-{2-[2-(2-ammonio-eth-oxy)eth-oxy]eth-oxy}eth-yl)carbamo-yl]-4-meth-oxy-[1,1'-biphen-yl]-3-yl}-3-oxo-1,2,5-thia-diazo-lidin-2-ide 1,1-dioxide: a potential inhibitor of the enzyme protein tyrosine phosphatase 1B (PTP1B).

    Science.gov (United States)

    Ruddraraju, Kasi Viswanatharaju; Hillebrand, Roman; Barnes, Charles L; Gates, Kent S

    2015-04-01

    The title compound, C24H32N4O8S, (I), crystallizes as a zwitterion. The terminal amine N atom of the [(2-{2-[2-(2-ammonio-eth-oxy)eth-oxy]eth-oxy}eth-yl)carbamo-yl] side chain is protonated, while the 1,2,5-thia-diazo-lidin-3-one 1,1-dioxide N atom is deprotonated. The side chain is turned over on itself with an intra-molecular N-H⋯O hydrogen bond. The 1,2,5-thia-diazo-lidin-3-one 1,1-dioxide ring has an envelope conformation with the aryl-substituted N atom as the flap. Its mean plane is inclined by 62.87 (8)° to the aryl ring to which it is attached, while the aryl rings of the biphenyl unit are inclined to one another by 20.81 (8)°. In the crystal, mol-ecules are linked by N-H⋯O and N-H⋯N hydrogen bonds, forming slabs lying parallel to (010). Within the slabs there are C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions present.

  14. Crystal structure of 5-{4′-[(2-{2-[2-(2-ammonioethoxyethoxy]ethoxy}ethylcarbamoyl]-4-methoxy-[1,1′-biphenyl]-3-yl}-3-oxo-1,2,5-thiadiazolidin-2-ide 1,1-dioxide: a potential inhibitor of the enzyme protein tyrosine phosphatase 1B (PTP1B

    Directory of Open Access Journals (Sweden)

    Kasi Viswanatharaju Ruddraraju

    2015-04-01

    Full Text Available The title compound, C24H32N4O8S, (I, crystallizes as a zwitterion. The terminal amine N atom of the [(2-{2-[2-(2-ammonioethoxyethoxy]ethoxy}ethylcarbamoyl] side chain is protonated, while the 1,2,5-thiadiazolidin-3-one 1,1-dioxide N atom is deprotonated. The side chain is turned over on itself with an intramolecular N—H...O hydrogen bond. The 1,2,5-thiadiazolidin-3-one 1,1-dioxide ring has an envelope conformation with the aryl-substituted N atom as the flap. Its mean plane is inclined by 62.87 (8° to the aryl ring to which it is attached, while the aryl rings of the biphenyl unit are inclined to one another by 20.81 (8°. In the crystal, molecules are linked by N—H...O and N—H...N hydrogen bonds, forming slabs lying parallel to (010. Within the slabs there are C—H...O and C—H...N hydrogen bonds and C—H...π interactions present.

  15. Mono(p-tolyl)platinum(II) and bis(p-tolyl)platinum(II) complexes of diethylsulfide as reagents for organoplatinum synthesis. Structures of [Pt(p-Tol)2(µ-SEt2)]2 and PtCl(p-Tol)(bpy) (bpy = 2,2'-bipyridine)

    NARCIS (Netherlands)

    Koten, G. van; Casado Lacabra, M.A.; Canty, A.J.; Lutz, M.H.; Patel, J.; Spek, A.L.; Sun, H.

    2001-01-01

    The complex trans-PtCl(p-Tol)(SEt{2}){2} is obtained from the reaction of [Pt(p-Tol){2}(SEt{2})]{2} with PtCl{2}(SEt{2}){2} and SEt{2} in mole ratio 1:2:2. The mono(p-tolyl)platinum(II) and bis(p-tolyl)platinum(II) complexes of diethylsulfide react with 2, 2'-bipyridine to form the complexes

  16. New optically active and thermally stable poly(amide-imide)s containing N,N'-(Bicyclo[2,2,2]oct-7-ene-2,3,5,6-tetracarboxylic)-bis-L-alanine and aromatic diamines: synthesis and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Faghihi, Khalil; Absalar, Morteza; Hajibeygi, Mohsen [Arak University (Iran, Islamic Republic of). Faculty of Science. Organic Polymer Chemistry Research Lab.

    2009-07-01

    Five new optically active poly(amide-imide)s (PAIs) 6a-e were prepared by direct polycondensation reaction of the newly synthesized N,N'-(bicyclo[2,2,2]oct-7-ene-2,3,5,6-tetra carboxylic)-bis-L-alanine 4 with various aromatic diamines 5a-e using polar aprotic solvents such as N-methyl-2-pyrrolidone (NMP). In this technique triphenyl phosphite (TPP) and pyridine were used as condensing agents to form poly(amide-imide)s through the N-phosphonium salts of pyridine. All of the polymers were obtained in quantitative yields with inherent viscosities between 0.29-0.46 dL g{sup -1} and were highly soluble in polar aprotic solvents such as N,N-dimethyl acetamide (DMAc), N,N-dimethyl formamide (DMF), dimethyl sulfoxide (DMSO), N-methyl- 2-pyrrolidone (NMP) and solvents such as sulfuric acid. They were fully characterized by means of {sup 1}H NMR, FTIR spectroscopy, elemental analyses, inherent viscosity, solubility test, specific rotation and thermal properties of these polymers were investigated using thermogravimetric analysis techniques (TGA and DTG). (author)

  17. New optically active and thermally stable poly(amide-imide)s containing N,N'-(Bicyclo[2,2,2]oct-7-ene-2,3,5,6-tetracarboxylic)-bis-L-alanine and aromatic diamines: synthesis and characterization

    International Nuclear Information System (INIS)

    Faghihi, Khalil; Absalar, Morteza; Hajibeygi, Mohsen

    2009-01-01

    Five new optically active poly(amide-imide)s (PAIs) 6a-e were prepared by direct polycondensation reaction of the newly synthesized N,N'-(bicyclo[2,2,2]oct-7-ene-2,3,5,6-tetra carboxylic)-bis-L-alanine 4 with various aromatic diamines 5a-e using polar aprotic solvents such as N-methyl-2-pyrrolidone (NMP). In this technique triphenyl phosphite (TPP) and pyridine were used as condensing agents to form poly(amide-imide)s through the N-phosphonium salts of pyridine. All of the polymers were obtained in quantitative yields with inherent viscosities between 0.29-0.46 dL g -1 and were highly soluble in polar aprotic solvents such as N,N-dimethyl acetamide (DMAc), N,N-dimethyl formamide (DMF), dimethyl sulfoxide (DMSO), N-methyl- 2-pyrrolidone (NMP) and solvents such as sulfuric acid. They were fully characterized by means of 1 H NMR, FTIR spectroscopy, elemental analyses, inherent viscosity, solubility test, specific rotation and thermal properties of these polymers were investigated using thermogravimetric analysis techniques (TGA and DTG). (author)

  18. Enantioselective Diels-Alder Reaction Using Chiral Mg Complexes Derived from Chiral 2-[2-[(Alkyl- or 2-[2-[(Arylsulfonyl)amino]phenyl]-4-phenyl-1,3-oxazoline.

    Science.gov (United States)

    Ichiyanagi, Tsuyoshi; Shimizu, Makoto; Fujisawa, Tamotsu

    1997-11-14

    Magnesium complexes derived from (R)-2-[2-[(alkyl- or (R)-2-[2-[(arylsulfonyl)amino]phenyl]-4-phenyl-1,3-oxazolines and methylmagnesium iodide were found to be efficient Lewis acid catalysts for the Diels-Alder reaction of 3-alkenoyl-1,3-oxazolidin-2-one with cyclopentadiene. Chiral ligands were easily prepared from readily available D-phenylglycinol in good yields. The reaction of 3-acryloyl-1,3-oxazolidin-2-one with cyclopentadiene catalyzed by a stoichiometric amount of the Lewis acid gave exclusively the endo-cycloaddition product in up to 92% ee. The sulfonamide group on the chiral ligand strongly influenced the enantiofacial selectivity: the use of a toluene-, benzene-, 1- or 2-naphthalene-, or methanesulfonamide group in the chiral ligand gave the endo-(2R)-cycloaddition product, while a trifluoromethanesulfonamide group predominantly gave its enantiomer, the endo-(2S)-cycloaddition product, in 65% ee. The scope and limitations of the catalytic effect of chiral Mg(II) complexes on the enantioselectivity of the Diels-Alder reaction were investigated. The reaction mechanism of the Mg(II)-catalyzed reaction is also discussed on the basis of the experimental results.

  19. Parametrization of 2,2,2-trifluoroethanol based on the generalized AMBER force field provides realistic agreement between experimental and calculated properties of pure liquid as well as water-mixed solutions.

    Science.gov (United States)

    Vymětal, Jiří; Vondrášek, Jiří

    2014-09-04

    We present a novel force field model of 2,2,2-trifluoroethanol (TFE) based on the generalized AMBER force field. The model was exhaustively parametrized to reproduce liquid-state properties of pure TFE, namely, density, enthalpy of vaporization, self-diffusion coefficient, and population of trans and gauche conformers. The model predicts excellently other liquid-state properties such as shear viscosity, thermal expansion coefficient, and isotropic compressibility. The resulting model describes unexpectedly well the state equation of the liquid region in the range of 100 K and 10 MPa. More importantly, the proposed TFE model was optimized for use in combination with the TIP4P/Ew and TIP4P/2005 water models. It does not manifest excessive aggregation, which is known for other models, and therefore, it is supposed to more realistically describe the behavior of TFE/water mixtures. This was demonstrated by means of the Kirkwood-Buff theory of solutions and reasonable agreement with experimental data. We explored a considerable part of the parameter space and systematically tested individual combinations of parameters for performance in combination with the TIP4P/Ew and TIP4P/2005 water models. We observed ambiguity in parameters describing pure liquid TFE; however, most of them failed for TFE/water mixtures. We clearly demonstrated the necessity for balanced TFE-TFE, TFE-water, and water-water interactions which can be acquired only by employing implicit polarization correction in the course of parametrization.

  20. Determination of the human cytochrome P450 monooxygenase catalyzing the enantioselective oxidation of 2,2',3,5',6-pentachlorobiphenyl (PCB 95) and 2,2',3,4,4',5',6-heptachlorobiphenyl (PCB 183).

    Science.gov (United States)

    Nagayoshi, Haruna; Kakimoto, Kensaku; Konishi, Yoshimasa; Kajimura, Keiji; Nakano, Takeshi

    2017-10-17

    2,2',3,5',6-Pentachlorobiphenyl (PCB 95) and 2,2',3,4,4',5',6-heptachlorobiphenyl (PCB 183) possess axial chirality and form the aS and aR enantiomers. The enantiomers of these congeners have been reported to accumulate in the human body enantioselectively via unknown mechanisms. In this study, we determined the cytochrome P450 (CYP) monooxygenase responsible for the enantioselective oxidization of PCB 95 and PCB 183, using a recombinant human CYP monooxygenase. We evaluated 13 CYP monooxygenases, namely CYP1A1, CYP1A2, CYP1B1, CYP2A6, CYP2B6, CYP2C8, CYP2C19, CYP2E1, CYP2J2, CYP3A4, CYP3A5, CYP4F2, and aromatase (CYP19), and revealed that CYP2A6 preferably oxidizes aS-PCB 95 enantioselectively; however, it did not oxidize PCB 183. The enantiomer composition was elevated from 0.5 (racemate) to 0.54. In addition, following incubation with CYP2A6, the enantiomer fraction (EF) of PCB 95 demonstrated a time-dependent increase.

  1. Synthesis, characterization and crystal structure of 6-Chloro-4,4‧-dimethyl-2,2‧-bipyridine and 4,4‧-Dimethyl 2,2‧-bipyridine N-Oxide

    Science.gov (United States)

    Conterosito, Eleonora; Magistris, Claudio; Barolo, Claudia; Croce, Gianluca; Milanesio, Marco

    2016-03-01

    The synthesis, the NMR characterization and the crystal structure of 6-Chloro 4,4‧-dimethyl 2,2‧-bipyridine and of the reaction intermediate 4,4‧-Dimethyl 2,2‧-bipyridine N-Oxide are here reported. The target compound crystallizes in the orthorhombic system while the intermediate is monoclinic. In both structures, the molecules are linked by weak interactions. The structure of the reaction intermediate N-oxide is characterized by a dihedral angle between the two phenyl rings of 161.77° while the other is almost planar with a dihedral angle of 179.15°. The crystal packing was investigated, also with the aid of Hirshfeld surface analysis. In the N-oxide reaction intermediate the packing is governed by CH-O interactions, while in the product the packing is simply driven by minimizing the voids and thus maximizing the density, with a prevalence of H•••H and C•••H contacts, as indicated by fingerprint decomposition analysis.

  2. Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol.

    Science.gov (United States)

    Cerezo, Javier; Aranda, Daniel; Avila Ferrer, Francisco J; Prampolini, Giacomo; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Santoro, Fabrizio

    2018-06-01

    We extend a recently proposed mixed quantum/classical method for computing the vibronic electronic circular dichroism (ECD) spectrum of molecules with different conformers, to cases where more than one hindered rotation is present. The method generalizes the standard procedure, based on the simple Boltzmann average of the vibronic spectra of the stable conformers, and includes the contribution of structures that sample all the accessible conformational space. It is applied to the simulation of the ECD spectrum of (S)-2,2,2-trifluoroanthrylethanol, a molecule with easily interconvertible conformers, whose spectrum exhibits a pattern of alternating positive and negative vibronic peaks. Results are in very good agreement with experiment and show that spectra averaged over all the sampled conformational space can deviate significantly from the simple average of the contributions of the stable conformers. The present mixed quantum/classical method is able to capture the effect of the nonlinear dependence of the rotatory strength on the molecular structure and of the anharmonic couplings among the modes responsible for molecular flexibility. Despite its computational cost, the procedure is still affordable and promises to be useful in all cases where the ECD shape arises from a subtle balance between vibronic effects and conformational variety. © 2018 Wiley Periodicals, Inc.

  3. Self-assembling systems based on quaternized derivatives of 1,4-diazabicyclo[2.2.2]octane in nutrient broth as antimicrobial agents and carriers for hydrophobic drugs.

    Science.gov (United States)

    Pashirova, Tatiana N; Lukashenko, Svetlana S; Zakharov, Sergey V; Voloshina, Alexandra D; Zhiltsova, Elena P; Zobov, Vladimir V; Souto, Eliana B; Zakharova, Lucia Ya

    2015-03-01

    Aggregation properties of mono (mono-CS) and dicationic (di-CS) surfactants, namely quaternised derivatives of 1,4-diazabicyclo[2.2.2]octane (DABCO), have been evaluated in water and in nutrient broths of different pH, i.e. in Hottinger broth (рН=7.2) and Sabouraud dextrose broth (рН=5.6). Aggregation capacity of surfactants was shown to be responsible for the solubilization properties of a complex composed of a hydrophobic probe (Sudan I) and a selected drug (quercetin), contributing to the antimicrobial activity of this surfactant system. The effect of N-methyl-d-glucamine (NmDg) additive on the antimicrobial activity of mono-CS, and its aggregation and solubilization parameters, has also been evaluated. A substantial decrease in critical micelle concentration (CMC) of cationic surfactants in nutrient broths (up to 60 times) has been reported. Twofold dilution of monocationic surfactant by NmDg slightly changed the CMC of surfactant; however, it provided a remarkable increase in solubilization capacity (∼by 4 times) and decrease in its toxicity. The data anticipate the potential use of DABCO quaternized derivatives as innovative non-toxic delivery systems for hydrophobic drugs. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Discovery and widespread occurrence of polyhalogenated 1,1'-dimethyl-2,2'-bipyrroles (PDBPs) in marine biota

    International Nuclear Information System (INIS)

    Hauler, Carolin; Martin, René; Knölker, Hans-Joachim; Gaus, Caroline; Mueller, Jochen F.; Vetter, Walter

    2013-01-01

    Polyhalogenated 1,1′-dimethyl-2,2′-bipyrroles (PDBPs) are halogenated natural products (HNPs) previously shown to bioaccumulate in marine mammals and birds. Since their discovery in 1999, six hexahalogenated and a few lesser halogenated congeners have been identified in diverse marine mammal samples. Here we report the identification of 17 additional hexahalogenated PDBPs in the blubber extract of a humpback dolphin (Sousa chinensis) from Queensland, Australia. Thirteen of these new PDBPs were also detected in an Australian sea cucumber (Holothuria sp.). Additional samples were also tested positive on several new PDBPs, including an Australian venus tuskfish (Choerodon venustus) as well as a white whale (Delphinapterus leucas) and a sperm whale (Physeter macrocephalus) from the Northern Hemisphere. GC/ECNI-MS-SIM quantification of the molecular ions was carried out with the help of synthesized standards. The sum concentration of PDBPs was 1.1 mg/kg lipid in the humpback dolphin and 0.48 mg/kg lipid in the sea cucumber. -- Highlights: •Polyhalogenated 1,1′-dimethyl-2,2′-bipyrroles (PDBPs) are natural products. •17 New hexahalogenated PDBPs were identified in marine biota from Australia. •A humpback dolphin (Sousa chinensis) contained 1.1 mg/kg lipid PDBPs. •New PDBPs were also detected in marine mammals from the Northern Hemisphere. -- Detection of new polyhalogenated 1,1′-dimethyl-2,2′-bipyrroles indicates a higher toxic risk of these halogenated natural products in the marine environment than previously known

  5. A search for photometric and spectroscopic evolutionary changes in the young planetary nebula Vy 2-2

    Science.gov (United States)

    Arkhipova, V. P.; Burlak, M. A.; Esipov, V. F.; Ikonnikova, N. P.; Komissarova, G. V.

    2017-12-01

    The results of long-term photometric and spectroscopic observations of the young compact planetary nebula Vy 2-2 (PNG 045.4-02.7) are presented. The UBV photometry in 1990-2016 has revealed a slight brightness trend in the yearly averaged data, most pronounced in the V band. We have measured the relative fluxes of optical emission lines on the spectrograms taken with the 1.25-m telescope at the Southern Station of the SAI MSU in 1999-2016, estimated the absolute flux in the Hβ line to be F(H β) = (2.1 ± 0.4) × 10-12 erg cm-2 s-1, and determined the interstellar extinction constant c(Hβ) = 1.8. The electron temperature and density in the nebula have been estimated from diagnostic line ratios: Te = (10-12) × 103 K and Ne ≥ 105 cm-3. To detect any possible evolutionary changes, we have compared the new observations with the archival data obtained over the entire history of spectroscopic observations of Vy 2-2. No significant changes in the relative intensities of the strongest emission lines and the integrated flux in the H β line exceeding the observational errors have been found. We have revealed a tendency for the intensity ratio F(λ4363)/F(λ4959) to decrease with time, which may be related to a decrease in the electron density in the nebula. Based on our photometric and spectroscopic data, we have estimated the luminosity of the central star of Vy 2-2, which corresponds to the evolutionary tracks for the most massive post-AGB stars of the O-rich sequence.

  6. Microcoaxial cataract surgery outcomes: comparison of 1.8 mm system and 2.2 mm system.

    Science.gov (United States)

    Lee, Kyung-Min; Kwon, Hyung-Goo; Joo, Choun-Ki

    2009-05-01

    To compare clinical outcomes of a 1.8 mm and a 2.2 mm microcoaxial cataract surgery system. Department of Ophthalmology and Visual Science, Kangnam St. Mary's Hospital, College of Medicine, Catholic University of Korea, Seoul, Korea. In a prospective study, eyes were randomly selected to have phacoemulsification using a Stellaris system or an Intrepid Infiniti system. The initial incision size was 1.8 mm and 2.2 mm, respectively. Measured intraoperative parameters included phacoemulsification time, mean cumulative dissipated ultrasound energy (CDE), change in incision size at each step of surgery, and total volume of balanced salt solution (BSS) used. The best corrected visual acuity (BCVA), corneal astigmatism, corneal thickness, and endothelial cell count were evaluated preoperatively and postoperatively. The study evaluated 86 eyes of 78 patients (43 eyes in each group). There were no significant differences in postoperative BCVA, surgically induced astigmatism, or amount of BSS used between the 2 systems (P >.05). However, for high-density cataracts, the 1.8 mm group had a greater change between the initial incision size and the incision size after phacoemulsification (P = .019, nuclear opalescence [NO] NO3; P = .001, NO4), a longer phacoemulsification time (P = .013, NO3), greater mean CDE (P = .005, NO3; P = .001, NO4), and greater corneal endothelial cell loss (P = .003, NO4). Both systems were safe and effective in microcoaxial phacoemulsification. The 1.8 mm system performed better with cortical-type cataract and the 2.2 mm system, with high-density nuclear-type cataract.

  7. Piezoelectric properties of nonstoichiometric Sr1-xBi2+2x/3Ta2O9 ceramics

    International Nuclear Information System (INIS)

    Jain, Rajni; Chauhan, Arun Kumar Singh; Gupta, Vinay; Sreenivas, K.

    2005-01-01

    The effect of poling on the structural, dielectric, and piezoelectric properties has been investigated for sol-gel-derived strontium bismuth tantalate (SBT) [Sr 1-x Bi 2+2x/3 Ta 2 O 9 ] ceramics with x=0.0,0.15,0.30,0.45. The dielectric and ferroelectric properties are found to improve with increase in x up to 0.3. Beyond x>0.3 the properties are found to degrade due to the limited solid solubility and the presence of a mixed phase of bismuth tantalate (BiTaO 4 ) is detected with x=0.45. Poling treatment reduces the dielectric dispersion and dielectric loss in the frequency range (0.1-100 kHz). The resonance and antiresonance frequencies increase with increase in x (x=0-0.30), and the corresponding minimum impedance decreases. The measured coupling coefficients (k p ) are small (0.0967-0.1) for x=0-0.30, and the electromechanical quality factor (Q m =915) is a maximum for the Sr 0.7 Bi 2.2 Ta 2 O 9 composition (x=0.30). The estimated piezoelectric charge coefficient (d 31 ) and piezoelectric voltage coefficient (g 31 ) are 5.2 pC/N and 5.8x10 -3 V m/N, respectively. The positive values of d 31 and g 31 and the low dielectric permittivity of SBT yield a high value for the hydrostatic coefficients, despite the low charge coefficient of d 33 =24 pC/N. The maximum values of charge coefficient (d h =34 pC/N) and voltage coefficient (g h =39x10 -3 V m/N) are obtained for Sr 0.7 Bi 2.2 Ta 2 O 9 composition, and the estimated hydrostatic figure of merit (d h g h x10 -15 =1215 m 2 /N) is high

  8. 2-(2-Hydroxyphenyl)imidazole-based four-coordinate organoboron compounds with efficient deep blue photoluminescence and electroluminescence.

    Science.gov (United States)

    Zhang, Zhenyu; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue

    2017-12-19

    Two new four-coordinate organoboron compounds with 2-(2-hydroxyphenyl)imidazole derivatives as the chelating ligands have been synthesized. They possess high thermal stability and are able to form an amorphous glass state. Crystallographic analyses indicate that the differences in ligand structure cause the change of ππ stacking character. The CH 2 Cl 2 solutions and thin films of these compounds display bright blue emission, and these compounds have appropriate HOMO and LUMO energy levels for carrier injection in OLEDs. By utilizing the good thermal and luminescent properties, as well as the proper frontier orbital energy levels, bright non-doped OLEDs with a simple structure have been realized. Notably, these simple devices show deep blue electroluminescence with the Commission Internationale de l'Éclairage (CIE) coordinate of ca. (0.16, 0.08), which is close to the CIE coordinate of (0.14, 0.08) for standard blue defined by the National Television System Committee. In addition, one of the devices exhibits good performance, showing brightness, current efficiency, power efficiency and external quantum efficiency up to 2692 cd m -2 , 2.50 cd A -1 , 1.81 lm W -1 and 3.63%, respectively. This study not only provides good deep-blue emitting OLED materials that are rarely achieved by using four-coordinate organoboron compounds, but also allows a deeper understanding of the structure-property relationship of 2-(2-hydroxyphenyl)imidazole-based boron complexes, which benefits the further structural design of this type of material.

  9. Fragrance material review on 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethane-1-one.

    Science.gov (United States)

    Scognamiglio, J; Letizia, C S; Api, A M

    2013-12-01

    A toxicologic and dermatologic review of 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethane-1-one when used as a fragrance ingredient is presented. 1-(3,3-Dimethylbicyclo[2.2.1]hept-2-yl)ethane-1-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethane-1-one were evaluated then summarized and includes physical properties, skin irritation, mucous membrane (eye) irritation, and skin sensitization data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al. (Belsito, D., Bickers, D., Bruze, M., Calow, P., Dagli, M., Fryer, A.D., Greim, H., Miyachi, Y., Saurat, J.H., Sipes, I.G., 2013. A Toxicologic and Dermatologic Assessment of Alkyl Cyclic Ketones When Used as Fragrance Ingredients (submitted for publication) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances. Copyright © 2013 Elsevier Ltd. All rights reserved.

  10. Non-linear realization of PSU(2,2 vertical bar 4) on the light-cone

    International Nuclear Information System (INIS)

    Ananth, Sudarshan; Brink, Lars; Kim, Sung-Soo; Ramond, Pierre

    2005-01-01

    The symmetries of the N=4 super-Yang-Mills theory on the light-cone are discussed, solely in terms of its physical degrees of freedom. We derive explicit expressions for the generators of the PSU(2,2 vertical bar 4) superalgebra, both in the free theory, and to all orders in the gauge coupling of the classical theory. We use these symmetries to construct its Hamiltonian, and show that it can be written as a quadratic form of a fermionic superfield

  11. Isothermal (vapour + liquid) equilibrium for binary mixtures of (tetrahydrofuran + 1,1,2,2-tetrachloroethane or tetrachloroethene) at nine temperatures

    International Nuclear Information System (INIS)

    Garriga, R.; Perez, P.; Gracia, M.

    2006-01-01

    Vapour pressures of (tetrahydrofuran + 1,1,2,2-tetrachloroethane, or tetrachloroethene) at nine temperatures between T = 283.15 K and T = 323.15 K were measured by a static method. The reduction of the vapour pressures data to obtain activity coefficients and excess molar Gibbs energies was carried out by fitting the vapour pressure data to the Redlich-Kister polynomial according to Barker's method. Excess molar volumes were also measured at T 298.15 K. A comparative analysis about the thermodynamic behaviour of both systems is performed, in terms of hydrogen bonding and electron-donor-acceptor interactions, as well as the resonance effect in tetrachloroethene

  12. cis-Aquabis(2,2'-bipyridine-κ2N,N')-fluoridochromium(III) bis(perchlorate) dihydrate

    DEFF Research Database (Denmark)

    Birk, Torben; Bendix, Jesper

    2010-01-01

    The title mixed aqua-fluoride complex, [CrF(C(10)H(8)N(2))(2)(H(2)O)](ClO(4))(2)·2H(2)O, has been synthesized by aqua-tion of the corresponding difluoride complex using lanthan-ide(III) ions as F(-) acceptors. The complex crystallizes with a Cr(III) ion at the center of a distorted octa-hedral co......-hedral coordination polyhedron with a cis arrangement of ligands. The crystal packing shows a hydrogen-bonding pattern involving water mol-ecules, the coordinated F atom and the perchlorate anions....

  13. Organophotocatalysis: Insights into the Mechanistic Aspects of Thiourea-Mediated Intermolecular [2+2] Photocycloadditions.

    Science.gov (United States)

    Vallavoju, Nandini; Selvakumar, Sermadurai; Pemberton, Barry C; Jockusch, Steffen; Sibi, Mukund P; Sivaguru, Jayaraman

    2016-04-25

    Mechanistic investigations of the intermolecular [2+2] photocycloaddition of coumarin with tetramethylethylene mediated by thiourea catalysts reveal that the reaction is enabled by a combination of minimized aggregation, enhanced intersystem crossing, and altered excited-state lifetime(s). These results clarify how the excited-state reactivity can be manipulated through catalyst-substrate interactions and reveal a third mechanistic pathway for thiourea-mediated organo-photocatalysis. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. MC2-2, Calculation of Fast Neutron Spectra and Multigroup Cross-Sections from ENDF/B Data

    International Nuclear Information System (INIS)

    2001-01-01

    1 - Description of program or function: MC 2 -2 solves the neutron slowing-down equations using basic neutron data derived from ENDF/B data files to determine fundamental mode spectra for use in generating multigroup neutron cross sections. The current edition includes the ability to treat all ENDF/B-V and -VI data representations. It accommodates high-order P scattering representations and provides numerous capabilities such as isotope mixing, delayed neutron processing, free-format input, and flexibility in output data selection. This edition supersedes previous releases of the MC22 program and the earlier MC2 program. Improved physics algorithms and increased computational efficiency are incorporated. Input data files required by MC2-2 may be generated from ENDF/B data by the code ETOE-2. The hyper-fine-group integral transport theory module of MC2-2, RABANL, is an improved version of the RABBLE/RABID codes. Many of the MC2-2 modules are used in the SDX code. 2 - Methods: The extended transport P1, B1, consistent P1, and consistent B1 fundamental mode ultra-fine-group equations are solved using continuous slowing-down theory and multigroup methods. Fast and accurate resonance integral methods are used in the narrow resonance resolved and unresolved resonance treatments. A fundamental mode homogeneous unit cell calculation is performed using either a multigroup or a continuous slowing-down treatment. Multigroup neutron homogeneous cross sections are generated in an ISOTXS format for an arbitrary group structure. A hyper-fine-group integral transport slowing down calculation (RABANL) is available as an option. RABANL performs a homogeneous or heterogeneous (pin or slab) unit cell calculation over the resonance region (resolved and unresolved) and generates multigroup neutron cross sections in an ISOTXS format. Neutron cross sections are generated by RABANL for the homogeneous unit cell and for each heterogeneous region in the pin or slab unit cell calculation

  15. Interplay between intramolecular and intermolecular structures of 1,1,2,2-tetrachloro-1,2-difluoroethane

    OpenAIRE

    Rovira Esteva, M.; Murugan, N.A.; Pardo, L.C.; Busch, S.; Tamarit, J.Ll.; Pothoczki, Sz.; Cuello, G. J.; Bermejo, Francisco Javier

    2011-01-01

    We report on the interplay between the short-range order of molecules in the liquid phase of 1,1,2,2-tetrachloro-1,2-difluoroethane and the possible molecular conformations, trans and gauche. Two complementary approaches have been used to get a comprehensive picture: analysis of neutron-diffraction data by a Bayesian fit algorithm and a molecular dynamics simulation. The results of both show that the population of trans and gauche conformers in the liquid state can only correspond to the gauc...

  16. Remarks on surfaces with $c_1^2 =2\\chi -1$ having non-trivial 2-torsion

    OpenAIRE

    MURAKAMI, Masaaki

    2013-01-01

    We shall show that any complex minimal surface of general type with $c_1^2 = 2\\chi -1$ having non-trivial 2-torsion divisors, where $c_1^2$ and $\\chi$ are the first Chern number of a surface and the Euler characteristic of the structure sheaf respectively, has the Euler characteristic $\\chi$ not exceeding 4. Moreover, we shall give a complete description for the surfaces of the case $\\chi =4$, and prove that the coarse moduli space for surfaces of this case is a unirational variety of dimensi...

  17. Dimethyl 2,2′-[Carbonylbis(azanediyl](2S,2′S-bis[3-(4-hydroxyphenylpropanoate

    Directory of Open Access Journals (Sweden)

    Raffaella Mancuso

    2018-02-01

    Full Text Available The thus-far unknown ureic derivative dimethyl 2,2′-[carbonylbis(azanediyl](2S,2′S-bis[3-(4-hydroxyphenylpropanoate] has been efficiently synthesized by enantiospecific oxidative carbonylation of readily available l-tyrosine methyl ester, using a very simple catalytic system (PdI2 in conjunction with KI under relatively mild conditions (100 °C for 5 h in DME as the solvent and under 20 atm of a 4:1 mixture CO-air.

  18. Contribution to the study of disintegration schemes of "2"2"7Th and of "2"1"9Rn

    International Nuclear Information System (INIS)

    Cluzeau, Serge

    1965-01-01

    After some theoretical recalls on the unified model, notably for regions of complete layers, for regions far from these layers, and for intermediate regions, and on angular correlations (γ ray shower, α-γ ray shower), this research thesis reports the study of total angular moments and of nucleus parities for some excitation states, for some elements of the "2"2"7Ac family. For this purpose, an alpha-gamma and gamma-gamma coincidence spectrometer has been developed. The author reports the study of the spectrometer performance, and discusses experimental results [fr

  19. Synthesis of 1,3-diaminated stereotriads via rearrangement of 1,4-diazaspiro[2.2]pentanes.

    Science.gov (United States)

    Weatherly, Cale D; Rigoli, Jared W; Schomaker, Jennifer M

    2012-04-06

    The synthesis of 1,3-diaminated stereotriads via the bis-aziridination of allenes is reported. The reactive 1,4-diazaspiro[2.2]pentane intermediates undergo a mild Brønsted acid-promoted rearrangement to yield 1,3-diaminated ketones in good yields with excellent stereocontrol. Directed reduction of the ketone can be achieved to yield a C-N/C-O/C-N stereotriad in high dr. The ability to transfer the axial chirality of the substrates to the products allows for the facile preparation of enantioenriched stereotriads from allenes in two simple steps.

  20. Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2 '-bipyridine)(CN)4]2-

    DEFF Research Database (Denmark)

    Kjær, Kasper Skov; Kunnus, Kristjan; Harlang, Tobias C. B.

    2018-01-01

    The excited state dynamics of solvated [Fe(bpy)(CN)4]2-, where bpy = 2,2'-bipyridine, show significant sensitivity to the solvent Lewis acidity. Using a combination of optical absorption and X-ray emission transient spectroscopies, we have previously shown that the metal to ligand charge transfer...... the MLCT excited state relaxation dynamics of [Fe(bpy)(CN)4]2- in water, a strong Lewis acid solvent. The charge-transfer excited state is now found to decay in less than 100 femtoseconds, forming a quasi-stable metal centered excited state with a 13 picosecond lifetime. We find that this MC excited state...... developed for solar applications....

  1. Crystal and electronic structure of (N-CH3-2,2'-bipyridinium)(dodecahydro-dicarba-nido-undecaborate)

    International Nuclear Information System (INIS)

    Il'inchik, E.A.; Polyanskaya, T.M.; Volkov, V.V.

    2007-01-01

    The compound (N-CH 3 -2,2'-bipyridinium)(dodecahydro-dicarba-nido-undecaborate) is synthesized, and its structure is determined. The compound is characterized by IR, 11 B, 14 N NMR and X-ray photoelectron spectroscopy methods. Crystallographic data are: C 13 H 23 B 9 N 2 , M=304.62, monoclinic lattice, space group P2 1 /c, a=11.840(4), b=10.051(3), c=15.573(6) A, β=102.43(3) Deg, V=1809.8(10) A 3 , Z=4, d cal =1.118 g/cm 3 , R=0.0607 [ru

  2. PREVALENCE OF CELIAC DISEASE PREDISPOSING GENOTYPES, INCLUDING HLA-DQ2.2 VARIANT, IN BRAZILIAN CHILDREN.

    Science.gov (United States)

    Selleski, Nicole; Almeida, Lucas Malta; Almeida, Fernanda Coutinho de; Pratesi, Claudia Beatriz; Nóbrega, Yanna Karla de Medeiros; Gandolfi, Lenora

    2018-01-01

    Celiac disease is an autoimmune enteropathy triggered by the ingestion of gluten in genetically susceptible individuals. Almost all celiac patients carry immune recognition genes coding for HLA-DQ2.5 and DQ8 heterodimers. Over the last few years, great importance has been given to HLA-DQ2.2 as probable predisposing variant, although controversies still exist regarding its relevance. The aim of our study was to determine the possible existence of an association between HLA-DQ2.2 and celiac disease in Brazilian children by analyzing the prevalence of the predisposing variants for celiac disease in a representative group of children of a population in which this determination is still missing. HLA-DQ typing was performed in samples from a group of celiac (n=100) and non-celiac children (n=110). All samples were tested for the presence of the following variants: DQA1*05-DQB1*02 (DQ2.5), DQA1*03-DQB1*03:02 (DQ8) and DQA1*02:01-DQB1*02:02 (DQ2.2). Fisher`s exact test was used for statistical analysis. In the group of 100 celiac children, 78 (78%) were positive for DQ2, 13 (13 %) were DQ2/DQ8 and 6 (6%) were DQ8 positives. The HLA-DQ pattern in the 110 non-celiac children was as follows: positive for DQ2 in 33 (29.9%) samples, in 2 (1.8 %) was positive for DQ2/DQ8 and in 15 (13.6%) was positive for DQ8. We found significant differences between the distribution of some but not all of the analyzed alleles when comparing celiac and non-celiac children. The genotyping of celiac disease HLA-DQ predisposing alleles showed similarities with HLA-DQ patterns found in both European and non-European populations, which may be a reflection of the miscegenation, which gave origin to the current Brazilian population. No significant association was found between DQ2.2 variant and celiac disease in the studied population.

  3. PREVALENCE OF CELIAC DISEASE PREDISPOSING GENOTYPES, INCLUDING HLA-DQ2.2 VARIANT, IN BRAZILIAN CHILDREN

    Directory of Open Access Journals (Sweden)

    Nicole SELLESKI

    Full Text Available ABSTRACT BACKGROUND: Celiac disease is an autoimmune enteropathy triggered by the ingestion of gluten in genetically susceptible individuals. Almost all celiac patients carry immune recognition genes coding for HLA-DQ2.5 and DQ8 heterodimers. Over the last few years, great importance has been given to HLA-DQ2.2 as probable predisposing variant, although controversies still exist regarding its relevance. OBJECTIVE: The aim of our study was to determine the possible existence of an association between HLA-DQ2.2 and celiac disease in Brazilian children by analyzing the prevalence of the predisposing variants for celiac disease in a representative group of children of a population in which this determination is still missing. METHODS: HLA-DQ typing was performed in samples from a group of celiac (n=100 and non-celiac children (n=110. All samples were tested for the presence of the following variants: DQA1*05-DQB1*02 (DQ2.5, DQA1*03-DQB1*03:02 (DQ8 and DQA1*02:01-DQB1*02:02 (DQ2.2. Fisher`s exact test was used for statistical analysis. RESULTS: In the group of 100 celiac children, 78 (78% were positive for DQ2, 13 (13 % were DQ2/DQ8 and 6 (6% were DQ8 positives. The HLA-DQ pattern in the 110 non-celiac children was as follows: positive for DQ2 in 33 (29.9% samples, in 2 (1.8 % was positive for DQ2/DQ8 and in 15 (13.6% was positive for DQ8. We found significant differences between the distribution of some but not all of the analyzed alleles when comparing celiac and non-celiac children. CONCLUSION: The genotyping of celiac disease HLA-DQ predisposing alleles showed similarities with HLA-DQ patterns found in both European and non-European populations, which may be a reflection of the miscegenation, which gave origin to the current Brazilian population. No significant association was found between DQ2.2 variant and celiac disease in the studied population.

  4. Proton-transfer lasers based on solid copolymers of modified 2-(2'-hydroxyphenyl)benzimidazoles with methacrylate monomers

    Science.gov (United States)

    Costela, A.; García-Moreno, I.; Mallavia, Ricardo; Amat-Guerri, F.; Barroso, J.; Sastre, R.

    1998-06-01

    We report on the lasing action of two newly synthesized 2-(2'-hydroxyphenyl) benzimidazole derivatives copolymerized with methyl methacrylate. The laser samples were transversely pumped with a N 2 laser at 337 nm. The influence on the proton-transfer laser performance of the distance between the chromophore group and the polymeric main chain and of the rigidity of the polymeric host matrix, were studied. Significant increases in lasing efficiency and photostability are demonstrated for some of the new materials, as compared to those previously obtained with related proton-transfer dyes also covalently bound to methacrylic monomers.

  5. Synthesis and characterisation of dioxouranium(VI) and thorium(IV) complexes with 2(2'-pyridyl) 1-methyl benzimidazole

    International Nuclear Information System (INIS)

    Mohanty, R.R.; Rout, K.C.; Jena, S.; Dash, K.C.

    1995-01-01

    The ligand 2(2'-pyridyl) 1-methyl benzimidazole (MePB) forms a number of mononuclear complex of the type UO 2 (MePB)X 2 (X = Cl,I,NO 3 ,CH 3 COO,0.5 SO 4 ); UO 2 (MePB) 2 -(NCS) 2 and Th(MEPB) 2 X 4 (X = NO 3 ,NCS,I) and the biheteronuclear complex UO 2 (MePB)HgCl 4 . All these complexes were characterised by elemental analysis, conductivity measurements, thermogravimetric studies and IR, electronic, mass and NMR ( 1 H and 13 C) spectral studies. (author). 5 refs

  6. NUCLEAR 2010 international conference on sustainable development through nuclear research and education.Part 2/2

    International Nuclear Information System (INIS)

    Turcu, Ilie

    2010-01-01

    The Proceedings of the 'NUCLEAR 2010 international conference on sustainable development through nuclear research and education' held at INR-Pitesti on May, 26 - 28 2010 contain communications published in two parts. The second part contains 34 talks adressing themes of nuclear energy, in the following three sections: Section 2.1 - Radioactive waste management (13 papers); Section 2.2 and 3 - Radioprotection and air, water and soil protection (12 papers); Section 3.1 - Strategies in energy (3 papers); Section 3.2 - Education, continuous formation, and knowledge transfer (1 paper); Section 3. - International Partnership for a sustainable development (2 papers); Section 3.4 - Research infrastructure (3 papers)

  7. FOND-2.2-evaluated nuclear data library for constants sets generation at ABBN constants providing system

    International Nuclear Information System (INIS)

    Koscheev, V.N.; Nikolaev, M.N.; Tsiboulia, A.M.

    2002-01-01

    The library FOND-2.2 of evaluated nuclear data files, which was created at the ABBN laboratory of IPPE, is described. FOND-2 library is the basic nuclear data source used for the preparation of group data sets with different energy structures. ABBN-93.1 group data set was retrieved from the FOND-2 data library and nowadays it is widely used in different applications, in neutronics calculations of different nuclear energetic installations with different kinds of neutron spectra, in radiation shielding calculation, and so on. (author)

  8. High spectral resolution observations of the H2 2.12 micron line in Herbig-Haro objects

    International Nuclear Information System (INIS)

    Zinnecker, H.; Mundt, R.; Geballe, T.R.; Zealey, W.J.

    1989-01-01

    High-spectral-resolution Fabry-Perot observations of the H 2 2.12-micron line emissions of several Herbig-Haro (HH) objects are discussed. It is shown that H 2 emission by the shock heating of external molecular gas in the wings of the bow shock associated with the working surface of a high-velocity jet may occur for HH objects associated with the jet's end. The shock heating of external molecular gas entrained in the flow by internal shocks occurring in the jet itself and/or in its boundary layer may be the H 2 emission mechanism for HH objects observed along the flow axis. 59 refs

  9. Flow injection chemiluminescent determination of N-nitrosodimethylamine using photogenerated tris(2,2'-bipyridyl) ruthenium (III)

    International Nuclear Information System (INIS)

    Perez-Ruiz, Tomas; Martinez-Lozano, Carmen; Tomas, Virginia; Martin, Jesus

    2005-01-01

    A flow injection configuration was developed and evaluated for the chemiluminescent determination of N-nitrosodimethylamine. The method is based on the on-line cleavage of the N-NO bond of the nitrosamine by irradiation with ultraviolet light. The dimethylamine generated was subsequently reacted with tris(2,2'-bipyridyl) ruthenium (III), which was generated through the on-line photo-oxidation of tris(2,2'-bipyridyl) ruthenium (II) with peroxydisulfate. After selecting the best operating parameters, the emitted light showed a linear relationship with the concentration of N-nitrosodimethylamine between 1.5 and 148 ng ml -1 , with a detection limit of 0.29 ng ml -1 . The repeatability was 1.6% expressed as relative standard deviation (n = 10) and the reproducibility, studied on five consecutive days, was 3.2%. The sample throughput was 50 injections per hour. The method was applied to studying the recoveries of N-nitrosodimethylamine in water and different cured meat products

  10. Observational results of a multi-telescope campaign in search of interstellar urea [(NH2)2CO

    International Nuclear Information System (INIS)

    Remijan, Anthony J.; Snyder, Lewis E.; Kuo, Hsin-Lun; Looney, Leslie W.; Friedel, Douglas N.; McGuire, Brett A.; Golubiatnikov, G. Yu; Lovas, Frank J.; Ilyushin, V. V.; Alekseev, E. A.; Dyubko, S. F.; McCall, Benjamin J.; Hollis, Jan M.

    2014-01-01

    In this paper, we present the results of an observational search for gas phase urea [(NH 2 ) 2 CO] observed toward the Sgr B2(N-LMH) region. We show data covering urea transitions from ∼100 GHz to 250 GHz from five different observational facilities: the Berkeley-Illinois-Maryland-Association (BIMA) Array, the Combined Array for Research in Millimeter-wave Astronomy (CARMA), the NRAO 12 m telescope, the IRAM 30 m telescope, and the Swedish-ESO Submillimeter Telescope (SEST). The results show that the features ascribed to urea can be reproduced across the entire observed bandwidth and all facilities by best-fit column density, temperature, and source size parameters which vary by less than a factor of two between observations merely by adjusting for telescope-specific parameters. Interferometric observations show that the emission arising from these transitions is cospatial and compact, consistent with the derived source sizes and emission from a single species. Despite this evidence, the spectral complexity of both (NH 2 ) 2 CO and of Sgr B2(N) makes the definitive identification of this molecule challenging. We present observational spectra, laboratory data, and models, and discuss our results in the context of a possible molecular detection of urea.

  11. Dispersion interactions between neighboring Bi atoms in (BiH3 )2 and Te(BiR2 )2.

    Science.gov (United States)

    Haack, Rebekka; Schulz, Stephan; Jansen, Georg

    2018-03-13

    Triggered by the observation of a short Bi⋯Bi distance and a BiTeBi bond angle of only 86.6° in the crystal structure of bis(diethylbismuthanyl)tellurane quantum chemical computations on interactions between neighboring Bi atoms in Te(BiR 2 ) 2 molecules (R = H, Me, Et) and in (BiH 3 ) 2 were undertaken. Bi⋯Bi distances atoms were found to significantly shorten upon inclusion of the d shells of the heavy metal atoms into the electron correlation treatment, and it was confirmed that interaction energies from spin component-scaled second-order Møller-Plesset theory (SCS-MP2) agree well with coupled-cluster singles and doubles theory including perturbative triples (CCSD(T)). Density functional theory-based symmetry-adapted perturbation theory (DFT-SAPT) was used to study the anisotropy of the interplay of dispersion attraction and steric repulsion between the Bi atoms. Finally, geometries and relative stabilities of syn-syn and syn-anti conformers of Te(BiR 2 ) 2 (R = H, Me, Et) and interconversion barriers between them were computed. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  12. Modulation of the conductance of a 2,2′-bipyridine-functionalized peptidic ion channel by Ni2+

    Science.gov (United States)

    Pilz, Claudia S.

    2008-01-01

    An α-helical amphipathic peptide with the sequence H2N-(LSSLLSL)3-CONH2 was obtained by solid phase synthesis and a 2,2′-bipyridine was coupled to its N-terminus, which allows complexation of Ni2+. Complexation of the 2,2′-bipyridine residues was proven by UV/Vis spectroscopy. The peptide helices were inserted into lipid bilayers (nano black lipid membranes, nano-BLMs) that suspend the pores of porous alumina substrates with a pore diameter of 60 nm by applying a potential difference. From single channel recordings, we were able to distinguish four distinct conductance states, which we attribute to an increasing number of peptide helices participating in the conducting helix bundle. Addition of Ni2+ in micromolar concentrations altered the conductance behaviour of the formed ion channels in nano-BLMs considerably. The first two conductance states appear much more prominent demonstrating that the complexation of bipyridine by Ni2+ results in a considerable confinement of the observed multiple conductance states. However, the conductance levels were independent of the presence of Ni2+. Moreover, from a detailed analysis of the open lifetimes of the channels, we conclude that the complexation of Ni2+ diminishes the frequency of channel events with larger open times. Electronic supplementary material The online version of this article (doi:10.1007/s00249-008-0298-8) contains supplementary material, which is available to authorized users. PMID:18347789

  13. In vivo metabolism of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) in young whole pumpkin plant.

    Science.gov (United States)

    Sun, Jianteng; Liu, Jiyan; Yu, Miao; Wang, Chang; Sun, Yuzhen; Zhang, Aiqian; Wang, Thanh; Lei, Zhen; Jiang, Guibin

    2013-04-16

    Polybrominated diphenyl ethers (PBDEs) are widely distributed persistent organic pollutants. In vitro and in vivo research using various animal models have shown that PBDEs might be transformed to hydroxylated PBDEs, but there are few studies on in vivo metabolism of PBDEs by intact whole plants. In this research, pumpkin plants (Cucurbita maxima × C. moschata) were hydroponically exposed to 2,2',4,4'-tetrabromodiphenyl ether (BDE-47). A debromination product (BDE-28) and four hydroxylated metabolites (5-OH-BDE-47, 6-OH-BDE-47, 4'-OH-BDE-49, and 4-OH-BDE-42) were detected in different parts of the whole plant. In addition, 4-methoxylated-2,2',3,4'-tetraBDE (4-MeO-BDE-42) was observed as a methoxylation product. Root exudates in solution were found to play an important role in metabolizing BDE-47 to a specific OH-PBDE: 4'-OH-BDE-49. BDE-28 was found to translocate more easily and accumulate in shoots than BDE-47 due to the lower hydrophobicity and molecular weight. The concentration ratio between metabolites and parent compound BDE-47 was lower for OH-PBDEs than that for both BDE-28 and 4-MeO-BDE-42. The metabolism pathway of BDE-47 in young whole plants was proposed in this study.

  14. Upregulation of NKX2.2, a target of EWSR1/FLI1 fusion transcript, in primary renal Ewing sarcoma

    Directory of Open Access Journals (Sweden)

    Yoshinari Yamamoto

    2015-01-01

    Full Text Available Renal Ewing sarcoma (ES is a rare malignant tumor characterized by fusion of the EWSR1 gene with a member of the ETS family of oncogenes, arising at a specific chromosomal translocation. Diagnosis of ES can be problematic, especially from cytological or small bioptical specimens because the differential diagnoses comprising a diverse group of small round blue cell tumors (SRBCTs. We report a case of primary renal ES in a young male, which had a t(11;22 (q24;q12 chromosome translocation encoding a type2 EWSR1/FLI1 fusion transcript. The tumor cells showed diffuse cytoplasmic immunoreactivity for CD99 and diffuse nuclear immunoreactivity for NKX2.2, an important oncogenic transcriptional target of EWSR1/FLI1, not only in the histological, but also in the cytological specimens. From the results of this case, we speculate that NKX2.2, in combination with CD99, may be a useful immunocytochemical marker to distinguish renal ES from other SRBCTs of kidney.

  15. Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl acetamidocopper(II Complex

    Directory of Open Access Journals (Sweden)

    Hakan Arslan

    2011-01-01

    Full Text Available Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl acetamidocopper(II complex has been synthesized and characterized by elemental analysis and FT-IR spectroscopy. The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1, with a = 13.046(2 Å, b = 13.135(2 Å, c = 13.179(2 Å, α= 67.083(4°, β= 67.968(4°, γ = 84.756(4° and Dcalc =1.330 g/cm3 for Z = 2. The crystal structure confirms that the complex is a mononuclear copper(II complex and the 2,2-diphenyl-N-(di-n-propyl-carbamothioylacetamide ligand is a bidentate chelating ligand, coordinating to the copper atom through the thiocarbonyl and carbonyl groups. This coordination has a slightly distorted square-planar geometry (O1-Cu1-O2: 86.48(11°, O1-Cu1-S1: 93.85(9°, O2-Cu1-S2: 94.20(9° and S1-Cu1-S2: 91.21(4°. The title molecule shows a cis-arrangement and C–O, C–S and C–N bond lengths of the complex suggest considerable electronic delocalization in the chelate rings.

  16. Performance of JEF2.2 based continuous energy cross sections in predicting the multiplication factor of critical systems

    International Nuclear Information System (INIS)

    John, T.M.; de Leege, P.F.A.; Hoogenboom, J.E.

    1996-01-01

    The continuous energy representation of cross sections for neutronics calculations avoids the requirement of resonance self shielding and the assumptions about the neutron spectrum used for weighing cross sections, required in the preparation of a multigroup cross sections library. The cross sections library prepared for a particular temperature of the nuclide is valid irrespective of the environment of the nuclide and can be used in calculations for many types of reactors. It is comparatively easier to incorporate them in Monte Carlo simulation of neutron transport. The Monte Carlo code MCNP is capable of using a continuous energy representation of nuclear cross sections in simulation of neutron or photon transport. The ACER module of NJOY is able to generate the continuous energy cross section of any nuclide in a format that can be used by MCNP, from any evaluated data file in ENDF/B format. Continuous energy cross sections prepared from the evaluated data file JEF2.2 was used to analyse some standard critical benchmarks and also the critical configuration of the HOR, a 2 MW research reactor at Delft, the Netherlands. Results show that continuous energy cross sections prepared from JEF2.2 evaluated file predicts the multiplication factor of critical systems very close to unity. (author). 6 refs., 2 tabs., 1 fig

  17. Analysis of 2-(2-Phenylethylchromones by UPLC-ESI-QTOF-MS and Multivariate Statistical Methods in Wild and Cultivated Agarwood

    Directory of Open Access Journals (Sweden)

    Yuanbin Li

    2016-05-01

    Full Text Available Agarwood is the fragrant resinous material mainly formed from species of Aquilaria. 2-(2-phenylethylchromones, especially the highly oxidized 5,6,7,8-tetrahydro-2-(2-phenylethylchromones, are the main representative compounds from agarwood. It is important to determine whether agarwood in trade is from cultivated trees or natural trees in the Convention on the International Trade in Endangered Species (CITES. We characterized the 2-(2-phenylethylchromones in agarwood by ultra-performance liquid chromatography coupled with electrospray ionization mass spectrometry (UPLC–ESI-QTOF-MS and differentiated wild from cultivated agarwood by metabolomic analysis. A total of 141 chromones including 50 potentially new compounds were evaluated as belonging to four structural classes (unoxidized 2-(2-phenylethylchromones, 5,6,7,8-tetrahydro-2-(2-phenylethyl-chromones, bi-2-(2-phenylethylchromones, and tri-2-(2-phenylethylchromones. The metabolic difference between wild and cultivated agarwood was analyzed by component analysis (PCA and orthogonal partial least squares discriminant analysis (OPLS-DA. Fourteen markers of metabolisms in wild and cultivated agarwood were constructed (e.g., 6,7-dimethoxy-2-(2-phenylethylchromone, 6,8-dihydroxy-2-(2-phenylethylchromone, 6-methoxy-2-(2-phenylethylchromone, etc.. These results indicated that UPLC–ESI-QTOF-MS-based metabonomics analysis in agarwood may be useful for distinguishing wild agarwood from cultivated agarwood.

  18. Thermal expansion of Cr2xFe2-2xMo3O12, Al2xFe2-2xMo3O12 and Al2xCr2-2xMo3O12 solid solutions

    International Nuclear Information System (INIS)

    Ari, M.; Jardim, P.M.; Marinkovic, B.A.; Rizzo, F.; Ferreira, F.F.

    2008-01-01

    The transition temperature from monoclinic to orthorhombic and the thermal expansion of the orthorhombic phase were investigated for three systems of the family A 2 M 3 O 12 : Cr 2x Fe 2-2x Mo 3 O 12 , Al 2x Fe 2-2x Mo 3 O 12 and Al 2x Cr 2-2x Mo 3 O 12 . It was possible to obtain a single-phase solid solution in all studied samples (x=0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1). A linear relationship between the transition temperature and the fraction of A 3+ cations (x) was observed for each system. In all orthorhombic solid solutions studied here the observed thermal expansion was anisotropic. These anisotropic thermal expansion properties of crystallographic axes a, b and c result in a low positive or near-zero overall linear coefficient of thermal expansion (α l =α V /3). The relationship between the size of A 3+ cations in A 2 M 3 O 12 and the coefficient of thermal expansion is discussed. Near-zero thermal expansion of Cr 2 Mo 3 O 12 is explained by the behavior of Cr-O and Mo-O bond distances, Cr-Mo non-bond distances and Cr-O-Mo bond angles with increasing temperature, estimated by Rietveld analysis of synchrotron X-ray powder diffraction data. - Graphical abstract: In this figure, all published overall linear coefficients of thermal expansion for orthorhombic A 2 M 3 O 12 family obtained through diffraction methods as a function of A 3+ cation radii size, together with dilatometric results, are plotted. Our results indicate that Cr 2 Mo 3 O 12 does not exactly follow the established relationship

  19. Synthesis and reactivity towards diiodine of palladium(II) and platinum(II) complexes with non-cyclic and cyclic ligands (C6H3{CH=NR1R2}2-2,6)-. End-on diiodine-platinum(II) bonding in macrocyclic [PtI(C6H3{CH2NMe(CH2)7MeNCH2}-2,6)(h1-I2)

    NARCIS (Netherlands)

    Koten, G. van; Beek, J.A.M. van; Dekker, G.P.C.M.; Wissing, E.; Zoutberg, M.C.; Stam, C.H.

    1990-01-01

    Several new organo-platinum(II) and -palladium(II) complexes [MX(C{6}H{3}{CH{2}NR}1{R}2{}{2}-2, 6)] (X = halide, M = Pt, Pd; R}1{ = R}2{ = Et; R}2{ = Me, R}1{ = }t{Bu, M = Pt: R}2{ = Me, R}1{ = Ph) have been synthesized from [PtCl{2}(SEt{2}){2}] or [PdCl{2}(COD)] (COD = 1, 5-cyclooctadiene) by

  20. Excitation mechanisms of 2s1/2-2p3/2 and 2p1/2-2p3/2 transitions in U82+ through U89+

    International Nuclear Information System (INIS)

    Decaux, V.; Beiersdorfer, P.; Osterheld, A.

    1994-01-01

    A model based on detailed calculations of the electron-impact excitation of n = 2 electrons in the Li- to Ne-like uranium ions was developed to interpret and explain measurements on EBIT (Electron Beam Ion Trap). While only considering the direct excitation process provided a good model for the electric dipole (El) transitions, it was necessary for the magnetic dipole (Ml) spectrum to include various additional excitation processes in the model. In particular, the model was expanded to include electron-impact excitation of n = 3 levels followed by radiative cascades. Moreover, excitation by the ionization of 2s 1/2 , 2p 1/2 , and 2p 3/2 electrons and by radiative capture of beam electrons into excited levels was added. The new model demonstrates that the dipole-forbidden lines are almost exclusively produced by indirect excitation processes

  1. (3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olato-κ2O,Obis[2-(2-pyridylphenyl-κ2C1,N]iridium(III

    Directory of Open Access Journals (Sweden)

    Kaijun Luo

    2011-11-01

    Full Text Available The title compound, [Ir(C11H8N2(C17H19O2], has an octahedral coordination geometry around the IrIII atom, retaining the cis-C,C,trans–N,N chelate disposition of the two 2-phenylpyridine ligands. The chelate rings are nearly mutually perpendicular [the interplanar angles range from 85.48 (17 to 89.17 (19°]. The two 2-(2-pyridylphenyl ligands are approximately planar, with the plane of the phenyl ring being inclined to that of the pyridine ring by 2.3 (3 and 5.1 (3° in the two ligands. The interplanar angle between the phenyl ring in 3-benzoyl-camphor and the IrO2C3 chelate ring is 35.5 (2°.

  2. Solvent and electronic effects on kinetics of cyclization of thermolabile aryllithium reagents. A comparison between 1-bromo-2-(2-bromoethylbenzene and 4,5-dimethoxy-1-bromo-2-(2-bromoethylbenzene

    Directory of Open Access Journals (Sweden)

    David A. Hunt

    2009-05-01

    Full Text Available A dramatic solvent effect on the stability and kinetics of intramolecular cyclization is described for the aryllithium species generated from 2-bromo-4,5-dimethoxy-(2-bromoethylbenzene. The aryllithium generated by the halogen-metal exchange reaction with n-butyllithium, is stable for > 1h when generated at -95 to -100 oC in diethyl ether/hexane and can be trapped with electrophiles. However, when the reaction is conducted in a THF/hexane mixture, the intermediate undergoes instantaneous intramolecular cyclization to afford 4,5-dimethoxybenzocyclobutene. By comparison, the corresponding 1-lithio-2-(2-bromoethyl-benzene intermediate is stable for >1h in either THF/hexane or diethyl ether/hexane at -95 to -100 oC. These results indicate that substituent effects as well as the nature of aggregation of these intermediates play key roles in determining the reaction pathway of functionalized aryllithium intermediates when quenched with electrophiles.

  3. In situ Observation of Direct Electron Transfer Reaction of Cytochrome c Immobilized on ITO Electrode Modified with 11-{2-[2-(2-Methoxyethoxy)ethoxy]ethoxy}undecylphosphonic Acid Self-assembled Monolayer Film by Electrochemical Slab Optical Waveguide Spectroscopy.

    Science.gov (United States)

    Matsuda, Naoki; Okabe, Hirotaka; Omura, Ayako; Nakano, Miki; Miyake, Koji

    2017-01-01

    To immobilize cytochrome c (cyt.c) on an ITO electrode while keeping its direct electron transfer (DET) functionality, the ITO electrode surface was modified with 11-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}undecylphosphonic acid (CH 3 O (CH 2 CH 2 O) 3 C 11 H 22 PO(OH) 2 , M-EG 3 -UPA) self-assembled monolayer (SAM) film. After a 100-times washing process to exchange a phosphate buffer saline solution surrounding cyt.c and ITO electrode to a fresh one, an in situ observation of visible absorption spectral change with slab optical waveguide (SOWG) spectroscopy showed that 87.7% of the cyt.c adsorbed on the M-EG 3 -UPA modified ITO electrode remained on the ITO electrode. The SOWG absorption spectra corresponding to oxidized and reduced cyt.c were observed with setting the ITO electrode potential at 0.3 and -0.3 V vs. Ag/AgCl, respectively, while probing the DET reaction between cyt.c and ITO electrode occurred. The amount of cyt.c was evaluated to be about 19.4% of a monolayer coverage based on the coulomb amount in oxidation and reduction peaks on cyclic voltammetry (CV) data. The CV peak current maintained to be 83.4% compared with the initial value for a M-EG 3 -UPA modified ITO electrode after 60 min continuous scan with 0.1 V/s between 0.3 and -0.3 V vs. Ag/AgCl.

  4. The selective alpha7 nicotinic acetylcholine receptor agonist PNU-282987 [N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-4-chlorobenzamide hydrochloride] enhances GABAergic synaptic activity in brain slices and restores auditory gating deficits in anesthetized rats.

    Science.gov (United States)

    Hajós, M; Hurst, R S; Hoffmann, W E; Krause, M; Wall, T M; Higdon, N R; Groppi, V E

    2005-03-01

    Schizophrenic patients are thought to have an impaired ability to process sensory information. This deficit leads to disrupted auditory gating measured electrophysiologically as a reduced suppression of the second of paired auditoryevoked responses (P50) and is proposed to be associated with decreased function and/or expression of the homomeric alpha7 nicotinic acetylcholine receptor (nAChR). Here, we provide evidence that N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-4-chlorobenzamide hydrochloride (PNU-282987), a novel selective agonist of the alpha7 nAChR, evoked whole-cell currents from cultured rat hippocampal neurons that were sensitive to the selective alpha7 nAChR antagonist methyllycaconitine (MLA) and enhanced GABAergic synaptic activity when applied to hippocampal slices. Amphetamine-induced sensory gating deficit, determined by auditory-evoked potentials in hippocampal CA3 region, was restored by systemic administration of PNU-282987 in chloral hydrate-anesthetized rats. Auditory gating of rat reticular thalamic neurons was also disrupted by amphetamine; however, PNU-282987 normalized gating deficit only in a subset of tested neurons (6 of 11). Furthermore, PNU-282987 improved the inherent hippocampal gating deficit occurring in a subpopulation of anesthetized rats, and enhanced amphetamine-induced hippocampal oscillation. We propose that the alpha7 nAChR agonist PNU-282987, via modulating/enhancing hippocampal GABAergic neurotransmission, improves auditory gating and enhances hippocampal oscillatory activity. These results provide further support for the concept that drugs that selectively activate alpha7 nAChRs may offer a novel, potential pharmacotherapy in treatment of schizophrenia.

  5. Effect of (R)-2-(2-aminothiazol-4-yl)-4'-{2-[(2-hydroxy-2-phenylethyl)amino]ethyl} acetanilide (YM178), a novel selective beta3-adrenoceptor agonist, on bladder function.

    Science.gov (United States)

    Takasu, Toshiyuki; Ukai, Masashi; Sato, Shuichi; Matsui, Tetsuo; Nagase, Itsuro; Maruyama, Tatsuya; Sasamata, Masao; Miyata, Keiji; Uchida, Hisashi; Yamaguchi, Osamu

    2007-05-01

    We evaluated the pharmacological characteristics of (R)-2-(2-aminothiazol-4-yl)-4'-{2-[(2-hydroxy-2-phenylethyl)amino]-ethyl} acetanilide (YM178). YM178 increased cyclic AMP accumulation in Chinese hamster ovary (CHO) cells expressing human beta3-adrenoceptor (AR). The half-maximal effective concentration (EC50) value was 22.4 nM. EC50 values of YM178 for human beta1- and beta2-ARs were 10,000 nM or more, respectively. The ratio of intrinsic activities of YM178 versus maximal response induced by isoproterenol (nonselective beta-AR agonist) was 0.8 for human beta3-ARs, 0.1 for human beta1-ARs, and 0.1 for human beta2-ARs. The relaxant effects of YM178 were evaluated in rats and humans bladder strips precontracted with carbachol (CCh) and compared with those of isoproterenol and 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one hydrochloride (CGP-12177A) (beta3-AR agonist). EC50 values of YM178 and isoproterenol in rat bladder strips precontracted with 10(-6) M CCh were 5.1 and 1.4 microM, respectively, whereas those in human bladder strips precontracted with 10(-7) M CCh were 0.78 and 0.28 microM, respectively. In in vivo study, YM178 at a dose of 3 mg/kg i.v. decreased the frequency of rhythmic bladder contraction induced by intravesical filling with saline without suppressing its amplitude in anesthetized rats. These findings suggest the suitability of YM178 as a therapeutic drug for the treatment of symptoms of overactive bladder such as urinary frequency, urgency, and urge incontinence.

  6. Improved high-voltage performance of LiNi1/3Co1/3Mn1/3O2 cathode with Tris(2,2,2-trifluoroethyl) phosphite as electrolyte additive

    International Nuclear Information System (INIS)

    Wang, Long; Ma, Yulin; Li, Qin; Cui, Yingzhi; Wang, Panpan; Cheng, Xinqun; Zuo, Pengjian; Du, Chunyu; Gao, Yunzhi

    2017-01-01

    Tris(2,2,2-trifluoroethyl) phosphite (TTFEP) is investigated as an electrolyte additive to improve the electrochemical performance of LiNi 1/3 Co 1/3 Mn 1/3 O 2 cathode at high operating voltage (4.6 V). Charge/discharge measurements demonstrate that TTFEP is effective to improve the cycling stability and rate capability of LiNi 1/3 Co 1/3 Mn 1/3 O 2 cathode. The capacity retention of LiNi 1/3 Co 1/3 Mn 1/3 O 2 /Li cell with 1% TTFEP-containing electrolyte reaches up to 85.4% after 100 cycles at 0.5C (1C = 160 mA g −1 ), while that of the cell with the baseline electrolyte (1 M LiPF 6 in EC/DMC electrolyte) only remains 74.2%. Moreover, the discharge capacity of the cathode with 1% TTFEP-containing electrolyte could maintain around 112.0 mAh g −1 at 4C. Based on the characterization of electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), a protective interphase film formed on the cathode surface can be found due to the preferential oxidation of TTFEP, which inhibits the electrolyte decomposition and mitigates the cathode structural destruction, leading to the improved electrochemical performance of LiNi 1/3 Co 1/3 Mn 1/3 O 2 cathode at high voltage.

  7. Synthesis, linear and nonlinear optical properties of phosphonato-substituted bithiophenes derived from 2,2'-biphenol.

    Science.gov (United States)

    Freeman, Jason L; Zhao, Qun; Zhang, Yuanli; Wang, Jianwei; Lawson, Christopher M; Gray, Gary M

    2013-10-21

    Two new series of phosphonato-substituted bithiophenes, BpP(X)(C4H2S)2H and BpP(X)(C4H2S)2P(X)Bp (Bp = 2,2'-C12H8O2, X = O, S, Se), have been synthesized and characterized using linear absorption and emission spectra, and third-order nonlinear absorption measurements at 430 nm with 27 ps laser pulses. The compounds were synthesized in three steps: (1) reacting lithiated bithiophene with (Et2N)2PCl; (2) reacting the product from the first step with biphenol; and (3) reacting the product from the second step with the appropriate chalcogen. The X-ray crystal structures of two of the compounds, BpP(O)(C4H2S)2P(O)Bp and BpP(Se)(C4H2S)2P(Se)Bp, are reported and show a number of intermolecular π-π interactions. The linear absorption spectra, emission spectra, and emission quantum yields show distinct trends with respect to the chalcogen and the number of phosphorus substituents attached to the 2,2'-bithiophene ring. The compounds show emission maxima at wavelengths ranging from 380-400 nm and, BpP(S)(C4H2S)2H shows a 23-fold increase in fluorescence quantum yield relative to that of 2,2'-bithiophene. Fluorescence lifetimes and radiative and non-radiative decay rate constants for the first singlet excited state have been extracted from the quantum yields using time-dependent DFT calculations. Nonlinear transmission measurements indicate that all of the compounds show nonlinear absorption at 430 nm with 27 ps laser pulses in spite of their low solubilities. Notably, the nonlinear absorption threshold of a 0.16 mol L(-1) CH2Cl2 solution of BpP(Se)(C4H2S)2H is 0.9 J cm(-2). The excellent emission quantum yields and good nonlinear absorptions make these compounds promising candidates for optical power limiting applications and as host materials for violet-blue organic light emitting diodes.

  8. 2,2',3,3',6,6'-Hexachlorobiphenyl (PCB 136) is Enantioselectively Oxidized to Hydroxylated Metabolites by Rat Liver Microsomes

    Science.gov (United States)

    Wu, Xianai; Pramanik, Ananya; Duffel, Michael W.; Hrycay, Eugene G.; Bandiera, Stelvio M.; Lehmler, Hans-Joachim; Kania-Korwel, Izabela

    2011-01-01

    Developmental exposure to multiple-ortho substituted polychlorinated biphenyls (PCBs) causes adverse neurodevelopmental outcomes in laboratory animals and humans by mechanisms involving the sensitization of Ryanodine receptors (RyRs). In the case of PCB 136, the sensitization of RyR is enantiospecific, with only (-)-PCB 136 being active. However, the role of enantioselective metabolism in the developmental neurotoxicity of PCB 136 is poorly understood. The present study employed hepatic microsomes from phenobarbital (PB-), dexamethasone (DEX-) and corn oil (VEH-)treated male Sprague-Dawley rats to investigate the hypothesis that PCB 136 atropisomers are enantioselectively metabolized by P450 enzymes to potentially neurotoxic, hydroxylated PCB 136 metabolites. The results demonstrated the time- and isoform-dependent formation of three metabolites, with 5-OH-PCB 136 (2,2',3,3',6,6'-hexachlorobiphenyl-5-ol) being the major metabolite. The formation of 5-OH-PCB 136 increased with the activity of P450 2B enzymes in the microsomal preparation, which is consistent with PCB 136 metabolism by rat P450 2B1. The minor metabolite 4-OH-PCB 136 (2,2',3,3',6,6'-hexachlorobiphenyl-4-ol) was produced by a currently unidentified P450 enzymes. An enantiomeric enrichment of (-)-PCB 136 was observed in microsomal incubations due to the preferential metabolism of (+)-PCB 136 to the corresponding 5-OH-PCB 136 (2,2',3,3',6,6'-hexachlorobiphenyl-5-ol) atropisomer. 4-OH-PCB 136 displayed an enrichment of the atropisomer formed from (-)-PCB 136; however, the enrichment of this metabolite atropisomer didn't affect the enantiomeric enrichment of the parent PCB because 4-OH-PCB 136 is only a minor metabolite. Although the formation of 5- and 4-OH-PCB 136 atropisomers increased with time, the enantioselective formation of the OH-PCB metabolites resulted in constant enantiomeric enrichment, especially at later incubation times. These observations not only demonstrate that the chiral signatures of

  9. Weak D Type 4.2.2 (DAR1.2) in an African child: Serology and molecular characterization.

    Science.gov (United States)

    Orlando, Nicoletta; Putzulu, Rossana; Massini, Giuseppina; Scavone, Fernando; Piccirillo, Nicola; Maresca, Maddalena; Zini, Gina; Teofili, Luciana

    2015-04-01

    The weak D phenotype is represented by a group of RHD genotypes that code for alterated RhD proteins associated with a reduced RhD expression on red blood cell. By routine serology, some partial D variants are likely to be missed. In this report we describe the case of a three-year-old Black African child with a "unclear" reaction with monoclonal anti-D. We analyzed the blood sample of the child with different methods to conclude that it is a case of DAR 1.2 (weak D 4.2.2) and that it must be transfused with D negative erithrocytes. Copyright © 2014 Elsevier Ltd. All rights reserved.

  10. Comparison of yield and decay data among JNDC2, ENDF/B-VI and JEF2.2

    Energy Technology Data Exchange (ETDEWEB)

    Oyamatsu, Kazuhiro; Sagisaka, Mitsuyuki; Miyazono, Toshimitsu [Nagoya Univ. (Japan)

    1997-03-01

    Fission yields and decay data for fission product summation calculations are compared among JNDC2 and ENDF/B-VI and JEF2.2. Special attention is paid to the summation calculation of the total delayed neutrons per fission because it requires the data of the most unstable nuclides among all fission products. The cumulative fission yields of delayed neutron precursors are found to be appreciably different among the libraries even though values of the independent fission yields and the total number of delayed neutrons are chosen to be in fair agreement with each other. This suggests that there still exist large uncertainties in delayed neutron emission probabilities (or decay chains) for the precursors far from the stability line. (author)

  11. Mutagenic activity of 2-(2',4'-diaminophenoxy)ethanol in strains TA1538 and TA98 of Salmonella typhimurium.

    Science.gov (United States)

    Mohn, G; Bouter, S; de Knijff, P

    1982-12-01

    The mutagenicity of 2-(2',4'-diaminophenoxy)ethanol (2,4-DAPE) was compared with that of 2,4-diaminoanisole (2,4-DAA), a chemically related compound previously used in hair-dye formulations. Both chemicals were tested in standard procedures with the Salmonella/microsome mutagenicity test as described by Ames and colleagues. In several experiments, which extended over a total period of 2 years, 2,4-DAA exhibited definite, but variable mutagenicity toward strain TA1538 when S9 preparations of rat liver induced with Aroclor 1254 were present in the incubation mixtures. The compound 2,4-DAPE did not exhibit detectable mutagenic activity when tested concomitantly under the same experimental conditions. We conclude that 2,4-DAPE is not mutagenic for Salmonella under conditions of the standard mammalian microsome assay with strain TA1538 and TA98 as indicators.

  12. Potassium (2,2'-bipyridine-κN,N')bis-(carbonato-κO,O')cobaltate(III) dihydrate.

    Science.gov (United States)

    Wang, Jian-Fei; Lin, Jian-Li

    2010-09-30

    In the title compound, K[Co(CO(3))(2)(C(10)H(8)N(2))]·2H(2)O, the Co(III) atom is coordinated by two bipyridine N atoms and four O atoms from two bidentate chelating carbonate anions, and thus adopts a distorted octa-hedral N(2)O(4) environment. The [Co(bipy)(CO(3))(2)](-) (bipy is 2,2'-bipyridine) -units are stacked along [100] via π-π stacking inter-actions, with inter-planar distances between the bipyridine rings of 3.36 (4) and 3.44 (6) Å, forming chains. Classical O-H⋯O hydrogen-bonding inter-actions link the chains, forming channels along (100) in which the K(+) ions reside and leading to a three-dimensional supra-molecular architecture.

  13. Interplay between intramolecular and intermolecular structures of 1,1,2,2-tetrachloro-1,2-difluoroethane

    Science.gov (United States)

    Rovira-Esteva, M.; Murugan, N. A.; Pardo, L. C.; Busch, S.; Tamarit, J. Ll.; Pothoczki, Sz.; Cuello, G. J.; Bermejo, F. J.

    2011-08-01

    We report on the interplay between the short-range order of molecules in the liquid phase of 1,1,2,2-tetrachloro-1,2-difluoroethane and the possible molecular conformations, trans and gauche. Two complementary approaches have been used to get a comprehensive picture: analysis of neutron-diffraction data by a Bayesian fit algorithm and a molecular dynamics simulation. The results of both show that the population of trans and gauche conformers in the liquid state can only correspond to the gauche conformer being more stable than the trans conformer. Distinct conformer geometries induce distinct molecular short-range orders around them, suggesting that a deep intra- and intermolecular interaction coupling is energetically favoring one of the conformers by reducing the total molecular free energy.

  14. 1,1′-Binaphthyl-2,2′-dicarboxylic acid–urea (1/1

    Directory of Open Access Journals (Sweden)

    Edwin Weber

    2008-10-01

    Full Text Available In the title co-crystal, C22H14O4·CH4N2O, the 1,1′-binaphthyl-2,2′-dicarboxylic acid (BNDA and urea molecules are connected via a system of hydrogen bonds into a chiral two-dimensional polymeric structure parallel to the (001 plane. As the crystal is centrosymmetric, it consists of alternately stacked BNDA–urea layers of opposite chirality. The urea H atoms trans to the C=O group are bonded in a chelating mode [R12(6] to the carbonyl O atom from one of the carboxylic acid groups which, in turn, acts as the donor of an O—H...O hydrogen bond to another urea molecule. The [010] chains thus formed are further connected via an R22(8 hydrogen-bond motif formed between urea and the second carboxylic acid group of BNDA.

  15. 2,2',3,4-Tetrahydroxy-3'-sulpho-5'-nitroazobenzene for spectrophotometric determination of aluminium in pharmaceutical suspensions and granite

    International Nuclear Information System (INIS)

    Guray, Tufan; Uysal, Uelkue Dilek; Gedikbey, Tevfik; Huseyinli, A. Ali

    2005-01-01

    A selective and sensitive new spectrophotometric method has been developed for the determination of aluminium. 2,2',3,4-Tetrahydroxy-3'-sulpho-5'-nitroazobenzene (tetrahydroxyazon SN) formed an orange chelate with aluminium at pH 4. Molar absorptivity of the complex in 1:2 is 5.46 x 10 4 l mol -1 cm -1 at 479 nm. The method obeys Beer's law in the range of 0.005-1.079 μg ml -1 . The determination of aluminium is not interfered with by earth alkaline, alkaline elements, rare earth elements, halides, phosphates, sulphates, urea, ascorbic acid, Sn 2+ , Sr 2+ , Cr 3+ , Cd 2+ , Hg 2+ , or Mn 2+ . The proposed method is rapid and simple, and it has been successfully applied to the determination of aluminium in certified pharmaceutical suspension and granite

  16. Effective two-body equations for the four-body problem with exact treatment of (2+2)-subsystem contributions

    International Nuclear Information System (INIS)

    Haberzettl, H.; Sandhas, W.

    1981-01-01

    Effective two-body equations for the four-body problem are derived within the general N-body theory of Alt, Grassberger, and Sandhas. In contrast to usual treatments, the final expressions do not require separable (2+2) subamplitudes but incorporate these exactly. All four-body amplitudes can be calculated from the solution of a single integral equation for the reaction (3+1)→(3+1). With single-term separable approximations for the two-particle and the (3+1) subsystem amplitudes the driving terms of the final equations are seen to reduce to those of the field-theoretical model by Fonseca and Shanley. Since our results are based on an exact and complete N-body theory, the investigation of subsystem reaction mechanisms is facilitated. As a consequence, we are led to a three-particle propagator which has the right pole behavior and includes exchange effects

  17. Synthesis of heterocyclic chalcone derivatives and their radical scavenging ability toward 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radicals

    International Nuclear Information System (INIS)

    Hwang, Kijun; Kim, Hoseok; Kim, Beomtae; Han, Incheol

    2012-01-01

    A series of heterocyclic chalcone derivatives bearing heterocycles such as thiophene or furan ring as an isostere of benzene ring were carefully prepared, and the influence of heterocycles on 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activities was systematically investigated. Structure-activity relationships (SAR) analysis showed that the activities of thiophene ring-containing chalcones were higher than those of furan ring containing chalcones, and the presence of methyl substituent of heterocyclic ring distinctly affected the activities compared with non-substituted heterocycles in an opposite manner, with the 4'-methyl group of thiophene ring increasing activity and the 3'-methyl group of the furan ring decreasing activity. The distinct isosteric effect of heterocycles (i.e., thiophene or furan ring) on radical scavenging activities of heterocyclic chalcones was distinctly demonstrated in our work

  18. Bis[4′-(4-cyanophenyl-2,2′:6′,2′′-terpyridine]cobalt(II dichloride

    Directory of Open Access Journals (Sweden)

    Kun Qian

    2009-11-01

    Full Text Available The title complex, [Co(C22H14N42]Cl2, has been synthesized by a solvothermal reaction of the 4′-(4-cyanophenyl-2,2′:6′,2′′-terpyridine ligand with CoCl2·6H2O. The cobalt(II ion is six-coordinated by two tridentate ligands in a distorted octahedral geometry. The benzene rings form dihedral angles of 30.02 (7 and 30.26 (7° with the mean planes of the terpyridine ring systems. The chloride anions are statistically disordered over two positions with refined site occupancies of 0.601 (2 and 0.399 (2.

  19. The 0.5 micrometer-2.2 micrometer Scattered Light Spectrum of the Disk Around TW Hya

    Science.gov (United States)

    Debes, John H.; Jang-Condell, Hannah; Weinberger, Alycia J.; Roberg, Aki; Schneider, Glenn

    2012-01-01

    We present a 0.5-2.2micron scattered light spectrum of the circumstellar disk around TW Hya from a combination of spatially resolved HST STIS spectroscopy and NICMOS coronagraphic images of the disk. \\Ve investigate the morphology at the disk at distances> 40 AU over this wide range of wavelengths. We measure the surface brightness, azimuthal symmetry, and spectral character of the disk as a function of radius. We find that the scattering efficiency of the dust is largely neutral to blue over the observed wavelengths. We find a good fit to the data over a wide range of distances from the star if we use a model disk with a partial gap of 30% depth at 80 AU and with steep disk truncation exterior to 100 AU. If the gap is caused by a planetary companion in the process of accreting disk gas, it must be less than 20 Solar mass.

  20. Synthesis and substitution reactions of palladium(II) complexes with 2,2'-Bipyridine and 1,10-Phenanthroline

    International Nuclear Information System (INIS)

    Zaghal, M. H.; Al-Lawatia, S.

    1996-01-01

    The complexes cis-[Pd (Nn)CI 2 ] [Nn=2,2'-bipyridine (b py) and 1,10-phenanthroline (phen)] have been prepared via a new method by reacting the benzonitrile complex cis-[Pd(Ph CN) 2 CI 2 ] with the ligands. This method gives the products rapidly, in a pure state and in high yields. The substitution reactions of cis-[Pd(Nn)CI 2 ] (Nn=b py and phen) with Br - and I - have been attempted. The complexes cis-[Pd(Nn)X 2 ] (Nn=b py or phen; X Br, I) have been isolated. The products have been characterized by elemental analysis, conductivity measurements, and infrared, electronics absorption and 1 H NMR spectra. (authors). 26 refs., 1 tab