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Sample records for title compound conh36mncn6

  1. NMR Spectroscopic Characterization of Methylcobalt(III) Compounds with Classical Ligands. Crystal Structures of [Co(NH(3))(5)(CH(3))]S(2)O(6), trans-[Co(en)(2)(NH(3))(CH(3))]S(2)O(6) (en = 1,2-Ethanediamine), and [Co(NH(3))(6)]-mer,trans-[Co(NO(2))(3)(NH(

    DEFF Research Database (Denmark)

    Kofod, Pauli; Harris, Pernille; Larsen, Sine

    1997-01-01

    magnetic resonance spectroscopy and by absorption spectroscopy. Single-crystal X-ray structure determinations at 122.0(5) K were performed on [Co(NH(3))(5)(CH(3))]S(2)O(6) (1), trans-[Co(en)(2)(NH(3))(CH(3))]S(2)O(6) (2), and [Co(NH(3))(6)]-mer,trans-[Co(NO(2))(3)(NH(3))(2)(CH(3))](2)-trans-[Co(NO(2...

  2. Dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate.

    Science.gov (United States)

    Rao, Guo-Wu; Hu, Wei-Xiao

    2003-05-01

    The title compound, C(22)H(24)N(4)O(4), was prepared from propyl chloroformate and 3,6-diphenyl-1,2-dihydro-s-tetrazine. This reaction yields the title compound rather than dipropyl 3,6-diphenyl-1,4-dihydro-s-tetrazine-1,4-dicarboxylate. The 2,3-diazabutadiene group in the central six-membered ring is not planar; the C=N double-bond length is 1.285 (2) A, and the average N-N single-bond length is 1.401 (3) A, indicating a lack of conjugation. The ring has a twist conformation, in which adjacent N atoms lie +/- 0.3268 (17) A from the plane of the ring. The molecule has twofold crystallographic symmetry.

  3. 14N NMR of amminecobalt(III) compounds

    DEFF Research Database (Denmark)

    Kofod, Pauli

    2003-01-01

    Directly detected ammine 14N NMR chemical shifts of 20 amminecobalt(III) compounds are reported. The coordination shifts, δCS = δcoord − δfree, are in all cases negative and range from −4.4 ppm for the trans ammine ligand in [Co(NH3)5(CH3)]2+ to −73.6 ppm for the trans ammine ligand in [Co(NH3)5(F...

  4. 3,6-Dibromo-9-(4-tert-butylbenzyl-9H-carbazole

    Directory of Open Access Journals (Sweden)

    Duan-Lin Cao

    2008-08-01

    Full Text Available In the title compound, C23H21Br2N, which was synthesized by the N-alkylation of 1-tert-butyl-4-(chloromethylbenzene with 3,6-dibromo-9H-carbazole, the asymmetric unit contains two unique molecules. Each carbazole ring system is essentially planar, with mean deviations of 0.0077 and 0.0089 Å for the two molecules. The carbazole planes make dihedral angles of 78.9 (2 and 81.8 (2° with the planes of the respective benzene rings.

  5. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-(6-benzoyl-2-oxobenzo[ d]oxazol-3(2 H)-yl)propanoic acid

    Science.gov (United States)

    Arslan, Hakan; Algül, Öztekin; Önkol, Tijen

    2008-08-01

    The molecular structure, vibrational frequencies and infrared intensities of the 3-(6-benzoyl-2-oxobenzo[ d]oxazol-3(2 H)-yl)propanoic acid were calculated by the HF and DFT methods using 6-31G(d) basis set. The FT-infrared spectra have been measured for the title compound in the solid state. We obtained 11 stable conformers for the title compound, however the Conformer 1 is approximately 3.88 kcal/mol more stable than the Conformer 11. The comparison of the theoretical and experimental geometry of the title compound shows that the X-ray parameters fairly well reproduce the geometry of the Conformer 1. The harmonic vibrations computed of this compound by the B3LYP/6-31G(d) method are in a good agreement with the observed IR spectral data. Theoretical vibrational spectra of the title compound were interpreted by means of PEDs using VEDA 4 program.

  6. X-Ray K Absorption Edge Structures of Ligand Chlorine Ion in Some Cobalt Coordination Compounds

    Science.gov (United States)

    Obashi, Masayoshi; Matsukawa, Tokuo

    1983-03-01

    The X-ray Cl K absorption spectra in [Co(NH3)6]Cl3, [Co(NH3)5Cl]Cl2, trans-[Co(NH3)4Cl2]Cl and Cs2[CoCl4] are measured with a high-resolution vacuum two-crystal spectrometer. The spectra, except that of [Co(NH3)6]Cl3, show an extremely narrow absorption line at the absorption threshold. The result is interpreted on the basis of molecular orbital theory and it is proposed that the intensity of these narrow absorption lines depends on the chemical state between the cobalt and ligand chlorine ions. The narrow absorption line may well be attributed to transitions of the Cl 1s electron into the eg* antibonding orbitals having partially the 3p character of chlorine in [Co(NH3)5Cl]Cl2 and trans-[Co(NH3)4Cl2]Cl. In Cs2[CoCl4] it may be ascribed to the Cl 1s-t2* transitions.

  7. [Co(NH3)6]3[Cu4(OH)(CO3)8].2H2O--a new carbonato-copper(II) anion stabilized by extensive hydrogen bonding.

    Science.gov (United States)

    Abrahams, Brendan F; Haywood, Marissa G; Robson, Richard

    2004-04-21

    Addition of Co(NH3)6(3+) to aqueous solutions of Cu(II) in excess carbonate promotes the assembly of a new highly charged carbonato-copper(II) anion, [Cu4(OH)(CO3)8](9-), which contains an unusual mu4 hydroxo-bridged square Cu4 arrangement, stabilised in the crystal by no less than forty hydrogen bonds (< 3 Angstrom) to hexammine cations.

  8. Competition Between Co(NH3)63+ and Inner Sphere Mg2+ Ions in the HDV Ribozyme

    Science.gov (United States)

    Gong, Bo; Chen, Jui-Hui; Bevilacqua, Philip C.; Golden, Barbara L.; Carey, Paul R.

    2009-01-01

    Divalent cations play critical structural and functional roles in many RNAs. While the hepatitis delta virus (HDV) ribozyme can undergo self-cleavage in the presence of molar concentrations of monovalent cations, divalent cations such as Mg2+ are required for efficient catalysis under physiological conditions. Moreover, the cleavage reaction can be inhibited with Co(NH3)63+, an analog of Mg(H2O)62+. Here, the binding of Mg2+ and Co(NH3)63+ to the HDV ribozyme are studied by Raman microscopic analysis of crystals. Raman difference spectra acquired at different metal ion conditions reveal changes in the ribozyme. When Mg2+ alone is introduced to the ribozyme, inner sphere coordination of Mg(H2O)x2+ (x≤5) to non-bridging PO2− oxygen, and changes in base stretches and phosphodiester group conformation are observed. In addition, binding of Mg2+ induces deprotonation of a cytosine assigned to the general acid C75, consistent with solution studies. When Co(NH3)63+ alone is introduced, deprotonation of C75 is again observed, as are distinctive changes in base vibrational ring modes and phosphodiester backbone conformation. In contrast to Mg2+ binding, Co(NH3)63+ binding does not perturb PO2− group vibrations, consistent with its ability to make only outer sphere contacts. Surprisingly, competitive binding studies reveal that Co(NH3)63+ ions displace some inner sphere-coordinated magnesium species, including ions coordinated to PO2− groups or the N7 of a guanine, likely G1 at the active site. These observations contrast with the tenet that Co(NH3)63+ ions displace only outer sphere magnesium ions. Overall, our data support two classes of inner sphere Mg2+-PO2− binding sites: sites that Co(NH3)63+ can displace, and others it cannot. PMID:19888753

  9. A convenient preparation of 9 H -carbazole-3,6-dicarbonitrile and 9 H -carbazole-3,6-dicarboxylic acid

    KAUST Repository

    Weselinski, Lukasz Jan

    2014-01-23

    A catalytic, high yielding and scalable procedure for the synthesis of 9H-carbazole-3,6-dicarbonitrile has been developed. Subsequent hydrolysis of the dinitrile in the presence of a catalytic copper species (i.e., CuI) yields 9H-carbazole-3,6-dicarboxylic acid. Both compounds are versatile and fine-tunable organic building blocks and therefore offer potential in material science, medicinal and supramolecular chemistry. © Georg Thieme Verlag Stuttgart New York.

  10. Nuclear Overhauser effect studies of the conformation of Co(NH3)4ATP bound to kidney Na,K-ATPase

    International Nuclear Information System (INIS)

    Stewart, J.M.; Jorgensen, P.L.; Grisham, C.M.

    1989-01-01

    Transferred nuclear Overhauser effect measurements (in the two-dimensional mode) have been used to determine the three-dimensional conformation of an ATP analogue, Co(NH3)4ATP, at the active site of sheep kidney Na,K-ATPase. Previous studies have shown that Co(NH3)4ATP is a competitive inhibitor with respect to MnATP for the Na,K-ATPase. Nine unique proton-proton distances on ATPase-bound Co(NH3)4ATP were determined from the initial build-up rates of the cross-peaks of the 2D-TRNOE data sets. These distances, taken together with previous 31P and 1H relaxation measurements with paramagnetic probes, are consistent with a single nucleotide conformation at the active site. The bound (Co(NH3)4ATP) adopts an anti conformation, with a glycosidic torsion angle of 35 degrees, and the conformation of the ribose ring is slightly N-type (C2'-exo, C3'-endo). The delta and gamma torsional angles in this conformation are 100 degrees and 178 degrees, respectively. The nucleotide adopts a bent configuration, in which the triphosphate chain lies nearly parallel to the adenine moiety. Mn2+ bound to a single, high-affinity site on the ATPase lies above and in the plane of the adenine ring. The distances from enzyme-bound Mn2+ to N6 and N7 are too large for first coordination sphere complexes, but are appropriate for second-sphere complexes involving, for example, intervening hydrogen-bonded water molecules. The NMR data also indicate that the structure of the bound ATP analogue is independent of the conformational state of the enzyme

  11. Nuclear Overhauser effect studies of the conformation of Co(NH3)4ATP bound to kidney Na,K-ATPase

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, J.M.; Jorgensen, P.L.; Grisham, C.M. (Univ. of Virginia, Charlottesville (USA))

    1989-05-30

    Transferred nuclear Overhauser effect measurements (in the two-dimensional mode) have been used to determine the three-dimensional conformation of an ATP analogue, Co(NH3)4ATP, at the active site of sheep kidney Na,K-ATPase. Previous studies have shown that Co(NH3)4ATP is a competitive inhibitor with respect to MnATP for the Na,K-ATPase. Nine unique proton-proton distances on ATPase-bound Co(NH3)4ATP were determined from the initial build-up rates of the cross-peaks of the 2D-TRNOE data sets. These distances, taken together with previous 31P and 1H relaxation measurements with paramagnetic probes, are consistent with a single nucleotide conformation at the active site. The bound (Co(NH3)4ATP) adopts an anti conformation, with a glycosidic torsion angle of 35{degrees}, and the conformation of the ribose ring is slightly N-type (C2'-exo, C3'-endo). The delta and gamma torsional angles in this conformation are 100 degrees and 178 degrees, respectively. The nucleotide adopts a bent configuration, in which the triphosphate chain lies nearly parallel to the adenine moiety. Mn2+ bound to a single, high-affinity site on the ATPase lies above and in the plane of the adenine ring. The distances from enzyme-bound Mn2+ to N6 and N7 are too large for first coordination sphere complexes, but are appropriate for second-sphere complexes involving, for example, intervening hydrogen-bonded water molecules. The NMR data also indicate that the structure of the bound ATP analogue is independent of the conformational state of the enzyme.

  12. Competition Between Co(NH3)63+ and Inner Sphere Mg2+ Ions in the HDV Ribozyme

    OpenAIRE

    Gong, Bo; Chen, Jui-Hui; Bevilacqua, Philip C.; Golden, Barbara L.; Carey, Paul R.

    2009-01-01

    Divalent cations play critical structural and functional roles in many RNAs. While the hepatitis delta virus (HDV) ribozyme can undergo self-cleavage in the presence of molar concentrations of monovalent cations, divalent cations such as Mg2+ are required for efficient catalysis under physiological conditions. Moreover, the cleavage reaction can be inhibited with Co(NH3)63+, an analog of Mg(H2O)62+. Here, the binding of Mg2+ and Co(NH3)63+ to the HDV ribozyme are studied by Raman microscopic ...

  13. Historieportal 3.-6. - historie3-6.gyldendal.dk

    DEFF Research Database (Denmark)

    Poulsen, Jens Aage

    Portal, der indeholder tekster, video, billeder, interaktive opgaver m.m. til undervisningen i historie i 3.-6. klasse......Portal, der indeholder tekster, video, billeder, interaktive opgaver m.m. til undervisningen i historie i 3.-6. klasse...

  14. 2-(4-Chlorobenzoyl-3,6-dimethoxynaphthalene

    Directory of Open Access Journals (Sweden)

    Noriyuki Yonezawa

    2008-03-01

    Full Text Available In the title compound, C19H15ClO3, the interplanar angle between the naphthalene and benzene ring systems is 62.67 (6°. The carbonyl group is twisted from both ring planes, with torsion angles of −44.9 (2° with respect to the naphthalene ring and −26.7 (2° with respect to the phenylene ring. There is an intermolecular hydrogen bond between an H atom of one methoxy group and the O atom of the second methoxy group, forming chains along the ac diagonal.

  15. TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

    Directory of Open Access Journals (Sweden)

    Viktor Hlukhyy

    2010-12-01

    Full Text Available The title compound, terbium hexaniobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an intergrowth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodecahedron 6/mmm; Nb (distorted icosahedron 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15 6mm and overline{6}m2; Sn (distorted icosahedron overline{6}m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels.

  16. Coordination compounds of thorium(4) containing tris(dimethylamino)-phosphinoxide

    International Nuclear Information System (INIS)

    Skopenko, V.V.; Klunnik, L.A.

    1983-01-01

    Compounds including tris(dimethylamino)-phosphinoxide of the following composition: [ThX 4 (HMPA) 4 ] and [ThX 2 (HMPA) 4 ](BPh 4 ) 2 , where X=NCSe, N(CN) 2 =, C(CN) 3 , ONC(CN) 2 -, [C(CN) 2 C(O)NH 2 ], BPh 4 =[B(C 6 H 5 ) 4 ] - , and HMPA=OP[N(CN 3 ) 2 ] 3 are prepared by interactions of thoriUm chloride with different pseudohalogenides and sodium tetraphenylborate. Some properties of the above compoUnds are studied. Using the IR spectroscopy, the way of coordinating these compounds is determined; the X-ray crystal analysis has determined isostrUcture of compounds: [Th(NCX) 4 (HMPA) 4 ] and [ThX 2 (HMPA) 4 ](BPh 4 ) 2 , where X is Se, S

  17. Studies of the yields of 57Fe(II)-species produced after the EC-decay and of 60Co(II)-species produced in the (n, γ) reaction in cobalt(III) coordination compounds

    International Nuclear Information System (INIS)

    Sano, Hirotoshi; Harada, Masayuki; Endo, Kazutoyo

    1978-01-01

    The yields of 57 Fe(II)-species produced after EC-decay were compared with those of 60 Co(II)-species produced in the 59 Co(n, γ) 60 Co reaction for twelve cobalt(III) coordination compounds. The results indicate that the radiochemical yield of 60 Co(II)-species correlates with the yield of 57 Fe(II)-species except in the case of [Co(NH 3 ) 6 ] 2 (CrO 4 ) 3 . The anomalously low yield of 57 Fe(II)-species in [Co(NH 3 ) 6 ] 2 (CrO 4 ) 3 is ascribed to the reaction of chromate anions with ammine ligands initiated by the nuclear transformation in a solid. (author)

  18. Some Anilides of 2-Alkylthio- and 2-Chloro-6-Alkylthio-4-Pyridinecarboxylic Acids: Synthesis and Photosynthesis-Inhibiting Activity

    Directory of Open Access Journals (Sweden)

    Miloš Macháček

    2001-06-01

    Full Text Available Many compounds containing a -CONH- group display photosynthesis inhibiting activity. Based on this structural feature, a group of anilides of 2-alkylthio-(1b-4f or 2-chloro-6-alkylthio-4-pyridinecarboxylic acids (5a-6c was synthesised. The prepared compounds were tested for their inhibition of the oxygen evolution rate (OER in spinach chloroplasts. A quasi-parabolic dependence between photosynthesis-inhibiting activity and the lipophilicity of the compounds was determined for 1b-4f as well as for 5a-6c. The inhibitory activity of compounds 1b-4f was higher than that of 5a-6c for comparable lipophilicity values.

  19. "Anomalous" excitation in hydrogen-bonded molecular crystals - a Raman scattering study of specifically deuterated acetanilide (C 6D 5-CONH-CD 3)

    Science.gov (United States)

    Sauvajol, J. L.; De Nunzio, G.; Almairac, R.; Moret, J.; Barthés, M.; Bataillon, Place E.

    1991-01-01

    The focus of experimental and theoretical works about crystalline Acetanilide has been the "anomalous" temperature-dependent ir absorption and Raman peaks at about 1650 cm -1 and the multiband structure in the N-H stretch region. A lively discussion about the assignment of these "anomalous" bands has arisen and is still in progress. The present Raman experiments should be placed in this context as an attempt to identify the molecular degrees of freedom which originate the "anomalous" bands. In this aim Raman experiments have been performed on specifically deuterated Acetanilide [C 6D 5-CONH-CD 3] single crystal in the low-frequency (phonon) and C=O stretching regions. On cooling a distinct band at about 1495 cm -1 increases in intensity. We assign this peak to the equivalent of the 1650 cm -1 band in Acetanilide. The temperature dependence of this Raman line was studied. The results are discussed in the light of the models proposed to explain the anomalous behaviour of the 1650 cm -1 Raman line in Acetanilide.

  20. 9-Ethyl-3,6-diformyl-9H-carbazole

    Directory of Open Access Journals (Sweden)

    Jun Jie Wang

    2008-07-01

    Full Text Available The structure of the title compound, C16H13NO2, was determined as a part of a project on the synthesis of new compounds which can make two-photon absorptions. In the crystal structure, both aldehyde groups are located within the carbazole plane. One of these groups is disordered and was refined using a split model with site-occupation factors for each position of 0.5.

  1. Synthesis and biological evaluation of 3,6-dialkylsubstituted-[1,2,4 ...

    Indian Academy of Sciences (India)

    VIJAYENDAR VENEPALLY

    2018-02-16

    Feb 16, 2018 ... A series of 3,6-dialkyl-[1,2,4] triazolo[3,4-b][1,3,4]thiadiazole (10) analogues were ... Cytotoxicity data revealed that most of the tested compounds revealed cytotoxic ...... jary B 2003 Synthesis characterization and anticancer.

  2. Synthesis of the Demospongic Compounds, (6Z, 11Z-Octadecadienoic Acid and (6Z, 11Z-Eicosadienoic Acid

    Directory of Open Access Journals (Sweden)

    V. R. Mamdapur

    1997-01-01

    Full Text Available A stereoselective synthesis of (6Z, 11Z-octadecadienoic acid (1 and (6Z, 11Z-eicosadienoic acid (2 from easily accessible pentane-1,5-diol (3 is described. Thus, compound 3 on pyranylation and oxidation gave the aldehyde 5 which was converted to the acid 7 by Wittig reaction with a suitable phosphorane. Its depyranylation and oxidation furnished the key aldehyde 9 which upon Wittig reaction with n-heptylidene and n-nonylidene phosphoranes, respectively followed by alkaline hydrolysis afforded the title acids.

  3. 1,6-Bis[(2,2′:6′,2′′-terpyridin-4′-yloxy]hexane

    Directory of Open Access Journals (Sweden)

    Varvara I. Nikolayenko

    2012-07-01

    Full Text Available The molecule of the title compound, C36H32N6O2, lies about an inversion center, located at the mid-point of the central C—C bond of the diether bridge. The terminal pyridine rings form dihedral angles of 4.67 (7 and 26.23 (7° with the central ring. In the crystal, weak C—H...N and C—H...O interactions link the molecules into a three-dimensional network.

  4. Enhanced antioxidant activity of gold nanoparticle embedded 3,6-dihydroxyflavone: a combinational study

    Science.gov (United States)

    Medhe, Sharad; Bansal, Prachi; Srivastava, Man Mohan

    2014-02-01

    The antioxidative effect of selected dietary compounds (3,6-dihydroxyflavone, lutein and selenium methyl selenocysteine) was determined in single and combination using DPPH (2,2-diphenyl-l-picrylhydrazyl), OH (hydroxyl), H2O2 (hydrogen peroxide) and NO (nitric oxide) radical scavenging assays. Radical scavenging effect of the dietary phytochemicals individually are found to be in the order: ascorbic acid (standard) > lutein > 3,6-dihydroxyflavone > selenium methyl selenocysteine, at concentration 100 μg/ml, confirmed by all the four bioassays (p nanotech enforcement of dietary phytochemicals shows the utility in the architecture of nanoparticle embedded phytoproducts having a wide range of applications in medical science.

  5. Replacing -CH2CH2- with -CONH- does not significantly change rates of charge transport through Ag(TS)-SAM//Ga2O3/EGaIn junctions.

    Science.gov (United States)

    Thuo, Martin M; Reus, William F; Simeone, Felice C; Kim, Choongik; Schulz, Michael D; Yoon, Hyo Jae; Whitesides, George M

    2012-07-04

    This paper describes physical-organic studies of charge transport by tunneling through self-assembled monolayers (SAMs), based on systematic variations of the structure of the molecules constituting the SAM. Replacing a -CH(2)CH(2)- group with a -CONH- group changes the dipole moment and polarizability of a portion of the molecule and has, in principle, the potential to change the rate of charge transport through the SAM. In practice, this substitution produces no significant change in the rate of charge transport across junctions of the structure Ag(TS)-S(CH(2))(m)X(CH(2))(n)H//Ga(2)O(3)/EGaIn (TS = template stripped, X = -CH(2)CH(2)- or -CONH-, and EGaIn = eutectic alloy of gallium and indium). Incorporation of the amide group does, however, increase the yields of working (non-shorting) junctions (when compared to n-alkanethiolates of the same length). These results suggest that synthetic schemes that combine a thiol group on one end of a molecule with a group, R, to be tested, on the other (e.g., HS~CONH~R) using an amide-based coupling provide practical routes to molecules useful in studies of molecular electronics.

  6. The methylcobalt(III) complex of a tetrapodal pentadentate amine ligand, 2,6-bis(1′,3′-diamino-2′-methyl-prop-2′-yl)pyridine

    DEFF Research Database (Denmark)

    Grohmann, Andreas; Heinemann, Frank W; Kofod, Pauli

    1999-01-01

    The pentaamine methylcobalt(III) compound [Co(pyN4)(CH3)](NO3)2 (pyN4=2,6-bis(1′,3′-diamino-2′-methyl-prop-2′-yl)pyridine) has been synthesised from [Co(NH3)5(CH3)](NO3)2 and pyN4 by ligand exchange, and characterised by IR, 1H, 13C and 59Co NMR spectroscopy as well as elemental analysis. The str......The pentaamine methylcobalt(III) compound [Co(pyN4)(CH3)](NO3)2 (pyN4=2,6-bis(1′,3′-diamino-2′-methyl-prop-2′-yl)pyridine) has been synthesised from [Co(NH3)5(CH3)](NO3)2 and pyN4 by ligand exchange, and characterised by IR, 1H, 13C and 59Co NMR spectroscopy as well as elemental analysis...... nitrogen atom, while the four equivalent primary amino groups take the equatorial positions. The other axial position, trans to the pyridine ring, is occupied by the methyl group. The Co–Npy bond length of 2.018(2) Å is significantly elongated compared with other cobalt(III) complexes of the pyN4 ligand...

  7. rac-1-[6-Hydroxy-4-(4-methoxyphenyl-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone

    Directory of Open Access Journals (Sweden)

    Konstantin A. Potekhin

    2013-02-01

    Full Text Available The title compound, C18H22N2O3, represents a (4S,5R,6S-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hydroxy- and acetyl-substituted C atoms deviating by 0.458 (2 and −0.366 (2 Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004 (2 Å]. In the crystal, the molecules are linked into chains along the b axis by N—H...N hydrogen bonds. The chains are linked by O—H...N hydrogen bonds into layers parallel to the bc plane.

  8. A high-density ammonia storage/delivery system based on Mg(NH3)6Cl2 for SCR-DeNOx in vehicles

    DEFF Research Database (Denmark)

    Elmøe, Tobias Dokkedal; Sørensen, Rasmus Zink; Quaade, Ulrich

    2006-01-01

    ammonia density of up to 93% of that of liquid ammonia. This provides a long lasting ammonia storage (approximate to 20000 km of driving per 6.2 L Mg(NH(3))(6)Cl(2) for an average medium-sized vehicle). The controlled thermal decomposition of Mg(NH(3))(6)Cl(2) was demonstrated. A small reactor......(NE(3))(6)Cl(2) ideal for use as an ammonia storage compound in both diesel and lean-burn gasoline-driven automobiles. (c) 2005 Elsevier Ltd. All rights reserved....

  9. 36 CFR 254.15 - Title standards.

    Science.gov (United States)

    2010-07-01

    ...) Conveyances of lands from the United States are made by patent, quitclaim deed, or deed and without express or implied warranties, except as to hazardous substances pursuant to § 254.3 of this subpart. (c) Title... of the existing use(s) authorized under the terms of the grant, permit, easement, or lease. The non...

  10. Syntheses of bar 6-2H bar-indole, bar 6-2H bar-gramine and bar 6-3H bar-gramine

    International Nuclear Information System (INIS)

    Ghini, A.A.; Burton, G.; Gros, E.G.

    1986-01-01

    The title compounds were obtained from the corresponding 6-bromo derivatives by conversion to the 1,6-dilithio-compounds followed by treatment with deuteriated or tritiated water and exchange of the 1-deuterium or tritium with water. (author)

  11. N-Cyano-7α-methoxycarbonyl-6,14-endo-ethenotetrahydronorthebaine

    Directory of Open Access Journals (Sweden)

    Mustafa Odabaşoğlu

    2009-09-01

    Full Text Available In the title compound (systematic name: methyl 17-cyano-3,6-dimethoxy-4,5α-epoxy-6,14-endo-ethenomorphinan-7-carboxylate, C23H24N2O5, the dihydrofuran ring adopts a twist conformation, while the piperidine ring is in a chair conformation. The benzene-fused cyclohexene ring adopts an envelope conformation. An intramolecular C—H...O hydrogen bond is observed. Intermolecular C—H...N and C—H...O hydrogen bonds form C(5 chains along the a and b axes, respectively, and together they form a three-dimensional network.

  12. EQ3/6: status and applications

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.; Isherwood, D.J.; Jackson, K.J.; Delany, J.M.; Puigdomenech, I.

    1984-12-01

    EQ3/6 is a set of related computer codes and data files for use in geochemical modeling of aqueous systems. The EQ3/6 package centers around two large computer codes, EQ3NR and EQ6, which are supported by a common thermodynamic data base. EQ3NR is a speciation-solubility code, whose function is to compute a model of the state of an aqueous solution. This code is very flexible in terms of the input that it will accept. EQ6 is a reaction-path code, which calculates models of changes in aqueous systems as they proceed toward a state of overall chemical equilibrium. EQ3/6 prior to FY83 had no capability for modeling brines, because the approximations for calculating the thermodynamic activity of water and the activity coefficients of the solute species were restricted to low ionic strengths ({le} 1.0 molal). An option has been added to use Pitzer`s equations for such calculations. At present, EQ3/6 contains two alternate Pitzer coefficient data bases. Several improvements have been made to the EQ6 code. Prior to FY83, the code could run models of mineral dissolution kinetics, but could not calculate models of precipitation kinetics. This problem has been overcome by additional code development. The speed of non-kinetic EQ6 calculations has recently been enhanced by the creation of two new calculational modes, economy mode and super economy mode. A calculational mode to simulate systems open to large gas reservoirs has also been developed. 34 references.

  13. 36 CFR 504.6 - Gambling.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Gambling. 504.6 Section 504.6... INSTITUTION BUILDINGS AND GROUNDS § 504.6 Gambling. Participating in games for money or other personal property or the operation of gambling devices, the conduct of a lottery or pool, or the selling or...

  14. 36 CFR 34.6 - Fires.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Fires. 34.6 Section 34.6... ADMINISTRATIVE SITE REGULATIONS § 34.6 Fires. (a) All wildland, vehicular or structural fires shall be reported... Fire Laws and Regulations are adopted as a part of this part. Violation of any of these regulations is...

  15. 12 CFR 3.6 - Minimum capital ratios.

    Science.gov (United States)

    2010-01-01

    ... should have well-diversified risks, including no undue interest rate risk exposure; excellent control... 12 Banks and Banking 1 2010-01-01 2010-01-01 false Minimum capital ratios. 3.6 Section 3.6 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY MINIMUM CAPITAL RATIOS; ISSUANCE...

  16. Title I conceptual design for Pit 6 landfill closure at Lawrence Livermore National Laboratory Site 300

    International Nuclear Information System (INIS)

    MacDonnell, B.A.; Obenauf, K.S.

    1996-08-01

    The objective of this design project is to evaluate and prepare design and construction documents for a closure cover cap for the Pit 6 Landfill located at Lawrence Livermore National Laboratory Site 300. This submittal constitutes the Title I Design (Conceptual Design) for the closure cover of the Pit 6 Landfill. A Title I Design is generally 30 percent of the design effort. Title H Design takes the design to 100 percent complete. Comments and edits to this Title I Design will be addressed in the Title II design submittal. Contents of this report are as follows: project background; design issues and engineering approach; design drawings; calculation packages; construction specifications outline; and construction quality assurance plan outline

  17. Quarterly title list for the period ending June 1980

    International Nuclear Information System (INIS)

    1980-01-01

    The title list contains: a) 17 titles and abstracts of laboratory reports, b) 36 titles of publications (32 with abstracts), c) 13 titles of articles submitted for publication (12 with abstracts), and d) 72 titles of lectures (52 with abstracts.) (GG) [de

  18. 6 CFR 13.36 - Post-hearing briefs.

    Science.gov (United States)

    2010-01-01

    ... 6 Domestic Security 1 2010-01-01 2010-01-01 false Post-hearing briefs. 13.36 Section 13.36 Domestic Security DEPARTMENT OF HOMELAND SECURITY, OFFICE OF THE SECRETARY PROGRAM FRAUD CIVIL REMEDIES § 13.36 Post-hearing briefs. The ALJ may require the parties to file post-hearing briefs. In any event...

  19. Phase transitions and molecular motions in [Ni(ND3)6](ClO4)2

    International Nuclear Information System (INIS)

    Migdal-Mikuli, Anna; Mikuli, Edward; Gorska, Natalia; Kowalska, Aneta; Ulanski, Jacek

    2004-01-01

    [Ni(ND 3 ) 6 ](ClO 4 ) 2 has three solid phases between 100 and 300 K. The phase transitions temperatures at heating (T C1 h =164.1 K and T C2 h =145.1 K) are shifted, as compared to the non-deuterated compound, towards the lower temperature of ca. 8 and 5 K, respectively. The ClO 4 - anions perform fast, picosecond, isotropic reorientation with the activation energy of 6.6 kJ mol -1 , which abruptly slow down at T C1 c phase transition, during sample cooling. The ND 3 ligands perform fast uniaxial reorientation around the Ni-N bond in all three detected phases, with the effective activation energy of 2.9 kJ mol -1 . The reorientational motion of ND 3 is only slightly distorted at the T C1 phase transition due to the dynamical orientational order-disorder process of anions. The low value of the activation energy for the ND 3 reorientation suggests that this reorientation undergoes the translation-rotation coupling, which makes the barrier to the rotation of the ammonia ligands not constant but fluctuating. The phase polymorphism and the dynamics of the molecular reorientations of the title compound are similar but not quite identical with these of the [Ni(NH 3 ) 6 ](ClO 4 ) 2

  20. 1-Chloro-3-(6-nitro-1H-indazol-1-ylpropan-2-ol

    Directory of Open Access Journals (Sweden)

    Mohamed Mokhtar Mohamed Abdelahi

    2017-05-01

    Full Text Available In the title compound, C10H10ClN3O3, the side chain is oriented nearly perpendicular to the mean plane of the indazole ring system. In the crystal, complementary sets of O—H...N and C—H...O hydrogen bonds form chains of molecules stacked along the a-axis direction

  1. 3-Nitrophenol–1,3,5-triazine-2,4,6-triamine (2/1

    Directory of Open Access Journals (Sweden)

    V. Sangeetha

    2013-06-01

    Full Text Available The asymmetric unit of the title compound, C3H6N6·2C6H5NO3, contains one melamine and two 3-nitrophenol molecules. The mean planes of the 3-nitrophenol molecules are almost orthogonal to the plane of melamine, making dihedral angles of 82.77 (4 and 88.36 (5°. In the crystal, molecules are linked via O—H...N, N—H...N and N—H...O hydrogen bonds, forming a three-dimensional network. The crystal also features weak C—H...π and π–π interactions [centroid–centroid distance = 3.9823 (9 Å].

  2. Cs0.49NbPS6

    Directory of Open Access Journals (Sweden)

    Hoseop Yun

    2011-01-01

    Full Text Available The quaternary thiophosphate, Cs0.49NbPS6, caesium hexathioniobiophosphate(V, has been synthesized by the reactive halide flux method. The title compound is isotypic with Rb0.46TaPS6 and is made up of a bicapped trigonal–biprismatic [Nb2S12] unit and a tetrahedral [PS4] group. The [Nb2S12] units linked by the [PS4] tetrahedra form infinite chains, yielding a three-dimensional network with rather large van der Waals gaps along the c axis in which the disordered Cs+ ions reside. The electrons released by the Cs atoms are transferred to the pairwise niobium metal site and there are substantial intermetallic Nb—Nb bonding interactions. This leads to a significant decrease of the intermetallic distance in the title compound compared to that in TaPS6. The classical charge balance of the title compound may be represented as [Cs+]0.49[Nb4.51+][P5+][S2−]4[S22−].

  3. 36 CFR 1005.6 - Commercial vehicles.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Commercial vehicles. 1005.6 Section 1005.6 Parks, Forests, and Public Property PRESIDIO TRUST COMMERCIAL AND PRIVATE OPERATIONS § 1005.6 Commercial vehicles. (a) The term “Commercial vehicle” as used in this section shall include, but...

  4. Synthesis, crystal structure and biological activity of a novel 1,2,3-thidiazole compound

    International Nuclear Information System (INIS)

    Ke, W.

    2013-01-01

    A new 1,2,3-thiadiazole compound was synthesized and characterized by 1H NMR, MS and HRMS. The crystal structure of the title compound (C/sub 12/H/sub 11/ClN/sub 2/O/sub 4/S/sub 2/, Mr = 346.80) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 8.4425(17) A, b = 8.9801(18) A, c = 9.859(2) A, alpha = 84.36(3) degree, beta = 86.71(3)degree, lambda = 83.25(3) degree, V = 737.9(3)A3, Z 2, F(000) = 356, Dc = 1.561 g/cm/sup 3/, mu = 0.557 mm-1, the final R1 0.0380 and wR2 = 0.0982 for 2160 observed reflections with I > 2sigma(I). A total of 12585 reflections were collected, of which 2601 were independent (Rint 0.0364). The herbicidal activity of title compound was determined, the results showed the title compound displayed excellent herbicidal activity against Brassica campestris. (author)

  5. 36 CFR 6.7 - Mining wastes.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Mining wastes. 6.7 Section 6... DISPOSAL SITES IN UNITS OF THE NATIONAL PARK SYSTEM § 6.7 Mining wastes. (a) Solid waste from mining includes but is not limited to mining overburden, mining byproducts, solid waste from the extraction...

  6. 3-Nitro-phenol-1,3,5-triazine-2,4,6-tri-amine (2/1).

    Science.gov (United States)

    Sangeetha, V; Kanagathara, N; Chakkaravarthi, G; Marchewka, M K; Anbalagan, G

    2013-06-01

    The asymmetric unit of the title compound, C3H6N6·2C6H5NO3, contains one melamine and two 3-nitro-phenol mol-ecules. The mean planes of the 3-nitro-phenol mol-ecules are almost orthogonal to the plane of melamine, making dihedral angles of 82.77 (4) and 88.36 (5)°. In the crystal, mol-ecules are linked via O-H⋯N, N-H⋯N and N-H⋯O hydrogen bonds, forming a three-dimensional network. The crystal also features weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.9823 (9) Å].

  7. Construction of two novel indium phosphites with (3,6)- and (3,5)-connected frameworks: Synthesis, structure and characterization

    International Nuclear Information System (INIS)

    Li Huiduan; Zhang Lirong; Huo Qisheng; Liu Yunling

    2013-01-01

    Two novel anionic indium phosphites, formulated as [H 3 O][In(HPO 3 ) 2 ] (1) and [C 4 H 12 N 2 ][In 2 (HPO 3 ) 3 (C 2 O 4 )] (2), were prepared under hydrothermal conditions by using piperazine (PIP) as a structure-directing agent (SDA). Single-crystal X-ray diffraction analysis reveals that compounds 1 and 2 crystallize in the hexagonal space group P6 3 mc (No. 186) and orthorhombic space group Cmcm (No. 63), respectively. Compound 1, constructed from InO 6 octahedra and HPO 3 pseudo-pyramids, exhibits a rare (3,6)-connected layer structure with kgd (Kagome dual) topology. Compound 2, on the other hand, features a 3D phosphite-oxalate hybrid structure with intersecting 8- and 12-MRs channels. From a topological perspective 2 can be regarded as a (3, 5)-connected binodal net with the Schläfli symbol (4 2 .6)(4 2 .6 5 .8 3 ). Highlights: ► Two novel indium phosphite and indium phosphite-oxalate hybrid compounds are synthesized. ► (3, 6)-connected layer structure with kgd topology. ► (3,5)-connected binodal net with the Schläfli symbol (4 2 .6)(4 2 .6 5 .8 3 ).

  8. 36 CFR 5.6 - Commercial vehicles.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Commercial vehicles. 5.6... COMMERCIAL AND PRIVATE OPERATIONS § 5.6 Commercial vehicles. (a) The term “Commercial vehicle” as used in... used in connection with any business. (b) The use of government roads within park areas by commercial...

  9. 36 CFR 254.6 - Segregative effect.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Segregative effect. 254.6... ADJUSTMENTS Land Exchanges § 254.6 Segregative effect. (a) If a proposal is made to exchange Federal lands... segregative effect terminates as follows: (1) Automatically, upon issuance of a patent or other document of...

  10. Halogen effect on structure and 13C NMR chemical shift of 3,6-disubstituted-N-alkyl carbazoles

    DEFF Research Database (Denmark)

    Radula-Janik, Klaudia; Kupka, Teobald; Ejsmont, Krzysztof

    2013-01-01

    Structures of selected 3,6-dihalogeno-N-alkyl carbazole derivatives were calculated at the B3LYP/6-311++G(3df,2pd) level of theory and their 13C NMR isotropic nuclear shieldings were predicted using density functional theory (DFT). The model compounds contained 9H-, N-methyl and N-ethyl derivatives...

  11. EQ3/6 software test and verification report 9/94

    International Nuclear Information System (INIS)

    Kishi, T.

    1996-02-01

    This document is the Software Test and Verification Report (STVR) for the EQ3/6 suite of codes as stipulated in the Individual Software Plan for Initial Qualification of EQ3/6 (ISP-NF-07, Revision 1, 11/25/92). The software codes, EQPT, EQ3NR, EQ6, and the software library EQLIB constitute the EQ3/6 software package. This software test and verification project for EQ3/6 was started under the requirements of the LLNL Yucca Mountain Project Software Quality Assurance Plan (SQAP), Revision 0, December 14, 1989, but QP 3.2, Revision 2, June 21, 1994 is now the operative controlling procedure. This is a ''V and V'' report in the language of QP 3.2, Revision 2. Because the author of this report does not have a background in geochemistry, other technical sources were consulted in order to acquire some familiarity with geochemisty, the terminology minology involved, and to review comparable computational methods especially, geochemical aqueous speciation-solubility calculations. The software for the EQ3/6 package consists of approximately 47,000 lines of FORTRAN77 source code and nine on platforms ranging from workstations to supercomputers. The physical control of EQ3/6 software package and documentation is on a SUN SPARC station. Walkthroughs of each principal software packages, EQPT, EQ3NR, and EQ6 were conducted in order to understand the computational procedures involved, to determine any commonality in procedures, and then to establish a plan for the test and verification of EQ3/6. It became evident that all three phases depended upon solving an n x n matrix by the Newton-Raphson Method. Thus, a great deal of emphasis on the test and verification of this procedure was carried out on the first code in the software package EQPT

  12. EQ3/6 software test and verification report 9/94

    Energy Technology Data Exchange (ETDEWEB)

    Kishi, T.

    1996-02-01

    This document is the Software Test and Verification Report (STVR) for the EQ3/6 suite of codes as stipulated in the Individual Software Plan for Initial Qualification of EQ3/6 (ISP-NF-07, Revision 1, 11/25/92). The software codes, EQPT, EQ3NR, EQ6, and the software library EQLIB constitute the EQ3/6 software package. This software test and verification project for EQ3/6 was started under the requirements of the LLNL Yucca Mountain Project Software Quality Assurance Plan (SQAP), Revision 0, December 14, 1989, but QP 3.2, Revision 2, June 21, 1994 is now the operative controlling procedure. This is a ``V and V`` report in the language of QP 3.2, Revision 2. Because the author of this report does not have a background in geochemistry, other technical sources were consulted in order to acquire some familiarity with geochemisty, the terminology minology involved, and to review comparable computational methods especially, geochemical aqueous speciation-solubility calculations. The software for the EQ3/6 package consists of approximately 47,000 lines of FORTRAN77 source code and nine on platforms ranging from workstations to supercomputers. The physical control of EQ3/6 software package and documentation is on a SUN SPARC station. Walkthroughs of each principal software packages, EQPT, EQ3NR, and EQ6 were conducted in order to understand the computational procedures involved, to determine any commonality in procedures, and then to establish a plan for the test and verification of EQ3/6. It became evident that all three phases depended upon solving an n x n matrix by the Newton-Raphson Method. Thus, a great deal of emphasis on the test and verification of this procedure was carried out on the first code in the software package EQPT.

  13. Browse Title Index

    African Journals Online (AJOL)

    Items 9951 - 10000 of 11090 ... Issue, Title. Vol 10, No 36 (2011), Study of heavy metals bioaccumulation in the process of vermicomposting, Abstract PDF. MM Aleagha, G Ebadi. Vol 10, No 45 (2011), Study of malondialdehyde (MDA) content, superoxide dismutase (SOD) and glutathione peroxidase (GSH-Px) activities in ...

  14. 18 CFR 1306.6 - Expense of transfer of title and proration of taxes.

    Science.gov (United States)

    2010-04-01

    ... 18 Conservation of Power and Water Resources 2 2010-04-01 2010-04-01 false Expense of transfer of title and proration of taxes. 1306.6 Section 1306.6 Conservation of Power and Water Resources TENNESSEE... property by TVA: (a) TVA will, to the extent it deems fair and reasonable, bear all expenses incidental to...

  15. Photocatalytic oxidation of organic compounds in a hybrid system composed of a molecular catalyst and visible light-absorbing semiconductor.

    Science.gov (United States)

    Zhou, Xu; Li, Fei; Li, Xiaona; Li, Hua; Wang, Yong; Sun, Licheng

    2015-01-14

    Photocatalytic oxidation of organic compounds proceeded efficiently in a hybrid system with ruthenium aqua complexes as catalysts, BiVO4 as a light absorber, [Co(NH3)5Cl](2+) as a sacrificial electron acceptor and water as an oxygen source. The photogenerated holes in the semiconductor are used to oxidize molecular catalysts into the high-valent Ru(IV)=O intermediates for 2e(-) oxidation.

  16. Magnetic properties of the HoMn6-xFe xSn6 compounds

    International Nuclear Information System (INIS)

    Cakir, O.; Dincer, I.; Duman, E.; Krenke, T.; Elmali, A.; Elerman, Y.

    2007-01-01

    Intermetallic compounds of HoMn 6-x Fe x Sn 6 (0 ≤ x ≤ 1.2) were studied by means of field-cooled (FC) and zero-field-cooled (ZFC) magnetization measurements in the temperature range 5 K ≤ T ≤ 600 K. The unit cell parameters decrease with the increasing of Fe content. The compounds with x = 0 and 0.3 behave ferrimagnetically in the whole temperature range and spin reorientation transition is observed at 200 and 185 K, respectively. The x = 0.5 and 0.6 compounds show ferrimagnetic-helimagnetic-ferrimagnetic phase transitions with decreasing temperature while the compounds with x = 0.9 and 1.2 only show helimagnetic-ferrimagnetic phase transitions. Additionally, for the x = 0.6 compound the metamagnetic phase transition from helimagnetism to ferrimagnetism is induced by an applied field 20 kOe

  17. Cellular internalization and morphological analysis after intravenous injection of a highly hydrophilic octahedral rhenium cluster complex - a new promising X-ray contrast agent.

    Science.gov (United States)

    Krasilnikova, Anna A; Solovieva, Anastasiya O; Trifonova, Kristina E; Brylev, Konstantin A; Ivanov, Anton A; Kim, Sung-Jin; Shestopalov, Michael A; Fufaeva, Maria S; Shestopalov, Alexander M; Mironov, Yuri V; Poveshchenko, Alexander F; Shestopalova, Lidia V

    2016-11-01

    The octahedral cluster compound Na 2 H 8 [{Re 6 Se 8 }(P(C 2 H 4 CONH 2 )(C 2 H 4 COO) 2 ) 6 ] has been shown to be highly radio dense, thus becoming a promising X-ray contrast agent. It was also shown that this compound had low cytotoxic effect in vitro, low acute toxicity in vivo and was eliminated rapidly from the body through the urinary tract. The present contribution describes a more detailed cellular internalization assay and morphological analysis after intravenous injection of this hexarhenium cluster compound at different doses. The median lethal dose (LD 50 ) of intravenously administrated compound was calculated (4.67 ± 0.69 g/kg). Results of the study clearly indicated that the cluster complex H n [{Re 6 Se 8 }(P(C 2 H 4 CONH 2 )(C 2 H 4 COO) 2 ) 6 ] n-10 was not internalized into cells in vitro and induced only moderate morphological alterations of kidneys at high doses without any changes in morphology of liver, spleen, duodenum, or heart of mice. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  18. 36 CFR 1290.6 - Originals and copies.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Originals and copies. 1290.6... ASSASSINATION RECORDS COLLECTION ACT OF 1992 (JFK ACT) § 1290.6 Originals and copies. (a) For purposes of determining whether originals or copies of assassination records will be made part of the President John F...

  19. Identification, synthesis, and biological evaluation of the metabolites of 3-amino-6-(3'-aminopropyl)-5H-indeno[1,2-c]isoquinoline-5,11-(6H)dione (AM6-36), a promising rexinoid lead compound for the development of cancer chemotherapeutic and chemopreventive agents.

    Science.gov (United States)

    Chen, Lian; Conda-Sheridan, Martin; Reddy, P V Narasimha; Morrell, Andrew; Park, Eun-Jung; Kondratyuk, Tamara P; Pezzuto, John M; van Breemen, Richard B; Cushman, Mark

    2012-06-28

    Activation of the retinoid X receptor (RXR), which is involved in cell proliferation, differentiation, and apoptosis, is a strategy for cancer chemotherapy and chemoprevention, and 3-amino-6-(3'-aminopropyl)-5H-indeno[1,2-c]isoquinoline-5,11-(6H)dione (AM6-36) (3) is among the few RXR ligands known. The presently reported studies of 3 include its binding to human plasma proteins, metabolic stability using human liver microsomes, metabolism by human liver microsomes and hepatocytes, and in vivo disposition in rat serum, liver, and mammary tissue. Compound 3 was 75% bound to human plasma proteins, and its metabolic stability was much greater than propranolol. One phase I metabolite was formed by human liver microsomes, seven phase I and II metabolites were formed by human hepatocytes, and five metabolites were detected in rat serum and liver after oral administration. The putative metabolites predicted using LC-MS-MS were synthesized to confirm their structures and to provide sufficient material for investigation of induction of RXRE transcriptional activity and inhibition of NFκB.

  20. 39 CFR 3.6 - Information furnished to Board-financial and operating reports.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Information furnished to Board-financial and operating reports. 3.6 Section 3.6 Postal Service UNITED STATES POSTAL SERVICE THE BOARD OF GOVERNORS OF THE U.S. POSTAL SERVICE BOARD OF GOVERNORS (ARTICLE III) § 3.6 Information furnished to Board—financial...

  1. A convenient preparation of 9 H -carbazole-3,6-dicarbonitrile and 9 H -carbazole-3,6-dicarboxylic acid

    KAUST Repository

    Weselinski, Lukasz Jan; Luebke, Ryan; Eddaoudi, Mohamed

    2014-01-01

    ,6-dicarboxylic acid. Both compounds are versatile and fine-tunable organic building blocks and therefore offer potential in material science, medicinal and supramolecular chemistry. © Georg Thieme Verlag Stuttgart New York.

  2. 46 CFR 151.50-6 - Motor fuel antiknock compounds.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Motor fuel antiknock compounds. 151.50-6 Section 151.50... BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-6 Motor fuel antiknock compounds. When transporting motor fuel antiknock compounds containing tetraethyl lead and...

  3. (3R,6R,12R,20S,24S-3,6,12-Triacetyl-20,24-epoxydammarane-3,6,12,25-tetraol

    Directory of Open Access Journals (Sweden)

    Qing-Guo Meng

    2011-01-01

    Full Text Available The title compound, C36H58O8, was prepared from 20(S-protopanaxatriol, which was degraded from Panax quinquefolium saponin with sodium in glycerine, extracted and seperated by flash chromatography. Three six-membered rings are in chair conformations, the five-membered ring is in an envelope form and the tetrahydrofuran ring has a conformation intermediate between half-chair and envelope. In the crystal, molecules are linked by O—H...O hydrogen bonds, and C—H...O contacts also occur. The absolute structure was assigned on the basis of the synthesis.

  4. Magneto-paper electrophoresis in the separation of inorganic ions

    International Nuclear Information System (INIS)

    Mukherjee, H.G.; Datta, S.K.

    1983-01-01

    A comparative study of the separation of lanthanide ions by paper electrophoresis and magneto-paper electrophoresis is reported. The separation of La(III)-Gd(III), La(III)-Dy(III), Lu(III)-Gd(III), Lu(III)-Ho(III) etc. was achieved by magneto paper electrophoresis using 0.1M KCl as carrier electrolyte. Separation of different oxidation states of the same element like Cu(I)-Cu(II), Ce(III)-Ce(IV), Mn(CN) 6 3 - -Mn(CN) 6 4 - , Co(C 2 O 4 ) 2 2 - -Co(C 2 O 4 ) 3 3 - , V(CN) 6 3 - -VO(CN) 5 3 - , W(CN) 8 4 - -W(CN) 8 3 - and Ru(CN) 6 3 - Ru(CN) 6 4 - was also achieved by magneto paper electrophoretic technique using different carrier electrolytes. (Author)

  5. Interim report on modeling sorption with EQ3/6

    International Nuclear Information System (INIS)

    Viani, B.

    1988-01-01

    Reversible, equilibrium models of sorption to be incorporated into the EQ3/6 geochemical modeling package are summarized. Empirical sorption models as formulated in linear, Langmuir, and Freundlich isotherms will be developed as options to EQ3/6. This work will be done at LLNL. Options for modeling sorption using surface- complexation constructs (diffuse, constant capacitance, and triple-layer models) will also be developed. Development of the surface-complexation options will require part of the work be done under contract. 27 refs., 1 fig

  6. Synthesis, characterization and anti cancer activity of some fluorinated 3,6-diaryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles

    Directory of Open Access Journals (Sweden)

    Deepak Chowrasia

    2017-05-01

    Full Text Available A series of fluorinated 3,6-diaryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles (2a–2i was synthesized by condensation of various substituted 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiols (1a–1i with penta fluoro benzoic acid in good yields (60–80%. The synthesized compounds were screened for anticancer activity against three cancerous cell lines MCF7 (human breast cancer, SaOS-2 (human osteosarcoma and K562 (human myeloid leukemia. The compounds showed moderate to good antiproliferative potency against the studied cell lines. Among these, compound 2b showed higher antiproliferative activity (IC50 22.1, 19 and 15 μM against MCF7, SaOS-2 and K562, respectively while 2a exhibited least antiproliferative activity (IC50 30.2, 39 and 29.4 μM against MCF7, SaOS-2 and K562 cells, respectively. Therefore, the present study demonstrates that fluorine substituted 3,6-diaryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles would be a better prospective in the development of anticancer drugs.

  7. Preparation of compounds AWCl6 from WCl6 in Cl--containing solvents

    International Nuclear Information System (INIS)

    Seifert, H.J.; Kiewisch, B.; Wuesteneck, A.

    1977-01-01

    In Glyme, ACN or CH 2 Cl 2 WCl 6 is reduced by Cl - to WCl 6 - . From those solutions compounds AWCl 6 can be isolated with A = Cs (Glyme, ACN), A = Rb, K, NH 4 (ACN) and A = N(C 2 H 5 ) 4 (CH 2 Cl 2 ). By concentrating of glyme-solutions a precipitate of A 2 WCl 6 is formed by disproportionation. In methanol/HCl also solvolysis to oxo-compounds of W 6+ takes place as function of the H + -concentration. With N(C 2 H 5 ) 4 Cl not only chlorotungstates but also methoxy- and oxo-spezies of W 5+ can be isolated. (author)

  8. 3-Phenyl-6-(2-pyridyl-1,2,4,5-tetrazine

    Directory of Open Access Journals (Sweden)

    Daniel Chartrand

    2008-01-01

    Full Text Available The title compound, C13H9N5, is the first asymmetric diaryl-1,2,4,5-tetrazine to be crystallographically characterized. We have been interested in this motif for incorporation into supramolecular assemblies based on coordination chemistry. The solid state structure shows a centrosymmetric molecule, forcing a positional disorder of the terminal phenyl and pyridyl rings. The molecule is completely planar, unusual for aromatic rings with N atoms in adjacent ortho positions. The stacking observed is very common in diaryltetrazines and is dominated by π stacking [centroid-to-centroid distance between the tetrazine ring and the aromatic ring of an adjacent molecule is 3.6 Å, perpendicular (centroid-to-plane distance of about 3.3 Å].

  9. 29 CFR 36.525 - Fringe benefits.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Fringe benefits. 36.525 Section 36.525 Labor Office of the... Activities Prohibited § 36.525 Fringe benefits. (a) “Fringe benefits” defined. For purposes of these Title IX regulations, fringe benefits means: Any medical, hospital, accident, life insurance, or retirement benefit...

  10. 29 CFR 1602.36 - Schools exemption.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 4 2010-07-01 2010-07-01 false Schools exemption. 1602.36 Section 1602.36 Labor... REQUIREMENTS UNDER TITLE VII, THE ADA AND GINA State and Local Government Information Report § 1602.36 Schools... to State or local educational institutions or to school districts or school systems or any other...

  11. The ternary post-transition metal carbodiimide SrZn(NCN)2

    International Nuclear Information System (INIS)

    Corkett, Alex J.; Konze, Philipp M.; Dronskowski, Richard

    2017-01-01

    SrZn(NCN) 2 , the first example of a ternary post-transition metal carbodiimide, was prepared by a solid-state metathesis reaction. The crystal structure was solved from PXRD data and found to adopt the orthorhombic (Cmcm) BaZnSO structure, a high symmetry modification of that expressed by the oxide analogue SrZnO 2 . Locally, SrZn(NCN) 2 features ZnN 4 tetrahedra and SrN 6 trigonal prisms similar to those in quarternary LiSr 2 M(NCN) 4 (M = Al 3+ and Ga 3+ ) phases, however, the overall topologies are distinct with single chains in the former and double chains in the latter. Electronic structure calculations indicate an indirect bandgap of about 2.95 eV in SrZn(NCN) 2 , slightly lower than the experimentally observed bandgap of 3.4 eV in SrZnO 2 and consistent with a greater degree of covalency. The structural similarities between SrZn(NCN) 2 and oxychalcogenide analogues highlight the pseudochalcogenide character of NCN 2- and suggest that the title compound may serve as a template for accessing novel ternary carbodiimides featuring tetrahedrally coordinated transition metals. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. 7α-Methoxycarbonyl-6,7,8,14-tetrahydro-6,14-endo-ethenothebaine

    Directory of Open Access Journals (Sweden)

    Mustafa Odabaşoğlu

    2009-04-01

    Full Text Available In the molecule of the title compound, C23H27NO5, the furan ring adopts an envelope conformation. Intramolecular C—H...O interactions result in the formation of S(5 and S(6 motifs. In the crystal structure, weak intermolecular C—H...O hydrogen bonds link the molecules through C(6 and C(8 chains along the [100] and [010] directions, generating a two-dimensional network.

  13. Intermediate Term (3-6 Years Post Surgery) Outcome of ...

    African Journals Online (AJOL)

    Post-operatively, the 5 eyes had VA ranging from 6/60 to NLP, after a variable follow-up period of 3-6 years. Complications included development of tough vascularized retroprosthetic membrane (4 eyes) and infective endophthalmitis in one eye. Conclusion: The intermediate-term outcome of keratoprosthesis surgery in ...

  14. 2,6-Bis(9-ethyl-9H-carbazolylmethylenecyclohexanone

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2009-10-01

    Full Text Available The title compound, 2,6-bis(ethyl-9-ethyl-9H-carbazolylmethylenecyclohexanone has been synthesized by condensation of 9-ethylcarbazole-3-aldehyde and cyclohexanone in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

  15. C6/36 Aedes albopictus cells have a dysfunctional antiviral RNA interference response.

    Directory of Open Access Journals (Sweden)

    Doug E Brackney

    2010-10-01

    Full Text Available Mosquitoes rely on RNA interference (RNAi as their primary defense against viral infections. To this end, the combination of RNAi and invertebrate cell culture systems has become an invaluable tool in studying virus-vector interactions. Nevertheless, a recent study failed to detect an active RNAi response to West Nile virus (WNV infection in C6/36 (Aedes albopictus cells, a mosquito cell line frequently used to study arthropod-borne viruses (arboviruses. Therefore, we sought to determine if WNV actively evades the host's RNAi response or if C6/36 cells have a dysfunctional RNAi pathway. C6/36 and Drosophila melanogaster S2 cells were infected with WNV (Flaviviridae, Sindbis virus (SINV, Togaviridae and La Crosse virus (LACV, Bunyaviridae and total RNA recovered from cell lysates. Small RNA (sRNA libraries were constructed and subjected to high-throughput sequencing. In S2 cells, virus-derived small interfering RNAs (viRNAs from all three viruses were predominantly 21 nt in length, a hallmark of the RNAi pathway. However, in C6/36 cells, viRNAs were primarily 17 nt in length from WNV infected cells and 26-27 nt in length in SINV and LACV infected cells. Furthermore, the origin (positive or negative viral strand and distribution (position along viral genome of S2 cell generated viRNA populations was consistent with previously published studies, but the profile of sRNAs isolated from C6/36 cells was altered. In total, these results suggest that C6/36 cells lack a functional antiviral RNAi response. These findings are analogous to the type-I interferon deficiency described in Vero (African green monkey kidney cells and suggest that C6/36 cells may fail to accurately model mosquito-arbovirus interactions at the molecular level.

  16. 4-Bromoanilinium perchlorate 18-crown-6 clathrate

    Directory of Open Access Journals (Sweden)

    Min Guo

    2010-11-01

    Full Text Available The reaction of 4-bromoaniline, 18-crown-6, and perchloric acid in methanol yields the title compound, C6H7BrN+·ClO4−·C12H24O6, in which the protonated –NH3+ group forms three bifurcated N—H...O hydrogen bonds to the O atoms of the crown ether.

  17. Cucurbit[6]uril p-xylylenediammonium diiodide decahydrate inclusion complex

    Directory of Open Access Journals (Sweden)

    Wei-Hao Huang

    2008-07-01

    Full Text Available The title inclusion complex, C36H36N24O12·C8H14N22+·2I−·10H2O, displays a large ellipsoidal deformation of the cucurbit[6]uril (CB[6] skeleton upon complex formation. The benzene ring of the cation is rotationally disordered between two orientations in a ratio of 3:1. The solvent H2O molecules form a hydrogen-bonded network by interaction with the carbonyl groups of CB[6] and the I− counterions. The crystal studied exhibited non-merohedral twinning. Both CB[6] and the cation are centrosymmetric.

  18. Structure-based virtual screening and characterization of a novel IL-6 antagonistic compound from synthetic compound database

    Directory of Open Access Journals (Sweden)

    Wang J

    2016-12-01

    Full Text Available Jing Wang,1,* Chunxia Qiao,1,* He Xiao,1 Zhou Lin,1 Yan Li,1 Jiyan Zhang,1 Beifen Shen,1 Tinghuan Fu,2 Jiannan Feng1 1Department of Molecular Immunology, Beijing Institute of Basic Medical Sciences, 2First Affiliated Hospital of PLA General Hospital, Beijing, People’s Republic of China *These authors contributed equally to this work Abstract: According to the three-dimensional (3D complex structure of (hIL-6·hIL-6R·gp 1302 and the binding orientation of hIL-6, three compounds with high affinity to hIL-6R and bioactivity to block hIL-6 in vitro were screened theoretically from the chemical databases, including 3D-Available Chemicals Directory (ACD and MDL Drug Data Report (MDDR, by means of the computer-guided virtual screening method. Using distance geometry, molecular modeling and molecular dynamics trajectory analysis methods, the binding mode and binding energy of the three compounds were evaluated theoretically. Enzyme-linked immunosorbent assay analysis demonstrated that all the three compounds could block IL-6 binding to IL-6R specifically. However, only compound 1 could effectively antagonize the function of hIL-6 and inhibit the proliferation of XG-7 cells in a dose-dependent manner, whereas it showed no cytotoxicity to SP2/0 or L929 cells. These data demonstrated that the compound 1 could be a promising candidate of hIL-6 antagonist. Keywords: virtual screening, structural optimization, human interlukin-6, small molecular antagonist, XG-7 cells, apoptosis

  19. Synthesis and characterization of novel substituted 3,6-bis(2-pyridyl)pyridazine metal-coordinating ligands

    NARCIS (Netherlands)

    Hoogenboom, R.; Kickelbick, G.; Schubert, U.S.

    2003-01-01

    The synthesis of novel functionalized 3,6-di(2-pyridyl)pyridazines via an inverse electron demand Diels-Alder reaction between the corresponding 3,6-di(2-pyridyl)-1,2,4,5-tetrazine and various alkynes is reported. The resulting 3,6-di(2-pyridyl)pyridazines were investigated using X-ray

  20. Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)

    International Nuclear Information System (INIS)

    Freitas, Vera L.S.; Gomes, José R.B.; Ribeiro da Silva, Maria D.M.C.

    2012-01-01

    Highlights: ► Energetics of 9-R-xanthene derivatives (R=OH, COOH, CONH 2 ). ► Δ f H m o (cr) of three xanthenes derivatives was measured by static bomb calorimetry. ► Δ cr g H m o of xanthenes derivatives was derived Knudsen effusion technique. ► Molecular orbital calculations for xanthene derivatives were done by G3(MP2)//B3LYP. - Abstract: In the present work, the standard (p° = 0.1 MPa) molar enthalpies of formation of xanthydrol, 9-xanthenecarboxylic acid and 9-xanthenecarboxamide, in the gaseous state, at T = 298.15 K, were determined by experimental and computational studies. The experimental techniques used were the static-bomb combustion calorimetry, which enabled the determination of the standard molar enthalpy of formation, in the crystalline state, and the vacuum drop microcalorimetric and the Knudsen effusion techniques used to derive the enthalpy of sublimation. For comparison purposes, we performed standard ab initio molecular orbital calculations, using the G3(MP2)//B3LYP composite procedure, of the enthalpies of several homodesmotic reactions, allowing to extract the standard molar enthalpies of formation, in the gaseous state, of the three xanthene derivatives considered in this work. The calculated results are in good agreement with the experimental data.

  1. 1,1′-{1,4-Phenylene bis[3-(6-chloro-2-methyl-4-phenylquinolin-3-yl-4,5-dihydro-1H-pyrazole-5,1-diyl]}dibutan-1-one

    Directory of Open Access Journals (Sweden)

    Allaoua Kedjadja

    2015-10-01

    Full Text Available A new polycyclic compound, 1,1′-{1,4-phenylene bis[3-(6-chloro-2-methyl-4-phenylquinolin-3-yl-4,5-dihydro-1H-pyrazole-5,1-diyl]}dibutan-1-one (3 has been synthesized by cyclocondensation of (2E,2′E-1,1′-bis(6-chloro-2-methyl-4-phenylquinolin-3-yl-3,3′-(1,4-phenylenediprop-2-en-1-one (2 and hydrazine hydrate in butanoic acid. The structure of this compound was established by elemental analysis, 1H-NMR, 13C-NMR, mass and IR spectroscopy.

  2. (1R,3R,4R,6S-4-(7-Methoxy-2-oxo-2H-chromen-6-yl-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate

    Directory of Open Access Journals (Sweden)

    Wong Phakhodee

    2012-12-01

    Full Text Available In the title compound, C17H16O7, which was isolated from the leaves of Micromelum integerrimum, the furan ring adopts an envelope conformation with the O atom as the flap. An intramolecular C—H...O hydrogen bond occurs. The carbonyl O atom is disordered in a 0.57 (8:0.43 (8 ratio. In the crystal, molecules are linked by weak C—H...O hydrogen bonds into a C(10 chain along [010].

  3. Known-Item Online Searches Employed by Scholars Using Surname Plus First, or Last, or First and Last Title Words.

    Science.gov (United States)

    Kilgour, Frederick G.

    2001-01-01

    This experiment explores the effectiveness of retrieving the listing of a known-item book from the 3.6 million entry online catalog at the library of the University of Michigan using various combinations of author's name plus first and last title words. Discusses implications for the design of OPAC (online public access catalog) screens.…

  4. Low-temperature, high yield synthesis, and convenient isolation of the high-electron-density cluster compound Ta6Br14.8H2O for use in biomacromolecular crystallographic phase determination.

    Science.gov (United States)

    Hay, Daniel N T; Messerle, Louis

    2002-09-01

    Reduction of TaBr(5) with Ga in the presence of KBr in a sealed borosilicate ampule at 400 degrees, followed by aqueous Soxhlet extraction and addition of stannous bromide and hydrobromic acid to the extract, yielded Ta(6)Br(14).8H(2)O in 80-84% yield. The new procedure provides a convenient, low temperature, high yield route to the synthesis of the title compound from inexpensive precursors.

  5. N-(2,6-Dimethylphenylsuccinamic acid

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available In the amide segment of the title compound, C12H15NO3 {systematic name: 3-[(2,6-dimethylphenylaminocarbonyl]propionic acid}, the N—H and C=O bonds are anti to each other. The molecules are packed into a two-dimensional array via N—H...O and O—H...O hydrogen bonds.

  6. Poly[bis(N,N-dimethylformamidetris(μ4-trans-stilbene-4,4′-dicarboxylatotricadmium(II]: a two-dimensional network with an unusual 36 topology

    Directory of Open Access Journals (Sweden)

    Gyungse Park

    2008-07-01

    Full Text Available In the title compound, [Cd3(C16H10O43(C3H7NO2]n or [Cd3(SDA3(DMF2]n (H2SDA is trans-stilbene-4,4′-dicarboxylic acid and DMF is dimethylformamide, the linear dicarboxylate ligand forms a two-dimensionally layered metal–organic network with the relatively uncommon 36 topology. The structure reveals trinuclear secondary building units and has an octahedral geometry at a central metal ion (occupying a overline{3} symmetry site and tetrahedral geometries at two surrounding symmetrically equivalent metal ions lying on a threefold axis. The six-connected planar trinuclear CdII centers, Cd3(O2CR6, play a role as potential nodes in generation of the relatively uncommon 36 topology. The coordinated DMF unit is disordered around the threefold axis.

  7. Poly(3,6-diamino-9-ethylcarbazole) based molecularly imprinted polymer sensor for ultra-sensitive and selective detection of 17-β-estradiol in biological fluids.

    Science.gov (United States)

    Liu, Weilu; Li, Haifeng; Yu, Shangmin; Zhang, Jiaxing; Zheng, Weihua; Niu, Liting; Li, Gengen

    2018-05-01

    In this work, we reported the synthesis of 3, 6-diamino-9-ethylcarbazole and its application as a new monomer for preparation of molecularly imprinted polymer (MIP) electrochemical sensor. The as prepared MIP sensor exhibited ultrahigh sensitivity and selectivity for the detection of 17-β-estradiol in attomolar levels (1 × 10 -18 molL -1 ). The sensor works by detecting the change of the interfacial impedance that is derived from recognition of 17-β-estradiol on the MIP layer. The MIP sensor based on 3, 6-diamino-9-ethylcarbazole monomer revealed better performance than that of unmodified carbazole monomer. The monomer/template ratio, electropolymerization scanning cycles, and the incubation pH values were optimised in order to obtain the best detection efficiency. Under the optimised condition, the MIP sensor exhibits a wide linear range from 1aM to 10μM (1 × 10 -18 ̶ 1 × 10 -5 molL -1 ). A low detection limit of 0.36aM (3.6 × 10 -19 molL -1 ) and a good selectivity towards structurally similar compounds were obtained. The proposed MIP sensor also exhibits long-term stability and applicability in human serum samples. These advantages enabled this MIP sensor to be a promising alternative of electrochemical sensor and may be extended to detection of other endogenous compounds. Copyright © 2018 Elsevier B.V. All rights reserved.

  8. Dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate

    Directory of Open Access Journals (Sweden)

    Deming Zhao

    2010-04-01

    Full Text Available The title compound, C10H10O6, was obtained from an esterification reaction of 2,6-dihydroxyterephthalic acid and methanol. In the molecular structure, all of the C atoms are nearly coplanar. The two hydroxy groups have C2 symmetry. Intramolecular O—H...O hydrogen bonds are observed. In the crystal, weak O—H...O interactions link the molecules.

  9. Associations between damage location and five main body region injuries of MAIS 3-6 injured occupants.

    Science.gov (United States)

    Tang, Youming; Cao, Libo; Kan, Steven

    2014-05-08

    To examine the damage location distribution of five main body region injuries of maximum abbreviated injury score (MAIS) 3-6 injured occupants for nearside struck vehicle in front-to-side impact crashes. MAIS 3-6 injured occupants information was extracted from the US-National Automotive Sampling System/Crashworthiness Data System in the year 2007; it included the head/face/neck, chest, pelvis, upper extremity and lower extremity. Struck vehicle collision damage was classified in a three-dimensional system according to the J224 Collision Deformation Classification of SAE Surface Vehicle Standard. Nearside occupants seated directly adjacent to the struck side of the vehicle with MAIS 3-6 injured, in light truck vehicles-passenger cars (LTV-PC) side impact crashes. Distribution of MAIS 3-6 injured occupants by body regions and specific location of damage (lateral direction, horizontal direction and vertical direction) were examined. Injury risk ratio was also assessed. The lateral crush zone contributed to MAIS 3-6 injured occupants (n=705) and 50th centile injury risks when extended into zone 3. When the crush extended to zone 4, the injury risk ratio of MAIS 3-6 injured occupants approached 81%. The horizontal crush zones contributing to the highest injury risk ratio of MAIS 3-6 occupants were zones 'D' and 'Y', and the injury risk ratios were 25.4% and 36.9%, respectively. In contrast, the lowest injury risk ratio was 5.67% caused by zone 'B'. The vertical crush zone which contributed to the highest injury risk ratio of MAIS 3-6 occupants was zone 'E', whose injury risk ratio was 58%. In contrast, the lowest injury risk ratio was 0.14% caused by zone 'G+M'. The highest injury risk ratio of MAIS 3-6 injured occupants caused by crush intrusion between 40 and 60 cm in LTV-PC nearside impact collisions and the damage region of the struck vehicle was in the zones 'E' and 'Y'.

  10. Islet autoantibodies and residual beta cell function in type 1 diabetes children followed for 3-6 years

    DEFF Research Database (Denmark)

    Sørensen, Jesper Sand; Vaziri-Sani, Fariba; Maziarz, M

    2012-01-01

    To test if islet autoantibodies at diagnosis of type 1 diabetes (T1DM) and after 3-6 years with T1D predict residual beta-cell function (RBF) after 3-6 years with T1D.......To test if islet autoantibodies at diagnosis of type 1 diabetes (T1DM) and after 3-6 years with T1D predict residual beta-cell function (RBF) after 3-6 years with T1D....

  11. The EQ3/6 software package for geochemical modeling: Current status

    International Nuclear Information System (INIS)

    Worlery, T.J.; Jackson, K.J.; Bourcier, W.L.; Bruton, C.J.; Viani, B.E.; Knauss, K.G.; Delany, J.M.

    1988-07-01

    EQ3/6 is a software package for modeling chemical and mineralogic interactions in aqueous geochemical systems. The major components of the package are EQ3NR (a speciation-solubility code), EQ6 (a reaction path code), EQLIB (a supporting library), and a supporting thermodynamic data base. EQ3NR calculates aqueous speciation and saturation indices from analytical data. It can also be used to calculate compositions of buffer solutions for use in laboratory experiments. EQ6 computes reaction path models of both equilibrium step processes and kinetic reaction processes. These models can be computed for closed systems and relatively simple open systems. EQ3/6 is useful in making purely theoretical calculations, in designing, interpreting, and extrapolating laboratory experiments, and in testing and developing submodels and supporting data used in these codes. The thermodynamic data base supports calculations over the range 0-300 degree C. 60 refs., 2 figs

  12. The EQ3/6 software package for geochemical modeling: Current status

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.; Jackson, K.J.; Bourcier, W.L.; Bruton, C.J.; Viani, B.E.; Knauss, K.G.; Delany, J.M.

    1988-07-01

    EQ3/6 is a software package for modeling chemical and mineralogic interactions in aqueous geochemical systems. The major components of the package are EQ3NR (a speciation-solubility code), EQ6 (a reaction path code), EQLIB (a supporting library), and a supporting thermodynamic data base. EQ3NR calculates aqueous speciation and saturation indices from analytical data. It can also be used to calculate compositions of buffer solutions for use in laboratory experiments. EQ6 computes reaction path models of both equilibrium step processes and kinetic reaction processes. These models can be computed for closed systems and relatively simple open systems. EQ3/6 is useful in making purely theoretical calculations, in designing, interpreting, and extrapolating laboratory experiments, and in testing and developing submodels and supporting data used in these codes. The thermodynamic data base supports calculations over the range 0-300{degree}C. 60 refs., 2 figs.

  13. DIPYRIDOXYL(1,8-DIAMINO-3,6-DIOXAOCTANE) SCHIFF-BASE

    African Journals Online (AJOL)

    Preferred Customer

    KEY WORDS: Schiff base, N,N′-dipyridoxyl(1,8-diamino-3,6-dioxaoctane), DFT, B3LYP. INTRODUCTION. Schiff bases due to structural varieties and unique characteristics are the most versatile studied ligands in coordination chemistry [1, 2] and their metal complexes play an important role in the development of inorganic ...

  14. Crystal structure of the Hg4SiS6 and Hg4SiSe6 compounds

    International Nuclear Information System (INIS)

    Gulay, L.D.; Olekseyuk, I.D.; Parasyuk, O.V.

    2002-01-01

    The crystal structures of Hg 4 SiS 6 and Hg 4 SiSe 6 compounds were investigated using X-ray powder diffraction. These compounds crystallize in the monoclinic Cc space group with the lattice parameters a=1.23020(5), b=0.71031(4), c=1.22791(4) nm, β=109.721(3) deg. for Hg 4 SiS 6 and a=1.28110(4), b=0.74034(4), c=1.27471(1) nm, β=109.605(3) deg. for Hg 4 SiSe 6 . Atomic parameters were refined in the isotropic approximation (R I =0.0571 and R I =0.0555 for the Hg 4 SiS 6 and Hg 4 SiSe 6 , respectively)

  15. Tris(dibenzoylmethanido-κ2O,O′[(6S,8S-(+-7,7-dimethyl-3-(2-pyridyl-5,6,7,8-tetrahydro-6,8-methanoisoquinoline-κ2N,N′]gadolinium(III

    Directory of Open Access Journals (Sweden)

    Xi-Li Li

    2009-09-01

    Full Text Available In the title compound, [Gd(C15H11O23(C17H18N2], the GdIII atom is coordinated by six O atoms from three β-diketonate ligands and two N atoms from a chiral ligand LS,S-(+-7,7-dimethyl-3-(2-pyridyl-5,6,7,8-tetrahydro-6,8-methanoisoquinoline, in a coordination geometry best described as distorted square-antiprismatic.

  16. 36 CFR 6.6 - Solid waste disposal sites within new additions to the National Park System.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Solid waste disposal sites... NATIONAL PARK SERVICE, DEPARTMENT OF THE INTERIOR SOLID WASTE DISPOSAL SITES IN UNITS OF THE NATIONAL PARK SYSTEM § 6.6 Solid waste disposal sites within new additions to the National Park System. (a) An operator...

  17. 29 CFR 3.6 - Payroll deductions permissible with the approval of the Secretary of Labor.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Payroll deductions permissible with the approval of the Secretary of Labor. 3.6 Section 3.6 Labor Office of the Secretary of Labor CONTRACTORS AND SUBCONTRACTORS ON....6 Payroll deductions permissible with the approval of the Secretary of Labor. Any contractor or...

  18. Development and Evaluation of the Biogenic Emissions Inventory System (BEIS) Model v3.6

    Science.gov (United States)

    We have developed new canopy emission algorithms and land use data for BEIS v3.6. Simulations with BEIS v3.4 and BEIS v3.6 in CMAQ v5.0.2 are compared these changes to the Model of Emissions of Gases and Aerosols from Nature (MEGAN) and evaluated the simulations against observati...

  19. Изучение фазовых равновесий в четверных системах Co(NH2)2 - NH4Cl - (NH4)2SO4 - H2O и Co(NH2)2 - NH4Cl - (NH4)2HPO4 - H2O при 25C° оптимизированным методом сечений

    OpenAIRE

    Носков, М.; Мазунин, С.

    2012-01-01

    Оптимизированным методом сечений впервые были изучены фазовые равновесия в четверных системах CO(NH2)2 − NH4Cl − (NH4)2SO4 − H2O и CO(NH2)2 − NH4Cl − (NH4)2HPO4 − H2O и оконтуривающих трехкомпонентных системах CO(NH2)2 − NH4Cl − H2O (с образованием инконгруэнтно растворимого химического соединения), CO(NH2)2 − (NH4)2SO4 − H2O и CO(NH2)2 − (NH4)2HPO4 − H2O (изотермы простого эвтонического типа) при 25°C. Установлены составы равновесных жидких и твердых фаз, находящихся в эвтоническом и перитон...

  20. 1,2-Bis(2-methoxy-6-formylphenoxyethane

    Directory of Open Access Journals (Sweden)

    Hongqi Li

    2011-02-01

    Full Text Available In the title compound [systematic name: 3,3′-dimethoxy-2,2′-(ethane-1,2-diyldioxydibenzaldehyde], C18H18O6, prepared from 1,2-dibromoethane and ortho-vanillin in the presence of sodium carbonate, the two vanillin units are linked via a CH2–CH2 bridge. The two benzene rings are inclined at a dihedral angle of 41.6 (5°.

  1. (E-3-Methyl-6-(3-oxo-3-(thiophen-2-yl-1-propenyl-2(3H-benzothiazolone

    Directory of Open Access Journals (Sweden)

    Yordanka Ivanova

    2016-04-01

    Full Text Available The title compound, (E-3-methyl-6-(3-oxo-3-(thiophen-2-yl-1-propenyl-2(3H-benzothiazolone, was synthesized by Claisen-Schmidt condensation of 3-methyl-2(3H-benzothiazolone-6-carbaldehyde with 2-acetylthiophene in 94% yield. The structure of the target compound was confirmed using 1H-NMR, 13C-NMR, IR, MS, and elemental analysis.

  2. Classroom Museums: Touchable Tables for Kids Grades 3-6.

    Science.gov (United States)

    Marx, Pamela

    This book provides ideas for table exhibits for grades 3-6 in nine different subject areas. These areas are: marine life; nature in the backyard; the history and uses of flags; impressionist painters and art; winter festivals around the world; fibers and fabrics; Native Americans in touch with the land; sugar and chocolate; and keeping the earth,…

  3. 36 CFR 1236.6 - What are agency responsibilities for electronic records management?

    Science.gov (United States)

    2010-07-01

    ... § 1236.6 What are agency responsibilities for electronic records management? Agencies must: (a... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false What are agency responsibilities for electronic records management? 1236.6 Section 1236.6 Parks, Forests, and Public Property...

  4. Synthesis, spectral characterization and anti-microbial activity of 6- Substituted [(2-aminoethylamino]-6λ 5-dibenzo [d, h] [1, 3,6,2]oxathiaza- phosphonin-6-ones

    Directory of Open Access Journals (Sweden)

    Chinta Raveendra Reddy

    2011-01-01

    Full Text Available Synthesis of a series of a new class of phosphorus macrocycles was accomplished in two steps by condensation of (Z-2-((2-mercaptophenylimino methyl phenol (1 with phosphorus oxychloride (2 in dry THF in the presence of triethylamine at 0-5 °C. In the second step ethylene diols/ amino alcohols/ diamine/ aminothiols/ phenols were reacted at room temperature in THF to afford the title compounds (5a-l. The chemical structures of the title products were characterized by IR, 1H, 13C, 31P-NMR, mass spectral studies and elemental analysis. All the title compounds were evaluated for antimicrobial activity to determine their efficacy and they were found role effective in suppressing the growth of bacteria and fungi.

  5. Structure-Activity Analysis of Vinylogous Urea Inhibitors of Human Immunodeficiency Virus-Encoded Ribonuclease H ▿

    OpenAIRE

    Chung, Suhman; Wendeler, Michaela; Rausch, Jason W.; Beilhartz, Greg; Gotte, Matthias; O'Keefe, Barry R.; Bermingham, Alun; Beutler, John A.; Liu, Shixin; Zhuang, Xiaowei; Le Grice, Stuart F. J.

    2010-01-01

    Vinylogous ureas 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide and N-[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]-2-furancarboxamide (compounds 1 and 2, respectively) were recently identified to be modestly potent inhibitors of the RNase H activity of HIV-1 and HIV-2 reverse transcriptase (RT). Both compounds shared a 3-CONH2-substituted thiophene ring but were otherwise structurally unrelated, which prevented a precise definition of the pharmacophore. We have therefore exa...

  6. Vibrational Spectroscopy Investigation Using Ab Initio and Density Functional Theory Analysis on the Structure of tert-Butyl 3a-Chloroperhydro-2,6a-epoxyoxireno[e]isoindole-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Hakan Arslan

    2013-01-01

    Full Text Available The molecular structure, vibrational frequencies, and infrared intensities of the tert-butyl 3a-chloroperhydro-2,6a-epoxyoxireno[e]isoindole-5-carboxylate were calculated by the HF and DFT (BLYP and B3LYP methods using 6-31G(d and 6-31G(d,p basis sets. The FT infrared spectrum of the solid sample was measured under standard condition. We obtained two stable conformers for the title compound; however Conformer 1 is approximately 0.2 kcal/mol more stable than the Conformer 2. The comparison of the theoretical and experimental geometry of the title compound shows that the X-ray parameters fairly well reproduce the geometry of Conformer 2. Comparison of the observed fundamental vibrational frequencies of the title molecule and calculated results by HF and DFT methods indicates that B3LYP is superior for molecular vibrational problems. The harmonic vibrations computed by the B3LYP/6-31G(d,p method are in a good agreement with the observed IR spectral data. Theoretical vibrational spectra of the title compound were interpreted by means of potential energy distributions (PEDs using VEDA 4 program.

  7. Browse Title Index

    African Journals Online (AJOL)

    Issue, Title. Vol 20, No 1 (2015), Assessment of iron status among preschool children (6 to 59 months) with and without malaria in Western Province, Kenya, Abstract. I Kisiangani, C Mbakaya, A Makokha, D Magu. Vol 20, No 1 (2015), Assessment of iron status among preschool children (6 to 59 months) with and without ...

  8. Synthesis and anti-lung cancer activity of a novel arsenomolybdate compound

    Science.gov (United States)

    Zhu, Tian-Tian; Wang, Juan; Chen, Song-Hu

    2017-12-01

    The new compound based on Wells-Dawson-type arsenomolybdate: [{Cu10(pz)11Cl4}{As2IIIAs2VMo6VMo12VIO62}]·H2O (1) has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction analysis, X-ray powder diffraction (XRPD), XPS spectroscopy and thermogravimetric analysis (TG). Compound 1 is consisted of two As caps Wells-dawson-type arsenomolybdate and {Cu10(py)11} complexes by chloride bridge. In addition, the antitumor effects of the title compound 1 were studied on three human lung cancer cells (A549, SK-LU-1 and SW1573). The results showed that compared with the positive reference drug carboplatin, compound 1 displayed efficient antitumor activity.

  9. 9-(3-Bromo-5-chloro-2-hydroxyphenyl-10-(2-hydroxyethyl-3,6-diphenyl-3,4,9,10-tetrahydroacridine-1,8(2H,5H-dione

    Directory of Open Access Journals (Sweden)

    Mehmet Akkurt

    2014-06-01

    Full Text Available In the title compound, C33H27BrClNO4, the dihydropyridine ring adopts a flattened boat conformation. The molecular conformation is stabilized by an intramolecular O—H...O hydrogen bond, with an S(8 ring motif. In the crystal, O—H...O, C—H...O and C—H...Cl hydrogen bonds, and C—H...π interactions link the molecules, forming a three-dimensional network. In the acridinedione ring system, the two ring C atoms at the 2- and 3-positions, and the C atom at the 6-position and the atoms of the phenyl ring attached to the C atom at the 6-position are disordered over two sets of sites with occupancy ratios of 0.783 (5:0.217 (5 and 0.526 (18:0.474 (18, respectively.

  10. 50 CFR 36.12 - Use of snowmobiles, motorboats, dog teams and other means of surface transportation traditionally...

    Science.gov (United States)

    2010-10-01

    ... 50 Wildlife and Fisheries 6 2010-10-01 2010-10-01 false Use of snowmobiles, motorboats, dog teams... Subsistence Uses § 36.12 Use of snowmobiles, motorboats, dog teams and other means of surface transportation... provision of subchapter C of title 50 CFR the use of snowmobiles, motorboats, dog teams and other means of...

  11. 2,6-Diaminopyridinium bis(4-hydroxypyridine-2,6-dicarboxylato-κ3O2,N,O6ferrate(III dihydrate

    Directory of Open Access Journals (Sweden)

    Andya Nemati

    2008-10-01

    Full Text Available The reaction of iron(II sulfate heptahydrate with the proton-transfer compound (pydaH(hypydcH (pyda = pyridine-2,6-diamine; hypydcH2 = 4-hydroxypyridine-2,6-dicarboxylic acid in an aqueous solution led to the formation of the title compound, (C5H8N3[Fe(C7H3NO52]·2H2O. The anion is a six-coordinated complex with a distorted octahedral geometry around the FeIII atom. Extensive intermolecular O—H...O, N—H...O and C—H...O hydrogen bonds, involving the complex anion, (pydaH+ counter-ion and two uncoordinated water molecules, and π–π [centroid-to-centroid distance 3.323 (11 Å] and C—O...π [O–centroid distance 3.150 (15 Å] interactions connect the various components into a supramolecular structure.

  12. 6-Peroxo-6-zirconium crown and its hafnium analogue embedded in a triangular polyanion: [M6(O2)6(OH)6(gamma-SiW10O36)3]18- (M = Zr, Hf).

    Science.gov (United States)

    Bassil, Bassem S; Mal, Sib Sankar; Dickman, Michael H; Kortz, Ulrich; Oelrich, Holger; Walder, Lorenz

    2008-05-28

    We have synthesized and structurally characterized the unprecedented peroxo-zirconium(IV) containing [Zr6(O2)6(OH)6(gamma-SiW10O36)3]18- (1). Polyanion 1 comprises a cyclic 6-peroxo-6-zirconium core stabilized by three decatungstosilicate units. We have also prepared the isostructural hafnium(IV) analogue [Hf6(O2)6(OH)6(gamma-SiW10O36)3]18- (2). We investigated the acid/base and redox properties of 1 by UV-vis spectroscopy and electrochemistry studies. Polyanion 1 represents the first structurally characterized Zr-peroxo POM with side-on, bridging peroxo units. The simple, one-pot synthesis of 1 and 2 involving dropwise addition of aqueous hydrogen peroxide could represent a general procedure for incorporating peroxo groups into a large variety of transition metal and lanthanide containing POMs.

  13. Tris[2,2,6,6-tetramethyl-8-(trimethylsilylbenzo[1,2-d;4,5-d′]bis(1,3-dithiol-4-yl]methanol diethyl ether monosolvate

    Directory of Open Access Journals (Sweden)

    Nico Fleck

    2018-04-01

    Full Text Available The title compound, a triarylmethanol, C46H64OS12Si3 1, was synthesized via lithiation of tris-2,2,6,6-tetramethylbenzo[1,2-d;4,5-d′]bis[1,3]dithiol-4-yl-methanol, 2, and electrophilic quenching with trimethylsilyl chloride. The current crystal structure reveals information about the reactivity of this compound and compares well with the structure reported for the unsubstituted parent compound 2 [Driesschaert et al. (2012. Eur. J. Org. Chem. 33, 6517–6525]. The title compound 1 forms molecular propellers and crystallizes in P\\overline{1}, featuring an unusually long Si—Car bond of 1.910 (3 Å. Moreover, the geometry at the central quaternary carbon is rather trigonal-pyramidal than tetrahedral due to vast intramolecular stress. One trimethylsilyl group is disordered over two positions in a 0.504 (4:0.496 (4 ratio and one S atom is disordered over two positions in a 0.509 (7:0.491 (7 ratio. The contribution of disordered diethyl ether solvent molecule(s was removed using the PLATON SQUEEZE (Spek, 2015 solvent masking procedure. These solvent molecules are not considered in the given chemical formula and other crystal data.

  14. 2-Methoxy-4,6-diphenylnicotinonitrile

    Directory of Open Access Journals (Sweden)

    Joel T. Mague

    2014-02-01

    Full Text Available In the title compound, C19H14N2O, the phenyl rings form dihedral angles of 10.90 (10 and 42.14 (6° with pyridine ring and an angle of 35.7 (2° with each other. The orientation of the methoxy group is defined by the C—O—C—N torsion angle of 4.9 (2°.

  15. 3,6-Dimethoxy-6″,6″-Dimethyl-(7,8,2″,3″)-Chromeneflavone, a Flavonoid Isolated from Lonchocarpus Araripensis Benth. (Fabaceae), Reduces Nociceptive Behaviour in Mice.

    Science.gov (United States)

    Almeida, Jackson R G S; Silva, Juliane C; Guimarães, Amanda L; Oliveira, Ana P; Souza, Grasielly R; Oliveira-Júnior, Raimundo G; Lima-Saraiva, Sarah R G; Barbosa-Filho, José M; Braz-Filho, Raimundo; Queiroz, Dinalva Brito; Botelho, Marco Antônio

    2015-10-01

    Lonchocarpus araripensis Benth. is largely distributed in the northeast region of Brazil. It is popularly known as 'sucupira'. Recent studies have shown that some species of Lonchocarpus have interesting pharmacological activities. In this study, we evaluated the antinociceptive effect of a flavone isolated from L. araripensis. The chemical examination resulted in the isolation of 3,6-dimethoxy-6″,6″-dimethyl-(7,8,2″,3″)-chromeneflavone (DDF). The structure of the compound was established by spectral analysis. Antinociceptive activity of DDF was evaluated by measuring nociception by acetic acid, formalin and hot plate tests. The rota rod test was used to evaluate motor coordination. The results demonstrated that DDF was able to prevent acetic-acid-writhing-induced nociception (p < 0.001) in mice. Furthermore, DDF produced a significant reduction of the nociceptive behaviour at the early and late phases of paw licking in the formalin test. Also, DDF produced an inhibition of the nociceptive behaviour during a hot-plate test. No alteration in motor coordination was observed. These results confirm the hypothesis that DDF reduces the nociceptive behaviour in mice, probably through central mechanisms, but without compromising the motor coordination of animals. Copyright © 2015 John Wiley & Sons, Ltd.

  16. Browse Title Index

    African Journals Online (AJOL)

    Items 51 - 100 of 103 ... Issue, Title ... SE Edusah, E Osei-Tutu ... Vol 6, No 2 (2016), Interrelationships among unemployment, inflation and economic growth in Nigeria, Abstract .... Vol 4, No 3 (2014): Special Edition, Socio-cultural Issues for ...

  17. Childcare practices and nutritional status of children aged 6-36 ...

    African Journals Online (AJOL)

    A comparative cross-sectional study was carried out to compare childcare practices and nutritional status of children aged 636 months in Mwembesongo and Mjimpya wards that had long and short experiences respectively with the Child Survival, Protection and Development (CSPD) programme. The purpose of the study ...

  18. A novel synthesis of octahydropyrido[3,2-c]carbazole framework of aspidospermidine alkaloids and a combined computational, FT-IR, NMR, NBO, NLO, FMO, MEP study of the cis-4a-Ethyl-1-(2hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole

    Science.gov (United States)

    Uludağ, Nesimi; Serdaroğlu, Goncagul; Yinanc, Abdullah

    2018-06-01

    In this study, we performed a novel synthesis of the octahydropyrido[3,2-c]carbazole derivative 6 from 1 in five steps with a 34% overall yield. We also developed a unique compound 2 by a cyclization reaction from the cyanoethylation of compound 1, which is an intermediate step in the synthesis of Aspidospermidine. The parent compound of Aspidospermidine alkaloids, comprise a large family of diverse structures. As a result, we obtained octahydropyrido[3,2-c]carbazole (6)and the proposed method may be applicable to other alkaloids. All quantum chemical calculations of the cis-4a-Ethyl-1-(2-hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole have been performed with the DFT/B3LYP and HF methods by using the Gaussian 09W software package. The most stable conformer obtained from the Potential Energy Surface (PES) scan analysis at the B3LYP/6-31G** level of theory in the gas phase was used as the starting structure of the title compound to further computational analysis. The Natural Bond Orbital (NBO) and NLO analyses were performed to evaluate the intra-molecular interactions contributing to the molecular stability and to predict the optical properties of the title compound, respectively. Gauge-Independent Atomic Orbital (GIAO) approach was used to determine the 1H and 1C NMR chemical shifts of the title compound by subtracting the shielding constants of TMS at both methods. The calculated vibrational frequencies of the title compound were assigned by using the VEDA program and were scaled down by using the scaling factor 0.9668 for B3LYP/6-311++G(d, p) and 0.9050 for HF/6-311++G(d, p) to improve the calculated vibrational frequencies. The FMO (frontier molecular orbital) analysis was evaluated to predict the chemical and physical properties of the title compound and the HOMO, LUMO, and MEP diagrams were visualized by GaussView 4.1 program to present the reactive site of the title compound.

  19. 5,6-Dipropylphthalazino[2,3-a]cinnoline-8,13-dione

    Directory of Open Access Journals (Sweden)

    G. Vimala

    2016-04-01

    Full Text Available In the title compound, C22H22N2O2, the two central fused pyridazine rings have screw-boat conformations and the dihedral angle between their mean planes is 36.22 (8°. The mean plane of the cinnoline ring system makes a dihedral angle of 46.56 (5° with the mean plane of the phthalazine ring to which it is fused. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming chains along the b axis. The chains are reinforced by C—H...π interactions.

  20. 3.6-m Devasthal Optical Telescope Project: Completion and first results

    Science.gov (United States)

    Kumar, Brijesh; Omar, Amitesh; Maheswar, Gopinathan; Pandey, Anil Kumar; Sagar, Ram; Uddin, Wahab; Sanwal, Basant Ballabh; Bangia, Tarun; Kumar, Tripurari Satyanarayana; Yadav, Shobhit; Sahu, Sanjit; Pant, Jayshreekar; Reddy, Bheemireddy Krishna; Gupta, Alok Chandra; Chand, Hum; Pandey, Jeewan Chandra; Joshi, Mohit Kumar; Jaiswar, Mukeshkuma; Nanjappa, Nandish; Purushottam; Yadav, Rama Kant Singh; Sharma, Saurabh; Pandey, Shashi Bhushan; Joshi, Santosh; Joshi, Yogesh Chandra; Lata, Sneh; Mehdi, Biman Jyoti; Misra, Kuntal; Singh, Mahendra

    2018-04-01

    We present an update on the 3.6-m aperture optical telescope, which has been installed at Devasthal in the year 2016. In this paper, a brief overview of installation activities at site and first results are presented. The 3.6-m Devasthal Optical Telescope project was initiated in 2007 by the Aryabhatta Research Institute of Observational Sciences (ARIES; Nainital, India) in partnership with Belgium. The telescope has Ritchey-Chretien optics, an alt-azimuth mount, an active control of the primary and a corrected science field of view of 30' at the Cassegrain focus. The construction of the telescope enclosure building was completed in June 2014 and after successful installation of the telescope. The first engineering light was obtained on 22 March 2015. The on-sky performance of the telescope was carried out till February 2016.

  1. (N,N,N′,N′-Tetramethylethylenediamine-κNbis(2,4,6-trimethylphenolato-κOgermanium(II

    Directory of Open Access Journals (Sweden)

    Eduard Rusanov

    2012-03-01

    Full Text Available In the title compound, [Ge(C9H11O2(C6H16N2], the GeII atom is coordinated in a distorted trigonal–pyramidal geometry by two O atoms belonging to two 2,4,6-trimethylphenolate ligands and one N atom of a tetramethylethylenediamine ligand. Comparing the structure with published data of similar compounds shows that the Ge—O bonds are covalent and the Ge—N bond is coordinated.

  2. Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis

    Directory of Open Access Journals (Sweden)

    Jonathan M. White

    2012-05-01

    Full Text Available The acid catalyzed esterification of 2,6-dimethoxybenzoic acid (1 in the presence of absolute ethanol afforded ethyl 2, 6-dimethoxybenzoate (2. The structure of the resulting compound was supported by spectroscopic data and unambiguously confirmed by single crystal X-ray diffraction studies. The title compound crystallized in the triclinic space group P ī with unit cell parameters a = 8.5518(3 Å, b = 10.8826(8 Å, c = 11.9939(6 Å, α = 101.273(5°, β = 98.287(3°, γ = 94.092(4°, V = 1077.54(10 Å3, Z = 4, Dc = 1.296 Mg/m3, F(000 = 448 and μ = 0.098 mm−1. Compound (2 crystallizes with two molecules in the asymmetric unit with similar conformations.

  3. Synthesis of 1-amino-2-[3-(3-[2,6-14C]piperidinomethylphenoxy) propylamino]-1-cyclobutene-3,4-dione hydrochloride

    International Nuclear Information System (INIS)

    Swigor, J.E.; Algieri, A.A.; Standridge, R.T.; Pittman, K.A.

    1985-01-01

    The synthesis of the title compound is described. The condensation of 3-aminopropanol with phthalic anhydride and subsequent treatment with phosphorous tribromide produced N-[3-bromopropyl] phthalimide. Acylation with 3-hydroxybenzaldehyde, reduction with hydrogen over Raney nickel and subsequent treatment with thionyl chloride gave N-[3-(3-chloromethylphenoxy) propyl] phthalimide. Treatment with [2,6 - 14 C] piperidine introduced the radiolabel. Deprotection of the amino group with hydrazine and treatment with 3-methoxy-4-amino-3-cyclobutene-1,2-dione produced 1-amino-2-[3-(3-[2,6- 14 C]piperidinomethylphenoxy) propylamino]-1-cyclobutene-3, 4-dione. Treatment with hydrochloric acid yielded the title compound in an overall chemical yield of 22%. (author)

  4. 36 CFR 1211.525 - Fringe benefits.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Fringe benefits. 1211.525... Prohibited § 1211.525 Fringe benefits. (a) “Fringe benefits” defined. For purposes of these Title IX regulations, fringe benefits means: Any medical, hospital, accident, life insurance, or retirement benefit...

  5. Hexaaquanickel(II tetraaquabis(μ-pyridine-2,6-dicarboxylatobis(pyridine-2,6-dicarboxylatotrinickelate(II octahydrate

    Directory of Open Access Journals (Sweden)

    Javad Safaei-Ghomi

    2010-08-01

    Full Text Available The title compound, [Ni(H2O6][Ni3(C7H3NO44(H2O4]·8H2O, was obtained by the reaction of nickel(II nitrate hexahydrate with pyridine-2,6-dicarboxylic acid (pydcH2 and 1,10-phenanothroline (phen in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different NiII atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H2O6]2+ cation and the trinuclear {[Ni(pydc2]2-μ-Ni(H2O4}2− anion are centrosymmetric. All NiII atoms exhibit an octahedral coordination geometry. Various interactions, including numerous O—H...O and C—H...O hydrogen bonds and C—O...π stacking of the pyridine and carboxylate groups [3.570 (1, 3.758 (1 and 3.609 (1 Å], are observed in the crystal structure.

  6. Synthesis of tritium labelled 7-dehydrocholesterol 5β, 6β-oxide

    International Nuclear Information System (INIS)

    Michaud, D.P.; Nashed, N.T.; Jerina, D.M.

    1986-01-01

    The synthesis of tritiated 7-dehydrocholesterol 5β, 6β-oxide in high specific activity is reported. Oxidation of 7α-bromo-cholesterol 5β, 6β-oxide to the 3-keto epoxide followed by borotritide reduction, in a special buffer-organic solvent system to minimize undesired rearrangement, regenerated the 3β-hydroxyl group. Base-assisted elimination produced the title compound. (author)

  7. {2,6-Bis[(di-tert-butyl-phosphino)-methyl]-phenyl}chloridonickel(II).

    Science.gov (United States)

    Boro, Brian J; Dickie, Diane A; Goldberg, Karen I; Kemp, Richard A

    2008-09-20

    In the title compound, [Ni(C(24)H(43)P(2))Cl], the Ni atom adopts a distorted square-planar geometry, with the P atoms of the 2,6-bis-[(di-tert-butyl-phosphino)meth-yl]phenyl ligand trans to one another. The P-Ni-P plane is twisted out of the plane of the aromatic ring by 21.97 (6)°.

  8. Americium thermodynamic data for the EQ3/6 database

    International Nuclear Information System (INIS)

    Kerrisk, J.F.

    1984-07-01

    Existing thermodynamic data for aqueous and solid species of americium have been reviewed and collected in a form that can be used with the EQ3/6 database. Data that are important in solubility calculations for americium at a proposed Yucca Mountain nuclear waste repository were emphasized. Conflicting data exist for americium complexes with carbonates. Essentially no data are available for americium solids or complexes at temperatures greater than 25 0 C. 17 references, 4 figures

  9. Limit on the radiative neutrinoless double electron capture of "3"6Ar from GERDA Phase I

    International Nuclear Information System (INIS)

    Agostini, M.; Balata, M.; D'Andrea, V.; Di Vacri, A.; Junker, M.; Laubenstein, M.; Allardt, M.; Domula, A.; Lehnert, B.; Schneider, B.; Wester, T.; Wilsenach, H.; Zuber, K.; Bakalyarov, A.M.; Belyaev, S.T.; Lebedev, V.I.; Zhukov, S.V.; Barabanov, I.; Bezrukov, L.; Doroshkevich, E.; Fedorova, O.; Gurentsov, V.; Kazalov, V.; Kuzminov, V.V.; Lubsandorzhiev, B.; Moseev, P.; Selivanenko, O.; Veresnikova, A.; Yanovich, E.; Barros, N.; Baudis, L.; Benato, G.; Kish, A.; Miloradovic, M.; Mingazheva, R.; Walter, M.; Bauer, C.; Hakenmueller, J.; Heisel, M.; Heusser, G.; Hofmann, W.; Kihm, T.; Kirsch, A.; Knoepfle, K.T.; Lindner, M.; Maneschg, W.; Salathe, M.; Schreiner, J.; Schwingenheuer, B.; Simgen, H.; Smolnikov, A.; Stepaniuk, M.; Wagner, V.; Wegmann, A.; Bellotti, E.; Belogurov, S.; Kornoukhov, V.N.; Bettini, A.; Brugnera, R.; Garfagnini, A.; Medinaceli, E.; Sada, C.; Sturm, K. von; Bode, T.; Csathy, J.J.; Lazzaro, A.; Schoenert, S.; Wiesinger, C.; Borowicz, D.; Brudanin, V.; Egorov, V.; Kochetov, O.; Nemchenok, I.; Rumyantseva, N.; Zhitnikov, I.; Zinatulina, D.; Caldwell, A.; Gooch, C.; Kneissl, R.; Liao, H.Y.; Majorovits, B.; Palioselitis, D.; Schulz, O.; Vanhoefer, L.; Cattadori, C.; Salamida, F.; Chernogorov, A.; Demidova, E.V.; Kirpichnikov, I.V.; Vasenko, A.A.; Falkenstein, R.; Freund, K.; Grabmayr, P.; Hegai, A.; Jochum, J.; Schmitt, C.; Schuetz, A.K.; Frodyma, N.; Misiaszek, M.; Panas, K.; Pelczar, K.; Wojcik, M.; Zuzel, G.; Gangapshev, A.; Gusev, K.; Hemmer, S.; Lippi, I.; Stanco, L.; Hult, M.; Lutter, G.; Inzhechik, L.V.; Klimenko, A.; Lubashevskiy, A.; Macolino, C.; Pandola, L.; Pullia, A.; Riboldi, S.; Shirchenko, M.

    2016-01-01

    Neutrinoless double electron capture is a process that, if detected, would give evidence of lepton number violation and the Majorana nature of neutrinos. A search for neutrinoless double electron capture of "3"6Ar has been performed with germanium detectors installed in liquid argon using data from Phase I of the GERmanium Detector Array (Gerda) experiment at the Gran Sasso Laboratory of INFN, Italy. No signal was observed and an experimental lower limit on the half-life of the radiative neutrinoless double electron capture of "3"6Ar was established: T_1_/_2 > 3.6 x 10"2"1 years at 90% CI. (orig.)

  10. Kinetics of molybdenum(6) complexation with o,o'-dihydroxyazo compounds or heterocyclic azo compounds in the presence of hydroxylamine

    International Nuclear Information System (INIS)

    Kochelaeva, G.A.; Degtyarev, M.Yu.; Ivanov, V.M.; Prokhorova, G.V.; Figurovskaya, V.N.

    1999-01-01

    The kinetics of complexation in the system molybdenum(6)-azo compound-hydroxylamine was studied. Azo compounds of the types o,o'-dihydroxyazo compounds, such as Lyumogallion IREA and Magneson IREA, and heterocyclic azo compounds, such as 4-(2-pyridylazo)resorcinol and 2-(5-bromo-2-pyridylazo)-5-diethylaminophenol, were studied. The formation of mixed-ligand complexes with the ratio of component 1 : 1 : 1 was detected. Rate constants, activation energies, and stability constants of the forming compounds were evaluated. It was concluded that the reagents under study are promising for the analytical chemistry of molybdenum [ru

  11. 6-Bromo-2-(1,4-dibromo-4-methylcyclohexyl-6-methylheptan-4-one

    Directory of Open Access Journals (Sweden)

    Ahmed Benharref

    2017-11-01

    Full Text Available The title compound, C15H25Br3O, was synthesized in one step from a mixture of α-atlantone [2-methyl-6-(4-methylcyclohex-3-en-1-ylhepta-2,5-dien-4-one] and γ-atlantone [2-methyl-6-(4-methylcyclohex-3-en-1-ylidenehept-2-en-4-one], which were isolated from an essential oil of the Atlas cedar (Cedrus Atlantica. The molecule is built up from the bromo ethyl cyclohexane ring, which has a substituent bromomethylhexanone group. The cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming zigzag chains parallel to [100].

  12. Poly[[tetraaqua(μ3-naphthalene-1,6-disulfonato-κ4O1:O6,O6′:O6′′strontium(II] monohydrate

    Directory of Open Access Journals (Sweden)

    Shan Gao

    2011-12-01

    Full Text Available In the crystal structure of the polymeric title compound, {[Sr(C10H6O6S2(H2O4]·H2O}n, the naphthalene-1,6-disulfonate dianion uses one –SO3 unit to O,O′-chelate to an SrII cation and its third O atom to bind to another SrII cation. The other –SO3 unit binds to yet another SrII atom. The four coordinated water molecules are monodentate but one is disordered over two positions in a 1:1 ratio. The μ3-bonding mode of the dianion generates a polymeric three-dimensional network; the network is consolidated by O—H...O hydrogen bonds. The SrII cation exists in an undefined eight-coordinate environment.

  13. Browse Title Index

    African Journals Online (AJOL)

    Items 51 - 76 of 76 ... Issue, Title. Vol 6, No 1 (2013), Integrating Sustainability into the Real Estate Valuation Process: A Nigerian Perspective, Abstract PDF. G K Babawale, B A Oyalowo. Vol 5, No 1 (2012), Internalising internationa valuation standards: Relevance and applicability issues in the Nigerian context, Abstract PDF.

  14. Diaqua{6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethylidyne]diphenolato-κ2O,N,N′,O′}manganese(III perchlorate 18-crown-6 hemisolvate monohydrate

    Directory of Open Access Journals (Sweden)

    Ming-Ming Yu

    2009-02-01

    Full Text Available In the cation of the title compound, [Mn(C18H18N2O4(H2O2]ClO4·0.5C12H24O6·H2O, the MnIII ion is coordinated by two water O atoms, and two O atoms and two N atoms from the tetradentate 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethylidyne]diphenolate ligand, completing a distorted octahedral geometry. One O atom of the 18-crown-6-ether is disordered over two positions with occupancies of 0.70 (2 and 0.30 (2.

  15. Isolation and identification of compounds from Phaleria macrocarpa (Scheff. Boerl fruit extract

    Directory of Open Access Journals (Sweden)

    Emanuel Dani Ramdani

    2017-04-01

    Conclusions: A new compound was isolated and identified as glyceryl pentacosanoate. Also, two xanthones, which are 1,7-dihydroxy-3,6-dimethoxyxanthone and 1,6,7-trihydroxy-3-methoxyxanthone, are firstly reported to be isolated from P. macrocarpa.

  16. (E-3-Methyl-6-(3-oxo-3-(3,4,5-trimethoxyphenylprop-1-en-1-yl-2(3H-benzothiazolone

    Directory of Open Access Journals (Sweden)

    Yordanka Ivanova

    2016-09-01

    Full Text Available The title compound, (E-3-methyl-6-(3-oxo-3-(3,4,5-trimethoxyphenylprop-1-en-1-yl-2(3H-benzothiazolone, was synthesized by both an acid- and base-catalyzed aldol condensation of 3-methyl-6-acetyl-2(3H-benzothiazolone and 3,4,5-trimethoxyacetophenone. The structure of the target compound was confirmed using 1H-NMR, 13C-NMR, IR, MS, and elemental analysis.

  17. N,N′-Dipyridoxyl(1,8-diamino-3,6-dioxaoctane) Schiff-base

    African Journals Online (AJOL)

    The N,N′-dipyridoxyl(1,8-diamino-3,6-dioxaoctane) (=H2L) Schiff-base has been synthesized and characterized by IR, 1H NMR, mass spectrometry and elemental analysis. Its optimized geometry and theoretical vibrational frequencies have been computed using density functional theory (DFT) method via the B3LYP ...

  18. Isolation, Characterization, and Bioactivity Evaluation of 3-((6-Methylpyrazin-2-ylmethyl-1H-indole, a New Alkaloid from a Deep-Sea-Derived Actinomycete Serinicoccus profundi sp. nov.

    Directory of Open Access Journals (Sweden)

    Yong-Hong Liu

    2012-12-01

    Full Text Available One new alkaloid, 3-((6-methylpyrazin-2-ylmethyl-1H-indole (1 was obtained from the deep-sea actinomycete Serinicoccus profundi sp. nov., along with five known compounds (2–6. Their structures were determined on the basis of detailed analysis of the 1D and 2D NMR as well as MS data. The new indole alkaloid displayed weak antimicrobial activity against Staphylococcus aureus ATCC 25923 with an MIC value of 96 μg/mL. It showed no cytotoxicity on a normal human liver cell line (BEL7402 and a human liver tumor cell line (HL-7702.

  19. A novel organic–inorganic hybrid with Anderson type polyanions as building blocks: (C{sub 6}H{sub 10}N{sub 3}O{sub 2}){sub 2}Na(H{sub 2}O){sub 2}[Al(OH){sub 6}Mo{sub 6}O{sub 18}]·6H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Thabet, Safa, E-mail: safathabet@hotmail.fr [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Ayed, Brahim, E-mail: brahimayed@yahoo.fr [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Haddad, Amor [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)

    2012-11-15

    Graphical abstract: Display Omitted Highlights: ► Synthesis of a novel inorganic–organic hybrid compound based on Anderson polyoxomolybdates. ► Characterization by X-ray diffraction, IR and UV–Vis spectroscopies of the new compound. ► Potential applications in catalysis, biochemical analysis and electrical conductivity of the organic–inorganic compound. -- Abstract: A new organic–inorganic hybrid compound based on Anderson polyoxomolybdates, (C{sub 6}H{sub 10}N{sub 3}O{sub 2}){sub 2}Na(H{sub 2}O){sub 2}[Al(OH){sub 6}Mo{sub 6}O{sub 18}]·6H{sub 2}O (1) have been isolated by the conventional solution method and characterized by single-crystal X-ray diffraction, infrared, ultraviolet spectroscopy and Thermogravimetric Analysis (TGA). This compound crystallized in the triclinic system, space group P−1, with a = 94.635(1) Å, b = 10.958(1) Å, c = 11.602(1) Å, α = 67.525(1)°, β = 71.049(1)°, γ = 70.124(1)° and Z = 1. The crystal structures of the compounds exhibit three-dimensional supramolecular assembly based on the extensive hydrogen bonding interactions between organic cations, sodium cations, water molecules and Anderson polyoxoanions. The infrared spectrum fully confirms the X-ray crystal structure and the UV spectrum of the title compound exhibits an absorption peak at 210 nm.

  20. 40 CFR 721.7020 - Distillates (petroleum), C(3-6), polymers with styrene and mixed terpenes (generic name).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Distillates (petroleum), C(3-6... CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.7020 Distillates (petroleum... significant new uses subject to reporting. (1) The chemical substance distillates (petroleum), C(3-6...

  1. Browse Title Index

    African Journals Online (AJOL)

    Items 101 - 107 of 107 ... Issue, Title. Vol 6, No 1 (2017), The Ophthalmic status manifestations of nutritional and lifestyle disorders of men in a peri urban community in Ghana, Abstract PDF. F. Vuvor, M. Steiner-Asiedu, F.K. Saalia. Vol 2, No 1 (2013), Thyroid Disorders in Accra, Ghana: A Retrospective Histopathological Study ...

  2. Browse Title Index

    African Journals Online (AJOL)

    Items 51 - 68 of 68 ... Issue, Title. Vol 12, No 1-2 (2009), Sécurité et ordre politique au Cameroun : entre dynamiques internes et connexions internationales, Abstract PDF. BEP Chantal. Vol 6, No 1-2 (2003), Self-Determination, Nationalism, Development and Pan-Africanism Stuck on the Runway: Are Intellectuals to be Blamed ...

  3. Browse Title Index

    African Journals Online (AJOL)

    Items 251 - 300 of 328 ... Issue, Title. Vol 7, No 1 (2003), Sexual Harassment in Academia in Nigeria: How Real? Details PDF. Olugbenga Jelil Ladebo. Vol 8, No 2 (2004), Shaping the internet for match-making/dating: a challenge for the contemporary Nigerian family institution, Abstract PDF. Wale Adesina. Vol 6, No 1 (2002) ...

  4. Structuring effects of [Ln6O(OH)8(NO3)6(H2O)12]2+ entities

    International Nuclear Information System (INIS)

    Guillou, O.; Daiguebonne, C.; Calvez, G.; Le Dret, F.; Car, P.-E.

    2008-01-01

    In order to obtain highly porous lanthanide-based coordination polymers we are currently investigating reactions between [Ln 6 O(OH) 8 (NO 3 ) 6 (H 2 O) 12 ] 2+ di-cationic hexanuclear entities and sodium salts of benzene-poly-carboxylic acids. Two new coordination polymers obtained during this study are reported here. In both cases, the hexanuclear entity has been destroyed during the reaction. However the resulting compounds are original thanks to a structuring effect of the poly-metallic complex. The first compound of chemical formula [Y 2 (C 8 H 4 O 4 ) 3 (DMF)(H 2 O)],2DMF crystallizes in the monoclinic system, space group P121/n (n o 14) with a = 16.0975(3) A, b = 14.4605(3) A, c = 17.7197(4) A, β = 92.8504(9) o and Z = 4. The second compound of chemical formula Y 2 (NO 3 ) 2 (C 10 H 2 O 8 )(DMF) 4 crystallizes in the triclinic system, space group P-1 (n o 2) with a = 7.5312(3) A, b = 9.0288(3) A, c = 13.1144(6) A, α = 92.6008(14) o , β = 94.9180(14) o , γ = 112.1824(16) o and Z = 2. Both crystal structures are 2D. Both crystal structures are described and the original structural features are highlighted and related to a potential structuring effect of the hexanuclear precursor

  5. Browse Title Index

    African Journals Online (AJOL)

    Items 101 - 150 of 1215 ... Journal Home > Advanced Search > Browse Title Index. Log in or ... Vol 12, No 1 (2018), Analysis of the effects of frequent strikes on academic performance of students in universities in Nigeria: Edo State as a focal point, Abstract PDF ... Vol 6, No 1 (2012), Appraisal as a Determinant for Adequate ...

  6. Browse Title Index

    African Journals Online (AJOL)

    Items 251 - 300 of 490 ... Issue, Title. Vol 6, No 2 (2010), Knowledge and patterns of use of highly active antiretroviral therapies in HIV management at Abuja, Nigeria, Abstract. Jill I Okpalugo, US Inyang, K Ibrahim, F Anita, Chinwe V Ukwe, NC Aguwa. Vol 5, No 4 (2009), Knowledge and utilization of the acts in two major ...

  7. Browse Title Index

    African Journals Online (AJOL)

    Items 151 - 200 of 4119 ... Issue, Title. Vol 86, No 2 (1996), A re-evaluation of isotope screening for skeletal metastases in nodenegative breast cancer, Abstract PDF. C.A. Gudgeon, I.D. Werner, D.M. Dent. Vol 104, No 6 (2014), A reflection on the South African Medical Association – past, present and future, Abstract PDF.

  8. Browse Title Index

    African Journals Online (AJOL)

    Items 701 - 750 of 1010 ... Issue, Title. Vol 6, No 2 (1998), Performance et stabilité de rendement des génotypes de patate douce dans divers environnements à l'est du Congo, Abstract. P Phemba, T Mutombo, N B Lutaladio, E E Carey. Vol 22 (2014): Supplement, Performance of Artemia shell-free embryos, Moina micrura and ...

  9. Browse Title Index

    African Journals Online (AJOL)

    Items 4351 - 4386 of 4386 ... Issue, Title. Vol 107, No 6 (2017), When students become patients: TB disease among medical undergraduates in Cape Town, South Africa, Abstract PDF. H van der Westhuizen, A Dramowski. Vol 106, No 4 (2016), Where do children die and what are the causes? Under-5 deaths in the Metro West ...

  10. Browse Title Index

    African Journals Online (AJOL)

    Items 1 - 50 of 126 ... Issue, Title. Vol 8, No 2 (2016), 2010 FIFA World Cup stadium investment: Does the post-event usage justify the expenditure? Abstract PDF. Luke Humphrey, Gavin Fraser. Vol 6, No 1 (2014), 7Implication of mergers and acquisitions on stock returns before and during the 2007–2009 credit crunch: An ...

  11. New cytotoxic and anti-inflammatory compounds isolated from Morus alba L.

    Science.gov (United States)

    Qin, Jing; Fan, Min; He, Juan; Wu, Xing-De; Peng, Li-Yan; Su, Jia; Cheng, Xiao; Li, Yan; Kong, Ling-Mei; Li, Rong-Tao; Zhao, Qin-Shi

    2015-01-01

    Six Diels-Alder adducts (1-6) and nine prenylated flavanones (7-15) were isolated from the root bark of Morus alba L. Among them, soroceal B (1) and sanggenol Q (7) were new compounds. Their structures were elucidated on the basis of extensive spectroscopic methods, including 1D and 2D NMR techniques. Compounds 1-3, 9, 10, 12, 13 and 15 exhibited cytotoxic activity against five human tumour lines and compound 2 inhibited significantly selective cytotoxic activities towards HL-60 and AGS cells with IC50 of 3.4 and 3.6 μM. Compounds 3, 5, 9 and 12 exhibited moderate inhibitory activity against nitric oxide production in LPS-activated RAW264.7.

  12. (2aR*,5S*,6aS*,8aS*,E-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1H-pentaleno[1,6-bc]oxepine-4-carboxylate

    Directory of Open Access Journals (Sweden)

    Goverdhan Mehta

    2012-12-01

    Full Text Available The title compound, C17H24O5, featuring a 2-carbethoxy-3-oxepanone unit in its intramolecularly O—H...O hydrogen-bonded enol form, was obtained via [(CF3CO22Rh]2-catalysed intramolecular O—H bond insertion in the α-diazo-ω-hydroxy-β-ketoester, ethyl 4-[(1S,3aS,6R,6aS-6-hydroxy-2,2,3a-trimethyl-3-oxo-octahydropentalen-1-yl]-2-diazo-3-oxobutanoate. The seven-membered oxacyclic ring, thus constructed on a cis-fused diquinane platform, was found to adopt a distorted boat–sofa conformation.

  13. COMPACT STARBURSTS IN z similar to 3-6 SUBMILLIMETER GALAXIES REVEALED BY ALMA

    NARCIS (Netherlands)

    Ikarashi, Soh; Ivison, R. J.; Caputi, Karina I.; Aretxaga, Itziar; Dunlop, James S.; Hatsukade, Bunyo; Hughes, David H.; Iono, Daisuke; Izumi, Takuma; Kawabe, Ryohei; Kohno, Kotaro; Lagos, Claudia D. P.; Motohara, Kentaro; Nakanishi, Kouichiro; Ohta, Kouji; Tamura, Yoichi; Umehata, Hideki; Wilson, Grant W.; Yabe, Kiyoto; Yun, Min S.

    2015-01-01

    We report the source size distribution, as measured by ALMA millimetric continuum imaging, of a sample of 13 AzTEC-selected submillimeter galaxies (SMGs) at z(phot) similar to 3-6. Their infrared luminosities and star formation rates (SFRs) are L-IR similar to, 2-6 x 10(12) L-circle dot and similar

  14. Contamination of butyltin compounds in Malaysian marine environments

    International Nuclear Information System (INIS)

    Sudaryanto, Agus; Takahashi, Shin; Iwata, Hisato; Tanabe, Shinsuke; Ismail, Ahmad

    2004-01-01

    Concentration of butyltin compounds (BTs), including tributyltin (TBT), dibutyltin (DBT) and monobutyltin (MBT) and total tin (ΣSn) were determined in green mussel (Perna viridis), 10 species of muscle fish and sediment from coastal waters of Malaysia. BTs were detected in all these samples ranging from 3.6 to 900 ng/g wet wt., 3.6 to 210 ng/g wet wt., and 18 to 1400 ng/g dry wt. for mussels, fish and sediments, respectively. The concentrations of BTs in several locations of this study were comparable with the reported values from some developed countries and highest among Asian developing nations. Considerable concentration of BTs in several locations might have ecotoxicological consequences and may cause concern to human health. The parent compound TBT was found to be highest than those of its degradation compounds, DBT and MBT, suggesting recent input of TBT to the Malaysian marine environment. Significant positive correlation (Spearman rank correlation: r 2 =0.82, P<0.0001) was found between BTs and ΣSn, implying considerable anthropogenic input of butyltin compounds to total tin contamination levels. Enormous boating activities may be a major source of BTs in this country, although aquaculture activities may not be ignored. - Lack of any regulation of TBT clearly resulted in a heavy contamination of BTs in Malaysia

  15. Contamination of butyltin compounds in Malaysian marine environments

    Energy Technology Data Exchange (ETDEWEB)

    Sudaryanto, Agus; Takahashi, Shin; Iwata, Hisato; Tanabe, Shinsuke; Ismail, Ahmad

    2004-08-01

    Concentration of butyltin compounds (BTs), including tributyltin (TBT), dibutyltin (DBT) and monobutyltin (MBT) and total tin ({sigma}Sn) were determined in green mussel (Perna viridis), 10 species of muscle fish and sediment from coastal waters of Malaysia. BTs were detected in all these samples ranging from 3.6 to 900 ng/g wet wt., 3.6 to 210 ng/g wet wt., and 18 to 1400 ng/g dry wt. for mussels, fish and sediments, respectively. The concentrations of BTs in several locations of this study were comparable with the reported values from some developed countries and highest among Asian developing nations. Considerable concentration of BTs in several locations might have ecotoxicological consequences and may cause concern to human health. The parent compound TBT was found to be highest than those of its degradation compounds, DBT and MBT, suggesting recent input of TBT to the Malaysian marine environment. Significant positive correlation (Spearman rank correlation: r{sup 2}=0.82, P<0.0001) was found between BTs and {sigma}Sn, implying considerable anthropogenic input of butyltin compounds to total tin contamination levels. Enormous boating activities may be a major source of BTs in this country, although aquaculture activities may not be ignored. - Lack of any regulation of TBT clearly resulted in a heavy contamination of BTs in Malaysia.

  16. Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qing-Qing [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Liu, Bing [College of Chemistry and Chemical Engineering, Shaanxi University of Sciences and Technology, Xi’an 710021, Shaanxi (China); Xu, Ling, E-mail: xuling@snnu.edu.cn [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China); Jiao, Huan, E-mail: jiaohuan@snnu.edu.cn [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China)

    2017-03-15

    Ionothermal reactions of 1,3,5-benzenetricarboxylate acid (H{sub 3}BTC) and Ni(NO{sub 3}){sub 2}, Co(NO{sub 3}){sub 2} and Cu(NO{sub 3}){sub 2} gave two discrete 32-membered ring-like allomers, [M{sub 2}(HBTC){sub 2}(NH{sub 2}CONH{sub 2}){sub 2}(H{sub 2}O){sub 4}]·3H{sub 2}O (M=Ni(1), Co(2)) and one layered [Cu{sub 2}(BTC)Cl(H{sub 2}O){sub 4}] (3). The weak interactions in 1 can be deconstructed to some degree in ion exchange by exploring the factors of divalent and trivalent metal species, metal concentration and soaking time, which are demonstrated by PXRD and N{sub 2} absorption. Cu{sup 2+} has the highest N{sub 2} adsorbance when soaking with 1, and 1 can keep structure stable when Cu{sup 2+} below 0.16 mol L{sup −1} and the soaking time within 24d. As Cu{sup 2+} beyond 0.16 mol L{sup −1} and the soaking time beyond 24d, the structure of compound 1 starts to transform with the crystal morphology from clear pale green to opaque blue. Ionothermal reactions of compound 1 with different Cu{sup 2+} amounts obtained Ni{sup 2+}-Cu{sup 2+} hetero complexes, whose PXRD patterns are similar to that of 3 and EDS indicates Cu{sup 2+}% increases with Cu{sup 2+} additions and close to 100% as Cu{sup 2+} being 1.6 mmol. It suggests that 3 is a controlled product and Cu{sup 2+} can transform discrete compound 1 into 2D compound 3. - Graphical abstract: Three compounds were synthesized through ionothermal reactions. The weak interactions in compound 1 can be deconstructed by ion exchange and discrete compound 1 can be transformed into layered compound 3. - Highlights: • Two discrete ring-like and one layered compounds were ionothermally synthesized. • Metal species, metal concentration and soaking time deconstruct the H-bondings in 1. • 1 can be transformed to 3 through ionothermal reaction, otherwise forbidden.

  17. Comparing the characteristics of highly cited titles and highly alted titles

    Energy Technology Data Exchange (ETDEWEB)

    Didegah, F.; Bowman, T.D.; Bowman, S.; Hartley, J.

    2016-07-01

    This study examines differences in the types of titles for articles that show high altmetric activity (highly alted articles) versus highly cited articles. This work expands on previous research on document titles in combination with a grounded theory approach to develop a codebook in which articles were manually coded based on 11 characteristics. The results show that there are differences and similarities in titles across many of the examined characteristics; highly cited titles and highly mentioned titles on Wikipedia have some similar characteristics such as they have the the highest percentage of substantive words; in addition, there are no or very few titles referencing outside or with humor/lightness on both platforms. Twitter and Facebook also showed some similarities having the highest percentage of humorous/light titles and lowest percentage of substantive words in their titles. (Author)

  18. Structural characterization of Mg{sub 3}MnH{sub {approx}}{sub 6}--a new high-pressure phase synthesized in a multi-anvil cell at 6 GPa

    Energy Technology Data Exchange (ETDEWEB)

    Blomqvist, Helen; Roennebro, Ewa; Kyoi, Daisuke; Sakai, Tetsuo; Noreus, Dag

    2003-08-25

    With modern X-ray diffraction refinement methods it was shown to be possible to identify a new Mg{sub 3}MnH{sub {approx}}{sub 6} phase from a minute sample volume in spite of poor crystallinity and coexisting impurity phases. The new hydride was synthesized at 6 GPa in a high-pressure multi-anvil cell at 873 K. A monoclinic unit cell was found with a=8.827(2), b=4.657(2), c=4.676(2) A and {beta}=105.74(2) deg., space group P2{sub 1}/m (no. 11), Z=2, V=184.99 A{sup 3}. Manganese is surrounded by a distorted cube of magnesium with average Mn-Mg distances of 2.78(2) A. The cubes share edges in the b and c directions of the unit cell but are separated by a distance of {approx}3.6 A along a, forming a layered structure. The hydrogen positions were not possible to determine, as only a small sample amount could be prepared. If the metal atom structure of the title compound is compared to the already known Mg{sub 3}MnH{sub 7} it can be concluded that Mg{sub 3}MnH{sub {approx}}{sub 6} also consists of manganese hydrido complexes counterbalanced by magnesium ions, but with a different alignment of the magnesium cubes.

  19. 5-Methyl-4-oxo-4,6-dihydro-3H-pyridazino[4,5-b]carbazole-1-carbonitrile

    Directory of Open Access Journals (Sweden)

    Norbert Haider

    2010-02-01

    Full Text Available The title compound was prepared in excellent yield from 5-methyl-4-oxo-4,6-dihydro-3H-pyridazino[4,5-b]carbazole-1-carbaldehyde by treatment with hydroxylamine hydrochloride in formic acid without isolation of the intermediate oxime.

  20. Gas-phase Conformational Analysis of (R,R)-Tartaric Acid, its Diamide, N,N,N',N'- Tetramethyldiamide and Model Compounds

    Science.gov (United States)

    Hoffmann, Marcin; Szarecka, Agnieszka; Rychlewski, Jacek

    A review over most recent ab initio studies carried out at both RHF and MP2 levels on (R,R)-tartaric acid (TA), its diamide (DA), tetramethyldiamide (TMDA) and on three prototypic model systems (each of them constitutes a half of the respective parental molecule), i.e. 2-hydroxyacetic acid (HA), 2-hydroxyacetamide (HD) and 2-hydroxy-N,N-dimethylacetamide (HMD) is presented. (R,R)-tartaric acid and the derivatives have been completely optimized at RHF/6-31G* level and subsequently single-point energies of all conformers have been calculated with the use of second order perturbation theory according to the scheme: MP2/6-31G*//RHF/6-31G*. In the complete optimization of the model molecules at RHF level we have employed relatively large basis sets, augmented with polarisation and diffuse functions, namely 3-21G, 6-31G*, 6-31++G** and 6-311++G**. Electronic correlation has been included with the largest basis set used in this study, i.e. MP2/6-311++G**//RHF/6-311++G** single-point energy calculations have been performed. General confomational preferences of tartaric acid derivatives have been analysed as well as an attempt has been made to define main factors affecting the conformational behaviour of these molecules in the isolated state, in particular, the role and stability of intramolecular hydrogen bonding. In the case of the model compounds, our study principally concerned the conformational preferences and hydrogen bonding structure within the [alpha]-hydroxy-X moiety, where X=COOH, CONH2, CON(CH3)2.

  1. Absorption Profile of (PolyPhenolic Compounds after Consumption of Three Food Supplements Containing 36 Different Fruits, Vegetables, and Berries

    Directory of Open Access Journals (Sweden)

    Letizia Bresciani

    2017-02-01

    Full Text Available The market of plant-based nutraceuticals and food supplements is continuously growing due to the increased consumer demand. The introduction of new products with relevant nutritional characteristics represents a new way of providing bioactive compounds and (polyphenols to consumers, becoming a strategy to ideally guarantee the health benefits attributed to plant foodstuffs and allowing the increase of daily bioactive compound intake. A paramount step in the study of nutraceuticals is the evaluation of the bioavailability and metabolism of their putatively active components. Therefore, the aim of the present study was to investigate the absorption profile of the (polyphenolic compounds contained in three different plant-based food supplements, made of 36 different plant matrices, which were consumed by 20 subjects in an open one-arm study design. Blood samples were collected at baseline and 1, 2, 5, and 10 h after capsule intake. Twenty quantifiable metabolites deriving from different (polyphenolic compounds were identified. Results showed that the consumption of the three capsules allowed the effective absorption of several (polyphenolic compounds and metabolites appearing at different times in plasma, thereby indicating different absorption profiles. The capsules thus ensured potential health-promoting molecules to be potentially available to target tissues and organs.

  2. Absorption Profile of (Poly)Phenolic Compounds after Consumption of Three Food Supplements Containing 36 Different Fruits, Vegetables, and Berries.

    Science.gov (United States)

    Bresciani, Letizia; Martini, Daniela; Mena, Pedro; Tassotti, Michele; Calani, Luca; Brigati, Giacomo; Brighenti, Furio; Holasek, Sandra; Malliga, Daniela-Eugenia; Lamprecht, Manfred; Del Rio, Daniele

    2017-02-26

    The market of plant-based nutraceuticals and food supplements is continuously growing due to the increased consumer demand. The introduction of new products with relevant nutritional characteristics represents a new way of providing bioactive compounds and (poly)phenols to consumers, becoming a strategy to ideally guarantee the health benefits attributed to plant foodstuffs and allowing the increase of daily bioactive compound intake. A paramount step in the study of nutraceuticals is the evaluation of the bioavailability and metabolism of their putatively active components. Therefore, the aim of the present study was to investigate the absorption profile of the (poly)phenolic compounds contained in three different plant-based food supplements, made of 36 different plant matrices, which were consumed by 20 subjects in an open one-arm study design. Blood samples were collected at baseline and 1, 2, 5, and 10 h after capsule intake. Twenty quantifiable metabolites deriving from different (poly)phenolic compounds were identified. Results showed that the consumption of the three capsules allowed the effective absorption of several (poly)phenolic compounds and metabolites appearing at different times in plasma, thereby indicating different absorption profiles. The capsules thus ensured potential health-promoting molecules to be potentially available to target tissues and organs.

  3. Catálogo de los Reptiles procedentes de la Comunidad de Madrid (España que se conservan en el Museo Nacional de Ciencias Naturales

    Directory of Open Access Journals (Sweden)

    González Fernández, J. E.

    2006-05-01

    Full Text Available A complete catalogue of reptiles found in Comunidad de Madrid (Spain is provided in this paper. The catalogue is taxonomically indexed and listed in alphabetical order including all basic data. It includes all information available in card files and old collection books of the MNCN. We have confirmed which reptiles in the current collection appear as being collected in Madrid, in old records, catalogue books and collection cards in the collection of amphibians and reptiles of the MNCN. The information of these old databases has been verified and mistakes corrected. As a consequence of this revision, the existence of 2237 specimens of reptiles originating in the above-indicated area and exisincluded in 1039 computer records, has been confirmed as of 30 November 2005. Among the oldest specimens included in the collection are some collected by the founding father of Spanish herpetology (Eduardo Boscá y Casanoves or by a member of the Pacific Scientific Commission (Francisco de P. Martínez y Sáez and deposited in the MNCN more than 140 years ago. These specimens and their data are preserved at the MNCN as part of our common National Heritage, for future generations of researchers as witnesses of the past and present biodiversity. Distribution areas for several species have been extended.

    En el presente trabajo, se proporciona un catálogo actualizado de los reptiles de la Comunidad de Madrid (España elaborado gracias a la información disponible en los ficheros y libros de colección del MNCN. Se han confirmado los datos que figuraban en los antiguos libros de registro, catálogo y fichas de colección referentes a los reptiles procedentes de Madrid existentes en la colección de anfibios y reptiles del MNCN, comprobándose que ejemplares se conservan en la actualidad. También se ha actualizado y comprobado que la información disponible en las bases de datos del MNCN era correcta y acorde con los datos existentes en los ejemplares. Los

  4. 13b,13c-Di-2-pyridyl-5,7,12,13b,13c,14-hexahydro-6H,13H-5a,6a,12a,13a-tetraazabenz[5,6]azuleno[2,1,8-ija]benz[f]azulene-6,13-dione methanol hemisolvate

    Directory of Open Access Journals (Sweden)

    Lin Li

    2008-01-01

    Full Text Available The title compound, C30H24N6O2·0.5CH3OH, a glycoluril derivative with two pyridine substituents on the convex face of the glycoluril system, is an important intermediate for the synthesis of more complex glycoluril derivatives. The compound crystallizes with two independent molecules in the asymmetric unit, one of which exhibits disorder of one benzene ring over two orientations with refined site occupancy factors 0.65 (4:0.35 (4. The crystal structure contains several short C—H...O contacts, and the methanol molecule forms an O—H...O hydrogen bond to one of the glycoluril molecules.

  5. 5-Fluoro-6′H,7′H,8′H-spiro[indoline-3,7′-pyrano[3,2-c:5,6-c′]di-1-benzopyran]-2,6′,8′-trione

    Directory of Open Access Journals (Sweden)

    J. Suresh

    2012-03-01

    Full Text Available In the title compound, C26H12FNO6, the central pyran ring and both benzopyran systems are nonplanar, having total puckering amplitudes of 0.139 (2, 0.050 (1 and 0.112 (2 Å, respectively. The central pyran ring adopts a boat conformation. The crystal structure is stabilized by C—H...O, N—H...O, N—H...F and C—H...π interactions.

  6. Metamagnetic behaviour of La1-xGdxFe12B6 compounds

    International Nuclear Information System (INIS)

    Li, Q.A.; Groot, C.H. de; Boer, F.R. de; Buschow, K.H.J.

    1997-01-01

    The magnetic properties of compounds of the type La 1-x Gd x Fe 12 B 6 have been studied in high magnetic fields at 4.2 K. LaFe 12 B 6 is a compound with Fe moments close to magnetic instability and values not larger than about 0.5 μ B . Substitution of Gd for part of the La and application of high magnetic fields enhance the Fe moments to values in excess of 2 μ B . The high-moment state in LaFe 12 B 6 is reached via a metamagnetic transition. This first-order transition is associated with an extremely large hysteresis of nearly 7 T at 4.2 K. (orig.)

  7. Application of RELAP5/MOD3.1 code to the LOFT test L3-6

    International Nuclear Information System (INIS)

    Pylev, S.S.; Roginskaja, V.L.

    1998-02-01

    A calculation of LOFT Experiment L3-6, a small break equivalent to a 4-in diameter rupture in the cold leg of a four-loop commercial pressurized water reactor, has been performed to help validate RELAP5/MOD3.1 for this application. The version of the code to be used is SCDAP/RELAP5/MOD3.1.8d0. Three calculations were carried out in order to study the sensitivity to change break nozzle superheated discharge coefficient. Conducted comparative analysis of the LOFT L3-6 experiment shows on the whole a reasonable agreement between calculated data. Some discrepancies in the system pressure do not distort a picture of the transient. 6 refs

  8. Application of RELAP5/MOD3.1 code to the LOFT test L3-6

    Energy Technology Data Exchange (ETDEWEB)

    Pylev, S.S.; Roginskaja, V.L.

    1998-02-01

    A calculation of LOFT Experiment L3-6, a small break equivalent to a 4-in diameter rupture in the cold leg of a four-loop commercial pressurized water reactor, has been performed to help validate RELAP5/MOD3.1 for this application. The version of the code to be used is SCDAP/RELAP5/MOD3.1.8d0. Three calculations were carried out in order to study the sensitivity to change break nozzle superheated discharge coefficient. Conducted comparative analysis of the LOFT L3-6 experiment shows on the whole a reasonable agreement between calculated data. Some discrepancies in the system pressure do not distort a picture of the transient. 6 refs.

  9. Computational Study on Spirocyclic Compounds as Energetic Materials (I)

    Energy Technology Data Exchange (ETDEWEB)

    Seok, Won K. [Dongguk Univ., Seoul (Korea, Republic of)

    2014-04-15

    The molecular structures of 2,6-diaza-1,3,5,7-tetraoxaspiro heptane and its dinitro derivative, 2,6-dinitro-2,6-diaza-1,3,5,7-tetraoxaspiro heptane, were fully optimized without symmetry constraints at HF/6-31G level of theory. A bisected conformation with respect to the ring is preferred with a C{sub 2} symmetric structure. The density of each molecule in the crystalline state was estimated to 1.12 and 2.36 g/cm{sup 3} using PM3/VSTO-3G calculations from the molecular volume. The heat of formation was calculated for two compounds at the CBS-4M level of theory. The detonation parameters were computed using the EXPLO5 software: D = 6282 m/s, P{sub C-J} = 127 kbar for compound, D = 7871 m/s, P{sub C-J} = 307 kbar for compound, and D = 6975 m/s, P{sub C-J} = 170 kbar for 60% compound with 40% TNT. Specific impulse of compound 1 in aluminized formulation when used as monopropellants was very similar to that of the conventional ammonium perchlorate in the same formulation of aluminum.

  10. 4,6-Dibromo-N-{3-[(4,6-dibromo-2,3-dimethylphenylimino]butan-2-ylidene}-2,3-dimethylaniline

    Directory of Open Access Journals (Sweden)

    Lina Huang

    2013-10-01

    Full Text Available The title compound, C20H20Br4N2, is a product of the condensation reaction of 4,6-dibromo-2,3-dimethylaniline and butane-2,3-dione. The molecule has a center of symmetry at the mid-point of the central C—C bond. The dihedral angle between the benzene ring and the 1,4-diazabutadiene plane is 78.3 (2°. Niether hydrogen bonding nor aromatic stacking is observed in the crystal structure.

  11. Synthesis, crystal structure, and photoluminescence of a lithium isothiocyanate compound with 18-crown-6

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Shan; Fu, Bo; Zhao, Zhen; Liu, Xi [Chongqing Normal Univ. (China). Chongqing Key Lab. of Inorganic Functional Materials

    2018-04-01

    The investigation of the supramolecular interactions between the lithium isothiocyanate salt and 18-crown-6 (18C-6) in commercial tetrahydrofuran leads to the formation of a lithium compound, LiNCS(H{sub 2}O)(18C-6) (1). In the crystal structure the asymmetric unit contains two similar LiNCS(H{sub 2}O)(18C-6) molecules. Solid-state photoluminescence experiments have shown that compound 1 emits violet luminescence, and its possible emission mechanism was investigated in detail based on theoretical calculations.

  12. Cytotoxic Activity of 3,6-Dihydroxyflavone in Human Cervical Cancer Cells and Its Therapeutic Effect on c-Jun N-Terminal Kinase Inhibition

    Directory of Open Access Journals (Sweden)

    Eunjung Lee

    2014-08-01

    Full Text Available Previously we have shown that 3,6-dihydroxyflavone (3,6-DHF is a potent agonist of the human peroxisome proliferator-activated receptor (hPPAR with cytotoxic effects on human cervical cancer cells. To date, the mechanisms by which 3,6-DHF exerts its antitumor effects on cervical cells have not been clearly defined. Here, we demonstrated that 3,6-DHF exhibits a novel antitumor activity against HeLa cells with IC50 values of 25 μM and 9.8 μM after 24 h and 48 h, respectively. We also showed that the anticancer effects of 3,6-DHF are mediated via the toll-like receptor (TLR 4/CD14, p38 mitogen-activated protein kinase (MAPK, Jun-N terminal kinase (JNK, extracellular-signaling regulated kinase (ERK, and cyclooxygenase (COX-2 pathways in lipopolysaccharide (LPS-stimulated RAW264.7 cells. We found that 3,6-DHF showed a similar IC50 (113 nM value to that of the JNK inhibitor, SP600125 (IC50 = 118 nM in a JNK1 kinase assay. Binding studies revealed that 3,6-DHF had a strong binding affinity to JNK1 (1.996 × 105 M−1 and that the 6-OH and the carbonyl oxygen of the C ring of 3,6-DHF participated in hydrogen bonding interactions with the carbonyl oxygen and the amide proton of Met111, respectively. Therefore, 3,6-DHF may be a candidate inhibitor of JNKs, with potent anticancer effects.

  13. Antifouling potential of Nature-inspired sulfated compounds

    Science.gov (United States)

    Almeida, Joana R.; Correia-da-Silva, Marta; Sousa, Emília; Antunes, Jorge; Pinto, Madalena; Vasconcelos, Vitor; Cunha, Isabel

    2017-02-01

    Natural products with a sulfated scaffold have emerged as antifouling agents with low or nontoxic effects to the environment. In this study 13 sulfated polyphenols were synthesized and tested for antifouling potential using the anti-settlement activity of mussel (Mytilus galloprovincialis) plantigrade post-larvae and bacterial growth inhibition towards four biofilm-forming bacterial strains. Results show that some of these Nature-inspired compounds were bioactive, particularly rutin persulfate (2), 3,6-bis(β-D-glucopyranosyl) xanthone persulfate (6), and gallic acid persulfate (12) against the settlement of plantigrades. The chemical precursors of sulfated compounds 2 and 12 were also tested for anti-settlement activity and it was possible to conclude that bioactivity is associated with sulfation. While compound 12 showed the most promising anti-settlement activity (EC50 = 8.95 μg.mL-1), compound 2 also caused the higher level of growth inhibition in bacteria Vibrio harveyi (EC20 = 12.5 μg.mL-1). All the three bioactive compounds 2, 6, and 12 were also found to be nontoxic to the non target species Artemia salina ( 1000 μg.mL-1). This study put forward the relevance of synthesizing non-natural sulfated small molecules to generate new nontoxic antifouling agents.

  14. Synthesis, Fungicidal Activity and Mode of Action of 4-Phenyl-6-trifluoromethyl-2-aminopyrimidines against Botrytis cinerea

    Directory of Open Access Journals (Sweden)

    Chunhui Liu

    2016-06-01

    Full Text Available Anilinopyrimidines are the main chemical agents for management of Botrytis cinerea. However, the drug resistance in fungi against this kind of compounds is very serious. To explore new potential fungicides against B. cinerea, a series of 4-phenyl-6-trifluoromethyl-2-amino-pyrimidine compounds (compounds III-1 to III-22 were synthesized, and their structures were confirmed by 1H-NMR, IR and MS. Most of these compounds possessed excellent fungicidal activity. The compounds III-3 and III-13 showed higher fungicidal activity than the positive control pyrimethanil on fructose gelatin agar (FGA, and compound III-3 on potato dextrose agar (PDA indicated high activity compared to the positive control cyprodinil. In vivo greenhouse results indicated that the activity of compounds III-3, III-8, and III-11 was significantly higher than that of the fungicide pyrimethanil. Scanning electron micrography (SEM and transmission electron micrography (TEM were applied to illustrate the mechanism of title compounds against B. cinerea. The title compounds, especially those containing a fluorine atom at the ortho-position on the benzene ring, could maintain the antifungal activity against B. cinerea, but their mechanism of action is different from that of cyprodinil. The present study lays a good foundation for us to find more efficient reagents against B. cinerea.

  15. Vibrational spectroscopic (FT-IR, FT-Raman) and quantum mechanical study of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a][1,4] diazepine

    Science.gov (United States)

    Kuruvilla, Tintu K.; Prasana, Johanan Christian; Muthu, S.; George, Jacob

    2018-04-01

    The spectroscopic properties of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno [3,2-f] [1,2,4] triazolo [4,3-a] [1,4] diazepine were investigated in the present study using FT-IR and FT-Raman techniques. The results obtained were compared with quantum mechanical methods, as it serves as an important tool in interpreting and predicting vibrational spectra. The optimized molecular geometry, the vibrational wavenumbers, the infrared intensities and Raman scattering were calculated using density functional theory B3LYP method with 6-311++g (d,p) basis set. All the experimental results were in line with the theoretical data. The molecular electrostatic potential (MEP) and HOMO LUMO energies of the title compound were accounted. The results indicated that the title compound has a lower softness value (0.27) and high electrophilicity index (4.98) hence describing its biological activity. Further, natural bond orbital was also analyzed as part of the work. Fukui functions were calculated in order to explain the chemical selectivity or the reactivity site in 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno [3,2-f] [1,2,4] triazolo [4,3-a] [1,4] diazepine. The thermodynamic properties of the title compound were closely examined at different temperatures. It revealed the correlations between heat capacity (C), entropy (S) and enthalpy changes (H) with temperatures. The paper further explains that the title compound can act as good antidepressant through molecular docking studies.

  16. Crystal structure of [bis(2,6-diisopropylphenyl phosphato-κO]tris(methanol-κOlithium methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Mikhail E. Minyaev

    2015-05-01

    Full Text Available Crystals of the title compound, [Li{OOP(O-2,6-iPr2C6H32}(CH3OH3]·CH3OH or [Li(C24H34O4P(CH3OH3]·CH3OH, have been formed in the reaction between HOOP(O-2,6-iPr2C6H32 and LiOH in methanol. The title compound is of interest as it represents the first reported crystal structure of the family of lithium phosphate diesters. The {Li(CH3OH3[O2P(O-iPr2C6H32]} unit displays the Li atom in a slightly distorted tetrahedral coordination environment and exhibits one intramolecular O—H...O hydrogen bond between a coordinating methanol molecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol molecules through two intermolecular O—H...O hydrogen bonds, and with a neighbouring unit through two other O—H...O interactions. These intermolecular hydrogen bonds lead to the formation of infinite chains along [100]. There are no significant interactions between the chains.

  17. Analysis of the Aedes albopictus C6/36 genome provides insight into cell line utility for viral propagation.

    Science.gov (United States)

    Miller, Jason R; Koren, Sergey; Dilley, Kari A; Puri, Vinita; Brown, David M; Harkins, Derek M; Thibaud-Nissen, Françoise; Rosen, Benjamin; Chen, Xiao-Guang; Tu, Zhijian; Sharakhov, Igor V; Sharakhova, Maria V; Sebra, Robert; Stockwell, Timothy B; Bergman, Nicholas H; Sutton, Granger G; Phillippy, Adam M; Piermarini, Peter M; Shabman, Reed S

    2018-03-01

    The 50-year-old Aedes albopictus C6/36 cell line is a resource for the detection, amplification, and analysis of mosquito-borne viruses including Zika, dengue, and chikungunya. The cell line is derived from an unknown number of larvae from an unspecified strain of Aedes albopictus mosquitoes. Toward improved utility of the cell line for research in virus transmission, we present an annotated assembly of the C6/36 genome. The C6/36 genome assembly has the largest contig N50 (3.3 Mbp) of any mosquito assembly, presents the sequences of both haplotypes for most of the diploid genome, reveals independent null mutations in both alleles of the Dicer locus, and indicates a male-specific genome. Gene annotation was computed with publicly available mosquito transcript sequences. Gene expression data from cell line RNA sequence identified enrichment of growth-related pathways and conspicuous deficiency in aquaporins and inward rectifier K+ channels. As a test of utility, RNA sequence data from Zika-infected cells were mapped to the C6/36 genome and transcriptome assemblies. Host subtraction reduced the data set by 89%, enabling faster characterization of nonhost reads. The C6/36 genome sequence and annotation should enable additional uses of the cell line to study arbovirus vector interactions and interventions aimed at restricting the spread of human disease.

  18. Crystal field effect in the uranium compounds - model calculations for CsUF6, Cs2UCl6 and UCl4

    International Nuclear Information System (INIS)

    Gajek, Z.; Mulak, J.

    1987-01-01

    A practical crystal field model allowing one to estimate the crystal field parameters from first principles is presented and applied to the actinide compounds. The model results directly from the renormalization (and reduction) procedure of the true Schroedinger equation for an effective Hamiltonian acting on the 5f spin-orbitals only. In practice this approach becomes convergent with the ab initio model of Newman. Three ionic uranium compounds: CsUF 6 , Cs 2 UCl 6 and UCl 4 have served as examples of the application. The results obtained, particularly for the first two compounds, are in good agreement with the experimental data. The contributions of different mechanisms responsible for the crystal field effect are discussed. (author)

  19. Genetic, biochemical, and structural characterization of a new densovirus isolated from a chronically infected Aedes albopictus C6/36 cell line

    International Nuclear Information System (INIS)

    Chen Senxiong; Cheng Lingpeng; Zhang Qinfen; Lin Wei; Lu Xinying; Brannan, Jennifer; Zhou, Z.H.; Zhang Jingqiang

    2004-01-01

    We report the isolation, sequencing, biochemical, and structural characterization of a previously undescribed virus in a chronically infected Aedes albopictus C6/36 cell line. This virus is identified as a new densovirus under the Densovirinae subfamily of the Parvoviridae based on its biological and morphologic properties as well as sequence homologies, and is tentatively designated A. albopictus C6/36 cell densovirus (C6/36 DNV). Analysis of the 4094 nt of the C6/36 DNV genome revealed that the plus strand had three large open reading frames (ORFs): a left ORF, a right ORF, and a mid-ORF (within the left ORF), whose potential coding capacities are 91.0, 40.8, and 41.2 kDa, respectively. The left ORF likely encodes the nonstructural protein NS-1, which contains NTP-binding and helicase domains. The right ORF likely encodes structural proteins, VP1 and VP2. Our analyses revealed that C6/36 DNV has a similar genomic organization and shares very high homology in nucleotide sequence and amino acid sequences with Aedes aegypti densovirus (AaeDNV) and A. albopictus densovirus (AalDNV), members of the genus Brevidensovirus of the Densovirinae. Similar to other densoviruses, C6/36 DNV has a different genomic organization and no recognizable sequence homology with viruses in the Parvovirinae. The three-dimensional (3D) reconstruction of the C6/36 DNV at 15.6-A resolution by electron cryomicroscopy (cryoEM) revealed distinctive outer surface features not previously seen in other parvoviruses, indicating structural divergence of densoviruses, in addition to its genomic differences, while the inner surface of the C6/36 DNV capsid exhibits features that are conserved among parvoviruses

  20. 6-Chloro-N′-(2-hydroxy-1-naphthylmethylenenicotinohydrazide

    Directory of Open Access Journals (Sweden)

    Feng Zhi

    2008-01-01

    Full Text Available The title compound, C17H12ClN3O2, was synthesized by the Schiff base condensation reaction of 2-hydroxy-1-naphthaldehyde with 6-chloronicotinic acid hydrazide in a methanol solution. The molecule displays a trans configuration with respect to the C=N and C—N bonds. The dihedral angle between the naphthyl ring system and the pyridine ring is 7.6 (4°. There is an intramolecular O—H...N hydrogen bond. The crystal structure is stabilized by intermolecular N—H...O and C—H...O hydrogen bonds, forming chains running along the b axis.

  1. Experimental and semi-empirical and DFT calculational studies on (e)-2-(1-(2-(4-methylphenylsulfonamido) ethyliminio) ethyl) phenolate

    International Nuclear Information System (INIS)

    Alpaslan, G.; Agar, E.; Ersahin, F.; Isik, S.; Erdoenmez, A.

    2010-01-01

    The molecular and crystal structure of the title compound, C 1 7H 2 0N 2 O 3 S, has been determined by X-ray single crystal diffraction technique. The compound crystallizes in the monoclinic, space group P2 1 /n with unit cell dimensions a=11.4472(6), b=11.1176(4), c=13.4873(7)A 0 , M r =332.41, V=1639.36(13)A 03 , Z=4, R 1 =0.034 and wR 2 =0.097. The molecule adopts a zwitterionic form, stabilized by an intramolecular N + -H 2 O - type ionic weak hydrogen bond. The molecule pack via intermolecular N-H 2 O hydrogen bonds which, together with an intramolecular N + -H 2 O - bond, form an S(6)R 2 4 (4)S(6) motif. Calculational studies were performed by using AM1, PM3 semi-empirical and DFT methods. Geometry optimizations of compound have been carried out by using three semi-empirical methods and DFT method and bond lengths, bond and torsion angles of title compound have been determined. Atomic charge distribution have been obtained from AM1, PM3 and DFT. In order to determine conformational flexibility on the molecule, molecular energy profile of the title compound was obtained with respect to the selected torsion angle T(N1-C9-C10-N2), which is varied from -180 degrees to +180 degrees in every 10 via PM3 semi-empirical method.

  2. Construction of 3.6m ARIES telescope enclosure with eccentric pier at Devasthal, Nainital

    Science.gov (United States)

    Bangia, Tarun

    Space optimized enclosure with eccentric pier for 3.6m ARIES telescope presents construction challenges at the unique observing site of Devasthal, Nainital, India. Enclosure comprises of about 16.5m diameter and 14m high insulated steel framed cylindrical dome rotating on a 14m high stationery dome supporting structure and a 24m × 12m extension structure building for accommodating aluminizing plant and ventilation system etc. Great deal of manual and mechanical excavation was carried out at the rocky site using rock breaking and JCB machines. Foundation bolts for columns of dome supporting structure and extension structure building were grouted after alignment with total station. A 7m diameter hollow cylindrical pier isolated from other structures and 1.85m eccentric with dome center designed due to space limitation at site is being casted for mounting 150 MT mass of the largest 3.6m telescope in the country. A 7m diameter template was fabricated for 3.6m pier top. Most of enclosure components are manufactured and tested in works before assembly/erection at site. Dome drive was tested with dummy loads using VVVF drive with 6 drive and 12 idler wheel assemblies at works to simulate dome weight and smooth operation before erection at site. A 4.2m wide motorized windscreen is being manufactured with a special grade synthetic fabric to withstand wind speed up to 15m/s.

  3. Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study.

    Science.gov (United States)

    Di Paolo, Matias; Bossi, Mariano L; Baggio, Ricardo; Suarez, Sebastián A

    2016-10-01

    The synthesis, characterization, structural analysis and fluorescence properties of two rhodamine 6G derivatives are described, namely a propargylamine derivative, 3',6'-bis(ethylamino)-2',7'-dimethyl-2-(methylcyanide)spiro[isoindole-1,9'-xanthen]-3(2H)-one (I), and a γ-aminobutyric acid (GABA) derivative, 3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl)butyricacid (II). Both structures are compared with four similar ones from the Cambridge Structural Database (CSD), and the interactions involved in the stabilization are analyzed using the atoms in molecules (AIM) theory. Finally, a single-crystal in-situ reaction study is presented, carried out by fluorescence methods, which enabled the `opening' of the spirolactam ring in the solid phase.

  4. 3,6-Dithiaoctane-1,8-dicarboxylic acid and its metal complexes

    NARCIS (Netherlands)

    Bellaart, A.C.; Verbeek, J.L.

    1969-01-01

    A soln. contg. 1.5 g 3,6-dithiaoctane-1,8-dicarboxylic acid (HL) in 20 ml H2O was treated with 1.8 g Ag2O for 20 min on a boiling water bath to give H[AgL2], m.p. 115-16 Deg (uncor.). A structure is proposed on the basis of ir spectral studies and elec. cond. measurements. H[CuL2] was similarly

  5. Mosquito cell line C6/36 shows resistence to Cyt1Aa6

    Czech Academy of Sciences Publication Activity Database

    Zhang, L.; Huang, E.; Tang, B.; Guan, X.; Gelbič, Ivan

    2012-01-01

    Roč. 50, č. 4 (2012), s. 265-269 ISSN 0019-5189 R&D Projects: GA MŠk 2B08003 Grant - others:National Nature Science Foundation of China(CN) 31071745; Science Foundation of the Ministry of Education of China(CN) 20093515110010; Science Foundation of the Ministry of Education of China(CN) 20093515120010; Transformation Fund for Agricultural Science and Technology Achievements(CN) 2010GB2C400212; Fujian Colleges and Universities for the Development of the West Strait(CN) 0b08b005 Institutional research plan: CEZ:AV0Z50070508 Keywords : Bacillus thuringiensis * C6/36 cells * indirect immunofluorescence assay Subject RIV: ED - Physiology Impact factor: 1.195, year: 2012 http://nopr.niscair.res.in/bitstream/123456789/13748/1/IJEB%2050(4)%20265-269.pdf

  6. Energy Information Data Base. Serial titles: Supplement 6. February 1978-September 1979

    International Nuclear Information System (INIS)

    1979-09-01

    This supplement contains changes and additions to TID-4579-R10 (the authority list for serial titles used by the DOE Technical Information Center), and is intended to be used with that publication. Supplements are cumulative from February 1978 until another revision is issued

  7. Aquachlorido{6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene]diphenolato-κ2O1,N,N′,O1′}cobalt(III dimethylformamide monosolvate

    Directory of Open Access Journals (Sweden)

    Yun Wei

    2012-04-01

    Full Text Available In the title compound, [Co(C18H18N2O4Cl(H2O]·C3H7NO, the CoIII ion is six-coordinated by a tetradentate 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene]diphenolate ligand, with a chloride ion and an aqua ligand in the apical positions. The compound crystallized as a dimethylformamide (DMF monosolvate. In the crystal, complex molecules are linked via O—Hwater...O hydrogen bonds to form a dimer-like arrangement. These dimers are linked via a C—H...Cl interaction, and the DMF molecule is linked to the complex molecule by C—H...O interactions.

  8. 2-[(2,4,4,6,6-Pentachloro-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinin-2-ylazanidyl]pyridinium

    Directory of Open Access Journals (Sweden)

    Safaa A. Ahmed

    2012-02-01

    Full Text Available The title compound, C5H5Cl5N5P3, crystallizes as a zwitterion in which the pyridine N atom is protonated. An S(6 ring motif is formed via an intramolecular C—H...N hydrogen bond. The triazatriphosphinine ring adopts an envelope conformation, with one N atom displaced by 0.145 (1 Å from the other atoms. In the crystal, N—H...N and C—H...N hydrogen bonds link the molecules into centrosymmetric dimers containing one R22(7 ring motif and two R22(8 ring motifs.

  9. 36 CFR 293.6 - Commercial enterprises, roads, motor vehicles, motorized equipment, motorboats, aircraft...

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Commercial enterprises, roads..., DEPARTMENT OF AGRICULTURE WILDERNESS-PRIMITIVE AREAS § 293.6 Commercial enterprises, roads, motor vehicles... National Forest Wilderness no commercial enterprises; no temporary or permanent roads; no aircraft landing...

  10. Ex-Post Analysis of Land Title Registration in Ghana Since 2008 Merger

    Directory of Open Access Journals (Sweden)

    Richmond J. Ehwi

    2016-04-01

    Full Text Available Land ownership and security of title have continued to dominate land management discourses in many developing economies, leading to a proliferation of studies that explore, among other things, the nexus between land title registration and land security, women’s access to land, innovation in agriculture, access to finance, and economic development. For many years, Ghana experienced minimal success in formalizing land ownership and title registration. However, public confidence and expectations were raised once more in 2008 with the merger of four disparate land agencies into the New Lands Commission (NLC under the overarching ambit of the Land Administration Project (LAP. This article contributes to existing studies by evaluating the impact of the 2008 merger. This is accomplished by matching the project’s stated objectives with actual outcomes and situating the findings in the broader theoretical debate about land title registration and economic development. Using data gathered through interviews with officials of the Greater Accra Lands Commission and with prospective land title holders, the study concludes that there have not been any great gains in achieving the complete digitization of the title registration process and follow-up procedures. However, there has been a reduction in the turn-around time for processing land documents, from more than 36 months to about 3 months, as well as increased public awareness about the process of title registration. The study recommends further training of staff members of the NLC in handling the digitization process, institutionalization of anti-corruption and anti-bribery practices, and the introduction of a well-functioning customer feedback system.

  11. Low-temperature heat-capacity study of the U6X (XequivalentMn, Fe, Co, Ni) compounds

    International Nuclear Information System (INIS)

    Yang, K.N.; Maple, M.B.; DeLong, L.E.; Huber, J.G.; Junod, A.

    1989-01-01

    Measurements of the superconducting- and normal-state heat capacity of U 6 X (XequivalentMn, Fe, Co, Ni) compounds have been performed over a temperature range 1 Kapprox. 6 X compounds have strong renormalizations of the free-carrier effective mass m/sup */ in the range 10m/sub e/approx. 6 X heat capacities suggest the presence of high densities of low-energy excitations of undetermined nature. The results are analyzed in terms of models appropriate to heavy-fermion liquids, and anisotropic or strong-coupled superconductors. The U 6 X compounds form a link between relatively low-m/sup */, high-transition-temperature A15 compounds and the more extreme examples of heavy-fermion superconductors such as UBe/sub 13/, UPt 3 , and CeCuSi 2 for which m/sup */∼10 2 m/sub e/. .AE

  12. Synthesis and characteristics of a novel 3-D organic amine oxalate: (enH2)1.5[Bi3(C2O4)6(CO2CONHCH2CH2NH3)].6.5H2O

    International Nuclear Information System (INIS)

    Yu Xiaohong; Zhang Hanhui; Cao Yanning; Chen Yiping; Wang Zhen

    2006-01-01

    A novel 3-D compound of (enH 2 ) 1.5 [Bi 3 (C 2 O 4 ) 6 (CO 2 CONHCH 2 CH 2 NH 3 )].6.5H 2 O has been hydrothermally synthesized and characterized by IR, ultraviolet-visible diffuse reflection integral spectrum (UV-Vis DRIS), fluorescence spectra, TGA and single crystal X-ray diffraction. It crystallizes in the monoclinic system, space group C2/c with a=31.110(8)A, b=11.544(3)A, c=22.583(6)A, β=112.419(3) o , V=7497(3)A 3 , Z=8, R 1 =0.0463 and wR 2 =0.1393 for unique 7686 reflections I>2σ(I). In the title compound, the Bi atoms have eight-fold and nine-fold coordination with respect to the oxygen atoms, with the Bi atoms in distorted dodecahedron and monocapped square antiprism, respectively. The 3-D framework of the title compound contains channels and is composed of linkages between Bi atoms and oxalate units, forming honeycomb-like layers with two kinds of 6+6 membered aperture, and pillared by oxalate ligands and monamide groups. The channels have N-ethylamine oxalate monamide group - CO 2 CONHCH 2 CH 2 NH 3 + , which is formed by the in situ reaction of en and oxalate acid. At room temperature, the complex exhibits intense blue luminescence with an emission peak at 445nm

  13. Water-soluble octahedral molybdenum cluster compounds Na2[Mo6I8(N3)6] and Na2[Mo6I8(NCS)6]: Syntheses, luminescence, and in vitro studies

    Czech Academy of Sciences Publication Activity Database

    Kirakci, Kaplan; Kubát, Pavel; Kučeráková, Monika; Šícha, Václav; Gbelcová, H.; Lovecká, P.; Grznárová, P.; Ruml, T.; Lang, Kamil

    2016-01-01

    Roč. 441, FEB (2016), s. 42-49 ISSN 0020-1693 R&D Projects: GA ČR GA13-05114S Institutional support: RVO:61388980 ; RVO:61388955 ; RVO:68378271 Keywords : Cluster compounds * Luminescence * Singlet oxygen * Toxicity Subject RIV: CA - Inorganic Chemistry; CF - Physical ; Theoretical Chemistry (UFCH-W); CF - Physical ; Theoretical Chemistry (FZU-D) Impact factor: 2.002, year: 2016

  14. High dimensional and high resolution pulse sequences for backbone resonance assignment of intrinsically disordered proteins

    Energy Technology Data Exchange (ETDEWEB)

    Zawadzka-Kazimierczuk, Anna; Kozminski, Wiktor, E-mail: kozmin@chem.uw.edu.pl [University of Warsaw, Faculty of Chemistry (Poland); Sanderova, Hana; Krasny, Libor [Institute of Microbiology, Academy of Sciences of the Czech Republic, Laboratory of Molecular Genetics of Bacteria, Department of Bacteriology (Czech Republic)

    2012-04-15

    Four novel 5D (HACA(N)CONH, HNCOCACB, (HACA)CON(CA)CONH, (H)NCO(NCA)CONH), and one 6D ((H)NCO(N)CACONH) NMR pulse sequences are proposed. The new experiments employ non-uniform sampling that enables achieving high resolution in indirectly detected dimensions. The experiments facilitate resonance assignment of intrinsically disordered proteins. The novel pulse sequences were successfully tested using {delta} subunit (20 kDa) of Bacillus subtilis RNA polymerase that has an 81-amino acid disordered part containing various repetitive sequences.

  15. 2,4,6-Triamino-1,3,5-triazine-1,3-diium aquapentafluoridoaluminate

    Directory of Open Access Journals (Sweden)

    V. Maisonneuve

    2008-04-01

    Full Text Available The title compound, (C3H8N6[AlF5(H2O], was obtained by solvothermal synthesis from the reaction of aluminium hydroxide, 1,3,5-triazine-2,4,6-triamine (melamine, aqueous HF and water at 323 K for 48 h. The structure consists of [AlF5(H2O]2− octahedra and diprotonated melaminium cations. Cohesion is ensured by a three-dimensional network of hydrogen bonds.

  16. Bis(2,6-dimethylpyridine-κNgold(I tetrachloridoaurate(III

    Directory of Open Access Journals (Sweden)

    Hamid Reza Khavasi

    2008-10-01

    Full Text Available In the cation of the title compound, [Au(C7H9N2][AuCl4], the AuI atom is two-coordinated in a linear arrangement by two N atoms from two 2,6-dimethylpyridine ligands. In the anion, the AuIII atom has a virtually square-planar coordination geometry. The Au atoms both are located on centers of inversion. The crystal structure involves intermolecular C—H...Cl hydrogen bonds.

  17. `Pd20Sn13' revisited: crystal structure of Pd6.69Sn4.31

    Directory of Open Access Journals (Sweden)

    Wilhelm Klein

    2015-07-01

    Full Text Available The crystal structure of the title compound was previously reported with composition `Pd20Sn13' [Sarah et al. (1981. Z. Metallkd, 72, 517–520]. For the original structure model, as determined from powder X-ray data, atomic coordinates from the isostructural compound Ni13Ga3Ge6 were transferred. The present structure determination, resulting in a composition Pd6.69Sn4.31, is based on single crystal X-ray data and includes anisotropic displacement parameters for all atoms as well as standard uncertainties for the atomic coordinates, leading to higher precision and accuracy for the structure model. Single crystals of the title compound were obtained via a solid-state reaction route, starting from the elements. The crystal structure can be derived from the AlB2 type of structure after removing one eighth of the atoms at the boron positions and shifting adjacent atoms in the same layer in the direction of the voids. One atomic site is partially occupied by both elements with a Pd:Sn ratio of 0.38 (3:0.62 (3. One Sn and three Pd atoms are located on special positions with site symmetry 2. (Wyckoff letter 3a and 3b.

  18. The Bi{sup 3+} 6s and 6p electron binding energies in relation to the chemical environment of inorganic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Awater, Roy H.P., E-mail: R.H.P.Awater@tudelft.nl; Dorenbos, Pieter

    2017-04-15

    This paper provides an overview and interpretation of the spectroscopic data of the Bi{sup 3+} activator ion in 117 different inorganic compounds. The energies of the metal-to-metal charge transfer and the interconfigurational transitions of Bi{sup 3+} were collected from the archival literature. Using these energies, in combination with the electron binding energies in the host conduction and valence band, the binding energies in the 6s ground state and 6p excited state were determined relative to the vacuum level. The locations of the Bi{sup 3+} energy levels within the forbidden gap of the host compound provides valuable insight in the physical properties of the Bi{sup 3+} activator ion in different compounds.

  19. Pocketguide to Title XX: Social Services to Children & Youth.

    Science.gov (United States)

    Mueller, Candace

    This brief guide to Title XX contains the following chapter headings: (1) Historical Overview of the Social Services Program, (2) The Provisions of Title XX at a Glance, (3) Implications for Services to Children and Youth, (4) The Planning Process, (5) Publication of the Proposed Plan and the Public Comment Period, (6) After the Final Plan is…

  20. Technology projects for characterization--monitoring of volatile organic compounds (VOCs)

    Energy Technology Data Exchange (ETDEWEB)

    Junk, G.A.; Haas, W.J. Jr.

    1992-07-01

    One hundred thirty technology project titles related to the characterization of volatile organic compounds (VOCs) at an arid site are listed alphabetically by first contact person in a master compilation that includes phone numbers, addresses, keywords, and short descriptions. Separate tables are presented for 62 field-demonstrated, 36 laboratory-demonstrated, and 35 developing technology projects. The technology projects in each of these three categories are also prioritized in separate summary tables. Additional tables are presented for a number of other categorizations of the technology projects: In Situ; Fiberoptic; Mass Spectrometer; Optical Spectroscopy; Raman or SERS; Ion Mobility or Acoustic; Associated; and Commercial. Four lists of contact person names are provided so details concerning the projects that deal with sampling, and VOCs in gases, waters, and soils (sediments) can be obtained. Finally, seven wide-ranging conclusions based on observations and experiences during this work are presented.

  1. Technology projects for characterization--monitoring of volatile organic compounds (VOCs)

    International Nuclear Information System (INIS)

    Junk, G.A.; Haas, W.J. Jr.

    1992-07-01

    One hundred thirty technology project titles related to the characterization of volatile organic compounds (VOCs) at an arid site are listed alphabetically by first contact person in a master compilation that includes phone numbers, addresses, keywords, and short descriptions. Separate tables are presented for 62 field-demonstrated, 36 laboratory-demonstrated, and 35 developing technology projects. The technology projects in each of these three categories are also prioritized in separate summary tables. Additional tables are presented for a number of other categorizations of the technology projects: In Situ; Fiberoptic; Mass Spectrometer; Optical Spectroscopy; Raman or SERS; Ion Mobility or Acoustic; Associated; and Commercial. Four lists of contact person names are provided so details concerning the projects that deal with sampling, and VOCs in gases, waters, and soils (sediments) can be obtained. Finally, seven wide-ranging conclusions based on observations and experiences during this work are presented

  2. The Factors That Influence Mother's Behavior in Giving Food Complement of Breast Milk for Baby in Age 6 - 36 Month

    OpenAIRE

    Kristianto, Yonatan; Sulistyarini, Tri

    2013-01-01

    Food complement of breast milk is food that contain nutrient, giving to child in age 636 months to complete nutrient requirement. Giving that food is precisely influenced by mother's behavior who have baby. The objective of the research to prove the factors that influence mother's behavior in giving food complement breast milk to child in age 636 months.The design of the research was correlation. The population was all mother who have children in age 636 months at Posyandu Mawar I Karangre...

  3. 15α,20β-Dihydroxy-6β-methoxy-6,7-seco-6,20-epoxy-1,7-olide-ent-kaur-16-ene

    Directory of Open Access Journals (Sweden)

    Fu-Lin Yan

    2010-04-01

    Full Text Available The title compound, C21H30O6, a natural ent-kaurane diterpenoid, was obtained from the medicinal plant Isodon serra. The five rings in the molecule exhibit the expected cis and trans junctions. The three six-membered rings adopt chair, twist-boat and boat conformations, while two five-membered rings adopt envelope conformations. There are two molecules in the asymmetric unit, related by a non-crystallographic twofold screw axis; the main difference is in the different degrees of distortion of ring B. In the crystal, the molecules are linked by intermolecular O—H...O hydrogen bonds, forming chains along the b axis.

  4. 2-{2,4,6-Tris(bromomethyl-3,5-bis[(1,3-dioxoisoindolin-2-ylmethyl]benzyl}isoindoline-1,3-dione toluene monosolvate

    Directory of Open Access Journals (Sweden)

    Niklas Koch

    2014-04-01

    Full Text Available In the title compound, C36H24Br3N3O6·C7H8, the toluene solvent molecule is associated with the receptor molecule via C—H...π bonding. The planes of the phthalimido groups are inclined at 77.0 (1, 63.0 (1 and 77.8 (1° with respect to the benzene ring. The molecular conformation is stabilized by C—H...O and C—H...Br hydrogen bonds. The crystal structure features non-classical hydrogen bonds of the C—H...N, C—H...O and C—H...Br type, leading to a three-dimensional cross-linking of molecules. The pattern of non-covalent intermolecular bonding is completed by O...Br halogen bonds [3.306 (3 Å], which link the receptor molecules into infinite strands extending along the a-axis direction.

  5. Crystal structure of the new ternary indide CePt{sub 2}In{sub 2} and the isostructural compounds RPt{sub 2}In{sub 2} (R=La,Pr,Nd)

    Energy Technology Data Exchange (ETDEWEB)

    Zaremba, V.; Galadzhun, Y.; Kalychak, Y. [I. Franko Lviv State Univ. (Ukraine). Inorganic Chem. Dept.; Kaczorowski, D.; Stepien-Damm, J. [W. Trzebiatowski Institute of Low Temperature and Structural Research, Polish Academy of Sciences, Okolna Str. 2, 50-950, Wroclaw (Poland)

    2000-01-10

    The title compounds have been synthesized by arc melting of the elemental components and subsequent annealing at 870 K. The crystal structure of CePt{sub 2}In{sub 2} was determined from single-crystal X-ray data (R=0.0437 for 1439 F values and 62 variables). It represents a new structure type of intermetallic compounds: P2{sub 1}/m, mP20, a=10.189(6), b=4.477(4), c=10.226(6) A, {beta}=117.00(5) , V=416.1(1) A{sup 3}, Z=4. Isostructural compounds have been found also for La,Pr, and Nd. (orig.)

  6. Complexes of 3.6 kDa Maltodextrin with Some Metals

    Directory of Open Access Journals (Sweden)

    Christopher H. Schilling

    2004-06-01

    Full Text Available Preparation of magnesium, lanthanum, and bismuth(III complexes of 3.6 kDa maltodextrin and some properties of the resulting materials are presented. The metal derivatives contain metals bound to the oxygen atoms of the hydroxyl groups of maltodextrin. Additionally, the metal atoms are coordinated to the hydroxyl groups of the D-glucose units of the macroligand. Such coordination stabilized the metal – oxygen bond against hydrolysis, even in boiling water. The presence of magnesium and lanthanum atoms increased the thermal stability of maltodextrin, whereas bismuth atoms decreased it.

  7. NCI calculations for understanding a physical phase transition in (C6H14N2)[Mn(H2O)6](SeO4)2

    Science.gov (United States)

    Naïli, Houcine; François, Michel; Norquist, Alexander J.; Rekik, Walid

    2017-12-01

    An organically templated manganese selenate, (C6H14N2)[Mn(H2O)6](SeO4)2, has been synthesized by slow evaporation and crystallographically characterized. The title compound crystallizes at room temperature in the monoclinic centrosymmetric space group P21/n, with the following unit cell parameters: a = 7.2373(4) Å; b = 12.5600(7) Å; c = 10.1945(7) Å; β = 91.155(4)°, V = 926.50(10) Å3and Z = 2. Its crystal structure is built of manganese(II) cations coordinated by six water molecules in octahedral geometry, disordered dabcodiium cations and selenate anions, resulting in an extensive hydrogen-bonding network. Differential scanning calorimetry (DSC) measurement indicated that the precursor undergoes a reversible phase transition at about 216 and 218 K during the cooling and heating processes respectively. Below this temperature the title compound is noncentrosymmetric with space group P21 and lattice parameters a = 7.2033(8) Å; b = 12.4981(13) Å; c = 10.0888(11) Å; β = 91.281(2)°, V = 908.04(17) Å3 and Z = 2. The disorder-order transformation of the C atoms of (C6H14N2)2+ cation may drive the structural phase transition. The low temperature phase obtained by breaking symmetry presents a fully ordered structure. The noncovalent interaction (NCI) method was used not only to locate, quantify, and visualize intermolecular interactions in the high and low temperature phases but also to confirm the phase transition detected by DSC measurement. The thermal decomposition of this new compound proceeds through four stages giving rise to the manganese oxide as final product at 850 °C.

  8. C3-6 laminoplasty for cervical spondylotic myelopathy maintains satisfactory long-term surgical outcomes.

    Science.gov (United States)

    Sakaura, Hironobu; Hosono, Noboru; Mukai, Yoshihiro; Iwasaki, Motoki; Yoshikawa, Hideki

    2014-08-01

    Study Design Prospective cohort study. Objective To clarify long-term surgical outcomes of C3-6 laminoplasty preserving muscles attached to the C2 and C7 spinous processes in patients with cervical spondylotic myelopathy (CSM). Methods Twenty patients who underwent C3-6 open-door laminoplasty for CSM and who were followed for 8 to 10 years were included in this study. Myelopathic symptoms were assessed using Japanese Orthopaedic Association (JOA) score. Axial neck pain was graded as severe, moderate, or mild. C2-7 angle was measured using lateral radiographs of the cervical spine before surgery and at final follow-up. Results Mean JOA score before surgery (11.7) was significantly improved to 15.2 at the time of maximum recovery (1 year after surgery), declining slightly to 14.9 by the latest follow-up. Late deterioration of JOA score developed in eight patients, but was unrelated to the cervical spine lesions in each case. No patient suffered from prolonged postoperative axial neck pain at final follow-up. The mean C2-7 angle before surgery (13.8 degrees) significantly increased to 19.2 degrees at final follow-up. Conclusions C3-6 laminoplasty preserving muscles attached to the C2 and C7 spinous processes in patients with CSM maintained satisfactory long-term neurologic improvement with significantly reduced frequencies of prolonged postoperative axial neck pain and loss of C2-7 angle after surgery.

  9. 36 CFR 223.6 - Cutting and removal of timber in free-use areas.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Cutting and removal of timber... OF AGRICULTURE SALE AND DISPOSAL OF NATIONAL FOREST SYSTEM TIMBER General Provisions § 223.6 Cutting... or designated by forest officers may be cut and removed for personal use for domestic purposes...

  10. Aqua(dicyanamido{μ-6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethylidyne]diphenolato}copper(IIsodium(I

    Directory of Open Access Journals (Sweden)

    Yong-Miao Shen

    2009-04-01

    Full Text Available The molecule of the title compound, [CuNa(C18H18N2O4(C2N3(H2O], is almost planar, the maximum deviation from the molecular plane being 0.48 (4 Å. The coordination environment of the Cu2+ ion is distorted square-planar and it is N2O2-chelated by the Schiff base ligand. The Na+ cation has a distorted octahedral environment defined by the four O atoms of the 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethylidyne]diphenolate ligand, a water ligand and a dicyanamide anion.

  11. Reaction of Topopah Spring tuff with J-13 water: a geochemical modeling approach using the EQ3/6 reaction path code

    International Nuclear Information System (INIS)

    Delany, J.M.

    1985-01-01

    EQ3/6 geochemical modeling code package was used to investigate the interaction of the Topopah Spring Tuff and J-13 water at high temperatures. EQ3/6 input parameters were obtained from the results of laboratory experiments using USW G-1 core and J-13 water. Laboratory experiments were run at 150 and 250 0 C for 66 days using both wafer-size and crushed tuff. EQ3/6 modeling reproduced results of the 150 0 C experiments except for a small increase in the concentration of potassium that occurs in the first few days of the experiments. At 250 0 C, the EQ3/6 modeling reproduced the major water/rock reactions except for a small increase in potassium, similar to that noted above, and an overall increase in aluminum. The increase in potassium concentration cannot be explained at this time, but the increase in A1 concentration is believed to be caused by the lack of thermodynamic data in the EQ3/6 data base for dachiardite, a zeolite observed as a run product at 250 0 C. The ability to reproduce the majority of the experimental rock/water interactions at 150 0 C validates the use of EQ3/6 as a geochemical modeling tool that can be used to theoretically investigate physical/chemical environments in support of the Waste Package Task of NNWSI

  12. Synthesis, structure and photochromic properties of a novel 1,6-hexanediamine trimolybdate supramolecular compound

    International Nuclear Information System (INIS)

    Sun Dehui; Zhang Hongjie; Zhang Jilin; Zheng Guoli; Yu Jiangbo; Gao Shuyan

    2007-01-01

    A novel supramolecular compound 1,6-hexanediamine trimolybdate ((C 6 H 18 N 2 )[Mo 3 O 10 ], denoted as HDAMo) has been synthesized by a hydrothermal method and its structure has been characterized by elemental analyses, Fourier transform infrared (FT-IR) spectra, single-crystal X-ray diffraction (XRD) technique. This single crystal compound consists of protonated 1,6-hexanediamine (HDA) cations and polyoxometalate [Mo 3 O 10 ] 2- anions. Its crystal structure belongs to monoclinic system (space group P2 1 /n) with a=7.7508(14), b=11.467(2), c=16.167(3) A, β=92.689(3) o , V=1435.3(5) A 3 , Z=4 and D calc =2.619 g cm -3 . The final statistics based on F 2 are GOF=0.980, R 1 =0.0261 and wR 2 =0.0506 for I>2σ(I). XRD analysis revealed that in the crystal structure of HDAMo, novel infinite [Mo 3 O 10 ] 2- chains parallel to a axis are made up of distorted MoO 6 octahedra connected by corners and edges. The protonated HDA cations occupy channels formed by [Mo 3 O 10 ] 2- chains and exhibit strong hydrogen bond interactions to terminal and bridging oxo groups of the chains. The [Mo 3 O 10 ] 2- chains linked through protonated HAD cations formed a one-dimensional network. The HDAMo compound shows novel photochromic properties, i.e., its color changes from white to reddish brown gradually under UV irradiation. XRD, FT-IR, ESR spectra and XPS are used to investigate the photochromic behavior of the compound. - Graphical abstract: Crystal structure of 1,6-hexanediamine trimolybdate (C 6 H 18 N 2 )[Mo 3 O 10 ] along c-axis. It consists of protonated 1,6-hexanediamine (HDA) and novel infinite chains [Mo 3 O 10 ] 2- . Infinite chains [Mo 3 O 10 ] 2- are made up of distorted MoO 6 octahedron connected by edges and corners and are linked through protonated HDA cations into a one-dimensional network. What is more, the compound displays photochromic properties and may be applied to the field of photosensitive materials

  13. 42 CFR 476.86 - Correlation of Title XI functions with Title XVIII functions.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 4 2010-10-01 2010-10-01 false Correlation of Title XI functions with Title XVIII functions. 476.86 Section 476.86 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF...) Qio Review Functions § 476.86 Correlation of Title XI functions with Title XVIII functions. (a...

  14. Magnetic Study of the Novel Polynuclear Compound [Cu(II)(6-Mercaptopurinolate 2-)] n

    Science.gov (United States)

    Acevedo-Chávez, Rodolfo; Costas, María. Eugenia; Escudero, Roberto

    1997-08-01

    Chemical reactions between Cu(II) and 6-mercaptopurine, both in aqueous and in methanolic media, yield the novel amorphous polynuclear compound [Cu(II)(6-mercaptopurinolate)2-]n, which is also obtained from diverse Cu(II)-heterocyclic ligand competitive reactions. The kinetic and thermodynamic stabilities associated with the formation of this compound are inferred as remarkable. The spectroscopic data let us suggest the involvement of the exocyclic S(6) donor site and the N atoms in the imidazolic moiety of the deprotonated heterocyclic ligand in the coordination to Cu(II) atoms, forming a distorted bidimensional metallic network. The magnetic studies show the existence of very weak antiferromagnetic coupling in the solid sample. This system represents the first example of a 1 : 1 metal : 6-mercaptopurinolate2-system with ad-type open shell metallic center. The magnetic study carried out also represents the first example of magnetic characterization for this type of polynuclear Cu(II) systems with the dianionic 6-mercaptopurine ligand.

  15. Crystal structure and magnetic properties of PrCo6.8-xCuxHf0.2 compounds

    International Nuclear Information System (INIS)

    Luo, J; Liang, J K; Guo, Y Q; Liu, Q L; Liu, F S; Yang, L T; Zhang, Y; Rao, G H

    2004-01-01

    The effects of Cu substitution on the crystal structure and magnetic properties of PrCo 6.8-x Cu x Hf 0.2 (x = 0-1.0) compounds were investigated by means of x-ray powder diffraction and magnetic measurements. The as-cast PrCo 6.8-x Cu x Hf 0.2 compounds crystallize in the TbCu 7 -type structure with the space group P6/mmm. The Curie temperature and magnetic anisotropy field decrease with increasing Cu content. A spin reorientation behaviour has been observed in the PrCo 6.8-x Cu x Hf 0.2 compounds. The addition of Cu weakens the anisotropy of the Co sublattice, leading to an increase in the spin reorientation temperature with increasing content of Cu

  16. Cosmic Ray Helium Isotopes From 0.2 to 3.6 GeV/nucleon

    DEFF Research Database (Denmark)

    Reimer, O.; Hof, M.; Menn, W.

    1996-01-01

    mass by means of the velocity vs. magnetic rigidity technique. A model of the instrument response was developed in order to unfold the species and rigidity-dependent effects. Measurements and astrophysical interpretation of the ^3He/^4He isotope ratio from 0.2 to 3.6 GeV/nucleon will be presented...

  17. N-(4-Fluorophenyl-2,6-dimethyl-1,3-dioxan-4-amine

    Directory of Open Access Journals (Sweden)

    Gottimukkala Rambabu

    2013-11-01

    Full Text Available In the title compound, C12H16FNO2, the dioxane ring adopts a chair conformation with the methyl substituents and the C—N bond in equatorial orientations. Its mean plane subtends a dihedral angle of 40.17 (6° with the benzene ring. In the crystal, weak N—H...F hydrogen bonds link the molecules into C(7 chains propagating in [100].

  18. UL36 Rescues Apoptosis Inhibition and In vivo Replication of a Chimeric MCMV Lacking the M36 Gene

    Directory of Open Access Journals (Sweden)

    M. Zeeshan Chaudhry

    2017-07-01

    Full Text Available Apoptosis is an important defense mechanism mounted by the immune system to control virus replication. Hence, cytomegaloviruses (CMV evolved and acquired numerous anti-apoptotic genes. The product of the human CMV (HCMV UL36 gene, pUL36 (also known as vICA, binds to pro-caspase-8, thus inhibiting death-receptor apoptosis and enabling viral replication in differentiated THP-1 cells. In vivo studies of the function of HCMV genes are severely limited due to the strict host specificity of cytomegaloviruses, but CMV orthologues that co-evolved with other species allow the experimental study of CMV biology in vivo. The mouse CMV (MCMV homolog of the UL36 gene is called M36, and its protein product (pM36 is a functional homolog of vICA that binds to murine caspase-8 and inhibits its activation. M36-deficient MCMV is severely growth impaired in macrophages and in vivo. Here we show that pUL36 binds to the murine pro-caspase-8, and that UL36 expression inhibits death-receptor apoptosis in murine cells and can replace M36 to allow MCMV growth in vitro and in vivo. We generated a chimeric MCMV expressing the UL36 ORF sequence instead of the M36 one. The newly generated MCMVUL36 inhibited apoptosis in macrophage lines RAW 264.7, J774A.1, and IC-21 and its growth was rescued to wild type levels. Similarly, growth was rescued in vivo in the liver and spleen, but only partially in the salivary glands of BALB/c and C57BL/6 mice. In conclusion, we determined that an immune-evasive HCMV gene is conserved enough to functionally replace its MCMV counterpart and thus allow its study in an in vivo setting. As UL36 and M36 proteins engage the same molecular host target, our newly developed model can facilitate studies of anti-viral compounds targeting pUL36 in vivo.

  19. X-ray diffraction, vibrational and photoluminescence studies of the self-organized quantum well crystal H3N(CH2)6NH3PbBr4

    International Nuclear Information System (INIS)

    Dammak, T.; Fourati, N.; Boughzala, H.; Mlayah, A.; Abid, Y.

    2007-01-01

    We have prepared new semiconductor H 3 N(CH 2 ) 6 NH 3 PbBr 4 crystals which are self-assembled organic-inorganic hybrid materials. The grown crystals have been studied by X-ray diffraction, infrared absorption and Raman spectroscopy scattering. We found that the title compound, abbreviated 2C 6 PbBr 4 , crystallizes in a two-dimensional (2D) structure with a P2 1 /a space group. In the inorganic semiconductor sub-lattice, the corner sharing PbBr 6 octahedra form infinite 2D chains. The organic C 6 H 18 N 2 + ions form the insulator barriers between the inorganic semiconductor layers. Such a packing leads to a self-assembled multiple quantum well structure. Raman and infrared spectra of the title compound were recorded in the 50-500 and 400-4000 cm -1 frequency regions, respectively. The assignment of the observed Raman lines was performed by comparison with the homologous compounds. Transmission measurements on thin films of 2C 6 PbBr 4 , obtained by the spin coating method, revealed a strong absorption peak at 380 nm. Luminescence measurements showed an emission line at 402 nm associated with radiative recombinations of excitons confined within the PbBr 6 layers. The electron-hole binding energy is estimated at 180 meV

  20. Index to Nuclear Safety. A technical progress review by chronology, permuted title, and author. Vol. 11, No. 1 through Vol. 15, No. 6

    International Nuclear Information System (INIS)

    Cottrell, W.B.; Klein, A.

    1975-04-01

    This issue of the Index to Nuclear Safety covers only articles included in Nuclear Safety, Vol. 11, No. 1, through Vol. 15, No. 6. This index is presented in three sections as follows: Chronological List of Articles by Volume; Permuted Title (KWIC) Index; and Author Index. (U.S.)

  1. A new class of anticonvulsants possessing 6 Hz psychomotor seizure test activity: 2-(1H-benzotriazol-1-yl)-N'-[substituted] acetohydrazides.

    Science.gov (United States)

    Kumar, Praveen; Tripathi, Laxmi

    2012-05-01

    A series of 2-(1H-Benzotriazol-1-yl)-N'-[substituted]acetohydrazides were designed & synthesized keeping in view the structural requirement of pharmacophore and evaluated for anticonvulsant activity and neurotoxicity. The new compounds were characterized using FT-IR, 1H NMR, mass spectral data and elemental analysis. The anticonvulsant activity of the titled compounds was assessed using the 6 Hz psychomotor seizure test. The neurotoxicity was assessed using the rotorod method. The most active compound of the series was N'-[4-(1,3-Benzodioxol-5-yloxy)benzylidene]-2-(1H-benzotriazol-1-yl)acetohydrazide (BTA 9), which showed good activity with 75 % protection (3/4, 0.5 h) at a dose of 100 mg/kg in mice. All the compounds exhibited no neurotoxicity. A computational study was carried out for calculation of pharmacophore pattern and prediction of pharmacokinetic properties. Titled compounds have also exhibited good binding properties with epilepsy molecular targets such as glutamate, GABA (A) delta, GABA (A) alpha-1 receptors and Na/H exchanger, in Lamarckian genetic algorithm based flexible docking studies.

  2. Tipos de especies de insectos descritas de la Comunidad de Madrid, conservados en el Museo Nacional de Ciencias Naturales. Inventario Preliminar

    Directory of Open Access Journals (Sweden)

    Martín Albaladejo, C.

    2006-05-01

    Full Text Available This paper offers a list of insect species described from Comunidad de Madrid whose types are kept in the Collection of Entomology of the Museo Nacional de Ciencias Naturales (MNCN. This preliminary inventory includes 505 species and subspecific taxa.

    Este trabajo ofrece una relación de las especies de insectos que han sido descritas de la Comunidad de Madrid y cuyos ejemplares tipo se conservan en la Colección de Entomología del Museo Nacional de Ciencias Naturales (MNCN. Este inventario preliminar recoge 505 especies y táxones subespecíficos.

  3. 3-[(R-3,3-Dichloro-2-hydroxypropyl]-8-hydroxy-6-methoxy-1H-isochromen-1-one

    Directory of Open Access Journals (Sweden)

    Yong-Cheng Lin

    2008-09-01

    Full Text Available The title compound, C13H12Cl2O5, is an isocoumarin compound which has been isolated from the ethyl acetate extract of the fermentation broth of actinomycete Streptomyces sp. (V4 from the South China Sea. There are intra- and intermolecular hydrogen bonds and halogen bonds [Cl...Cl = 3.434 (2 Å; C—Cl...Cl = 121.6°]. The intermolecular O—H...O hydrogen bonds link molecules into chains along the b axis.

  4. Anti-inflammatory activities of compounds from twigs of Morus alba.

    Science.gov (United States)

    Tran, Huynh Nguyen Khanh; Nguyen, Van Thu; Kim, Jeong Ah; Rho, Seong Soo; Woo, Mi Hee; Choi, Jae Sui; Lee, Jeong-Hyung; Min, Byung Sun

    2017-07-01

    Five new compounds, 10-oxomornigrol F (1), (7″R)-(-)-6-(7″-hydroxy-3″,8″-dimethyl-2″,8″-octadien-1″-yl)apigenin (2), ramumorin A (3), ramumorin B (4), and (4S,7S,8R)-trihydroxyoctadeca-5Z-enoic acid (5), together with 31 known compounds (6-36), were isolated from the twigs of Morus alba (Moraceae). The chemical structures of these compounds were established using spectroscopic analyses, 1D and 2D NMR, high-resolution electrospray ionization mass spectrometry (HRESIMS), and Mosher's methods. The anti-inflammatory activities of the compounds were evaluated by investigating their ability to inhibit lipopolysaccharide (LPS)-induced nitric oxide (NO) production in macrophage RAW 264.7 cells. Compounds 1, 2, 13, 17, 19, 25-28, and 32 showed inhibitory effects with IC 50 values ranging from 2.2 to 5.3μg/mL. Compounds 1, 2, 17, 25, and 32 reduced LPS-induced inducible nitric oxide synthase (iNOS) expression in a concentration-dependent manner. In addition, pretreating the cells with compound 1, 17, and 32 significantly suppressed LPS-induced expression of cyclooxygenase-2 (COX-2) protein. Copyright © 2017. Published by Elsevier B.V.

  5. Synthesis, vibrational and optical properties of a new three-layered organic-inorganic perovskite (C4H9NH3)4Pb3I4Br6

    International Nuclear Information System (INIS)

    Dammak, T.; Elleuch, S.; Bougzhala, H.; Mlayah, A.; Chtourou, R.; Abid, Y.

    2009-01-01

    An organic-inorganic hybrid perovskite (C 4 H 9 NH 3 ) 4 Pb 3 I 4 Br 6 was synthesized and studied by X-ray diffraction, Raman and infrared spectroscopies, optical transmission and photoluminescence. The title compound, abbreviated (C 4 ) 4 Pb 3 I 4 Br 6 , crystallises in a periodic two-dimensional multilayer structure with P2 1 /a space group. The structure is built up from alternating inorganic and organic layers. Each inorganic layer consists of three sheets of PbX 6 (X=I, Br) octahedra. Raman and infrared spectra of the title compound were recorded in the 100-3500 and 400-4000 cm -1 frequency ranges, respectively. An assignment of the observed vibration modes is reported. Optical transmission measurements, performed on thin films of (C 4 ) 4 Pb 3 I 4 Br 6 , revealed two absorption bands at 474 and 508 nm. Photoluminescence measurements have shown a green emission peak at 519 nm.

  6. Aquachlorido{6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilodimethylidyne]diphenolato-κ2O1,N,N′,O1′}cobalt(III monohydrate

    Directory of Open Access Journals (Sweden)

    Jianxin Xing

    2009-04-01

    Full Text Available The title compound, [Co(C18H18N2O4Cl(H2O]·H2O, contains a distorted octahedral cobalt(III complex with a 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilodimethylidyne]diphenolate ligand, a chloride and an aqua ligand, and also a disordered water solvent molecule (half-occupancy. The CoIII ion is coordinated in an N2O3Cl manner. Weak O—H...O hydrogen bonds may help to stabilize the crystal packing.

  7. 20 CFR 404.535 - How much will we withhold from your title VIII and title XVI benefits to recover a title II...

    Science.gov (United States)

    2010-04-01

    ... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false How much will we withhold from your title... Officer § 404.535 How much will we withhold from your title VIII and title XVI benefits to recover a title II overpayment? (a) If past-due benefits are payable to you, we will withhold the lesser of the...

  8. Siemens Wind Power 3.6 MW wind turbines for large offshore wind farms

    Energy Technology Data Exchange (ETDEWEB)

    Akhmatov, Vladislav; Nygaard Nielsen, Joergen; Thisted, Jan; Groendahl, Erik; Egedal, Per; Noertoft Frydensbjerg, Michael; Jensen, Kim Hoej [Siemens Wind Power A/S, Brande (Denmark)

    2008-07-01

    Siemens Wind power A/S is the key player on the offshore wind power market. The Siemens Wind Power 3.6 MW variable-speed wind turbine is among the word's largest, most advanced and competitive wind turbines with a solid portfolio of large offshore wind farms. Transmission system operators and developers require dynamic wind turbine models for evaluation of fault-ride-through capability and investigations of power system stability. The even larger size of the on- and offshore wind farms has entailed that the grid impact of the voltage and frequency control capability of the wind farm can be appropriated modelled and evaluated. Siemens Wind Power has developed a dynamic model of the 3.6 MW variable-speed wind turbine with the fault-ride-through sequences and models of the voltage and frequency controllers to be applied for large offshore wind farms. The dynamic models have been implemented in the commercially available simulation tools such as DIgSILENT PowerFactory and Siemens PTI PSS/E and successfully validated from measurements. (orig.)

  9. Reaction of Topopah Spring tuff with J-13 water: a geochemical modeling approach using the EQ3/6 reaction path code

    Energy Technology Data Exchange (ETDEWEB)

    Delany, J.M.

    1985-11-25

    EQ3/6 geochemical modeling code package was used to investigate the interaction of the Topopah Spring Tuff and J-13 water at high temperatures. EQ3/6 input parameters were obtained from the results of laboratory experiments using USW G-1 core and J-13 water. Laboratory experiments were run at 150 and 250{sup 0}C for 66 days using both wafer-size and crushed tuff. EQ3/6 modeling reproduced results of the 150{sup 0}C experiments except for a small increase in the concentration of potassium that occurs in the first few days of the experiments. At 250{sup 0}C, the EQ3/6 modeling reproduced the major water/rock reactions except for a small increase in potassium, similar to that noted above, and an overall increase in aluminum. The increase in potassium concentration cannot be explained at this time, but the increase in A1 concentration is believed to be caused by the lack of thermodynamic data in the EQ3/6 data base for dachiardite, a zeolite observed as a run product at 250{sup 0}C. The ability to reproduce the majority of the experimental rock/water interactions at 150{sup 0}C validates the use of EQ3/6 as a geochemical modeling tool that can be used to theoretically investigate physical/chemical environments in support of the Waste Package Task of NNWSI.

  10. 5-[(3-Fluorophenyl(2-hydroxy-6-oxocyclohex-1-en-1-ylmethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H-dione

    Directory of Open Access Journals (Sweden)

    Assem Barakat

    2016-09-01

    Full Text Available 5-[(3-Fluorophenyl(2-hydroxy-6-oxocyclohex-1-en-1-yl-methyl]-6-hydroxy-1,3-di-methylpyrimidine-2,4(1H,3H-dione 3 was synthesized via a multicomponent reaction. The Aldol–Michael addition reactions of N,N-dimethylbarbituric acid, cyclohexane-1,3-dione, and 3-fluorobenzaldehyde in aqueous solution gave the product in high yield. The molecular structure of the compound was confirmed by spectroscopic methods and X-ray crystallography. The title compound (C19H19FN2O5·H2O crystallizes in the Monoclinic form, P21/c, a = 7.8630 (5 Å, b = 20.0308 (13 Å, c = 11.3987 (8 Å, β = 104.274 (3°, V = 1739.9 (2° Å3, Z = 4, Rint = 0.117, wR(F2 = 0.124, T = 100 K.

  11. Neutral complexes as oxidants for the reduced form of parsley (Petroselinum crispum) [2Fe--2S] ferredoxin. Evidence for partial blocking by redox-inactive Cr(III) complexes.

    Science.gov (United States)

    Adzamli, I K; Kim, H O; Sykes, A G

    1982-01-01

    The 1 : 1 reactions of three neutral Co(III) oxidants, Co(acac)3, Co(NH3)3(NO2)3 and Co(acac)2(NH3)(NO2), with reduced parsley (Petroselinum crispum) [2Fe--2S] ferredoxin (which carries a substantial negative charge), have been studied at 25 degrees C, pH 8.0 (Tris/HCl), I0.10 (NaCl). Whereas it has previously been demonstrated that with Co(NH3)6+ as oxidant the reaction if completely blocked by redox-inactive Cr(NH3)63+, the neutral oxidants are only partially blocked by this same complex. The effects of three Cr(III) complexes, Cr(NH3)63+%, Cr(en)33+ and (en)2Cr . mu(OH,O2CCH3) . CR(en)24+ have been investigated. Kinetic data for the response of 3+, neutral, as well as 1--oxidants to the presence of 3+ (and 4+) Cr(III) complexes can now be rationalized in terms of a single functional site on the protein for electron transfer. Electrostatics have a significant influence on association at this site. PMID:7115307

  12. 36 CFR 223.275 - Establishment of a pilot program.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Establishment of a pilot... Establishment of a pilot program. This subpart governs the Forest Service's pilot program for the disposal of... of Title III of H.R. 3423)), as amended in 2004 by Section 335 of Public Law 108-108. The pilot...

  13. Crystal structure of 1,3-bis(2,3-dimethylquinoxalin-6-ylbenzene

    Directory of Open Access Journals (Sweden)

    Charles E. Diesendruck

    2015-12-01

    Full Text Available The title compound, C26H22N4 (I, was synthesized by C—H iridium-catalyzed borylation followed by Suzuki coupling. The molecular structure of (I consists of a central benzene ring with 3-dimethylquinoxalin-6-yl groups at the 1 and 3 positions. These 2,3-dimethylquinoxalin-6-yl groups twist significantly out of the plane of the benzene ring. There are intermolecular π–π interactions which result in a two-dimensional extended structure. The layers extend parallel to the ab plane and stack along the c axis.

  14. 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.

  15. Phase relation of LaFe11· 6Si1· 4 compounds annealed at different ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 35; Issue 2. Phase relation of LaFe11.6Si1.4 compounds annealed at different high-temperature and the magnetic property of LaFe11.6−CoSi1.4 compounds. Xiang Chen Yungui Chen Yongbai Tang. Volume 35 Issue 2 April 2012 pp 175-182 ...

  16. Analysis of isoelectron isonuclear series of holovalent tetraelectron compounds as a system of bicomponent chemical compounds

    International Nuclear Information System (INIS)

    Vigdorovich, V.N.; Dzhuraev, T.D.

    1985-01-01

    Analogs and prototypes of the compounds supplementing the system of isoelectron isonuclear series of holovalent tetraelectron compounds by Gorunova are revealed. The investigation of all series of tetraelectron ovalenthol compounds allows one to supplement the variety of known series used for regular tracing and forecasting of compound properties (series of cation and anion substitutions by isonuclear series of the A 4 B 4 , A 3 B 5 , A 1 B 7 type and others compounds. The above series for medium ordinal numbers anti Z equal 10, 14, 18, 23 and 36 permit to illustrate the possibility of existence of such analogs or series, for example for the compounds of the type A 3 -- B 5 :AlN-BP or Z=1(f AlP-ScN-BV (for Z=14), ScP-AlV (for Z=18), GaP-AlAs-YN-BNb ( for Z=23) and YAs-GaNb-InV-ScSb-LaP-AlPr (for Z=36)

  17. 1-(4-Methylphenylsulfonyl-5,6-dinitro-1H-indazole

    Directory of Open Access Journals (Sweden)

    Bassou Oulemda

    2014-01-01

    Full Text Available In the title compound, C14H10N4O6S, the indazole ring system is almost perpendicular to the tosyl ring, as indicated by the dihedral angle of 89.40 (9° between their planes. The dihedral angles between the indazole system and the nitro groups are 57.0 (3 and 31.9 (3°. In the crystal, molecules are linked by C—H...O interactions, forming chains running along [100].

  18. 1-(3-Bromo-6-nitro-1H-indazol-1-ylethan-1-one

    Directory of Open Access Journals (Sweden)

    Mohamed Mokhtar Mohamed Abdelahi

    2017-05-01

    Full Text Available The asymmetric unit of the title compound, C9H6BrN3O3, consists of two independent molecules differing in the rotational orientations of the nitro and acetyl substituents. In the crystal, head-to-head π-stacking between pairs of adjacent molecules forms dimers which are associated into stacks by C—Br...π(ring interactions. C—H...O hydrogen bonds tie the stacks together.

  19. Microwave assistant synthesis, crystal structure and biological activity of a 1,2,4-triazole compound

    International Nuclear Information System (INIS)

    Ke, W.; Sun, N.B.

    2013-01-01

    The title compound (C/sub 17/H/sub 14/F/sub 2/N/sub 4/SO) were synthesized and recrystallized from CH/sub 3/CN. The compound was characterized by 1h-nmr, ftir, ms, hrms and x-ray diffraction. the compound crystallized in the monoclinic space group c2/c with a = 27.532(6), b 8.9596(18), c 14.609(3) alpha = 90, beta = 112.59(3), lambda =90 degree, gamma = 3327.1(12) alpha 3, z = 8 and r = 0.0327 for 2596 observed reflections with 1 > 2 (i). x-ray analysis reveals that not only intermolecular N-H-N interactions, but also C-H Pie stacking interactions exist in the adjacent molecules. The biological activities results showed that it exhibited significant herbicidal activity towards brassica napus. (author)

  20. Title list of documents made publicly available June 1-30, 1984. Volume 6, No. 6

    International Nuclear Information System (INIS)

    1984-08-01

    The Title List of Documents Made Publicly Available is a monthly publication. It contains descriptions of the information received and generated by the US Nuclear Regulatory Commission (NRC). This information includes: (1) docketed material asociated with civilian nuclear power plants and other uses of radioactive materials; and (2) nondocketed material received and generated by NRC pertinent to its role as a regulatory agency. As used here, docketed does not refer to Court dockets; it refers to the system by which NRC maintains its regulatory records. This series of documents is indexed by a Personal Author Index, a Corporate Source Index, and a Report Number Index

  1. Long history of "3"6Cl assessment of graphite waste by EDF engineering and the latest suggested developments. "3"6Cl assessment of EDF graphite waste and the latest suggested developments

    International Nuclear Information System (INIS)

    Poncet, B.

    2017-01-01

    About 17.000 tons of irradiated graphite waste will be produced from the decommissioning of the six gas-cooled nuclear reactors operated by Electricite De France (EDF) company. Determining the radionuclide content of this waste is an important legal commitment for both safety reasons and best suited management strategy. As evidenced by numerous studies nuclear graphite is a very complex material that cannot be considered on an analytical viewpoint as any usual homogeneous material. Radionuclide measurements in irradiated graphite exhibit very high discrepancies especially when corresponding to precursors at trace level. This huge discrepancy cannot be avoided and can be easily explained by Pierre Gy's theory of sampling applied to finely divided materials. The assessment of a radionuclide inventory only based on a few number of radiochemical measurements leads in most cases to a gross over- or under-estimation that can be detrimental to graphite waste management. Prior to 2005, the EDF initial version for the radiological inventory of graphite was based on the maximum values of the measures, namely a very pessimistic way. In 2008, a scientific method was developed by EDF to evaluate the inventory by reverse activation calculation, in order to limit the overestimation. The radiological inventory computation principles can be compared to those of all engineering studies. First, the calculation is simplified by taking margins, and if the results are not satisfactory enough, some simplifications are suppressed to reduce these margins even if computation becomes more complicated. On EDF piles, the gain obtained in 2008 represented a factor 50 relative to the initial version of "3"6Cl, even with a very penalizing multiplicative factor for uncertainty. Today, the accurate calculation of the uncertainty no longer justifies such a factor. A gain of about 150 now occurs compared to the initial version of "3"6Cl. It is more than 2 orders of magnitude, which is already enough

  2. Standard thermochemical characteristics of combustion and formation of 3,5-di-tert-butyl-o-benzoquinone and 3,6-di-tert-butyl-o-benzoquinone at T = 298.15 K

    International Nuclear Information System (INIS)

    Pashanova, Kira I.; Abakumov, Gleb A.; Markin, Alexey V.; Piskunov, Alexander V.; Smirnova, Natalia N.

    2016-01-01

    Highlights: • We report the results of thermochemical study for benzoquinone derivatives. • Optimal conditions for determination of combustion energy for benzoquinone were done. • The formation enthalpies for crystalline benzoquinone have been detected at T = 298.15 K. • The formation enthalpy of isomeric quinones were compared. - Abstract: Optimal conditions for investigations of thermodynamic properties have been determined experimentally by the method of combustion calorimetry for compounds of the o-benzoquinone series. In the present work, the energies of combustion in oxygen were measured at T = 298.15 K by static bomb combustion calorimetry for 3,5-di-tert-butyl-o-benzoquinone and 3,6-di-tert-butyl-o-benzoquinone. The experimental values have been used to calculate the standard (p° = 0.1 MPa) molar enthalpy of combustion Δ_cH"o_m and formation Δ_fH"o_m for the examined compounds in the crystalline phase.

  3. Solid-state thermal decomposition of the [Co(NH3)5CO3]NO3·0.5H2O complex: A simple, rapid and low-temperature synthetic route to Co3O4 nanoparticles

    International Nuclear Information System (INIS)

    Farhadi, Saeid; Safabakhsh, Jalil

    2012-01-01

    Highlights: ► [Co(NH 3 ) 5 CO 3 ]NO 3 ·0.5H 2 O complex was used for preparing pure Co 3 O 4 nanoparticles. ► Co 3 O 4 nanoparticles were prepared at low temperature of 175 °C. ► Co 3 O 4 nanoparticles show a weak ferromagnetic behaviour at room temperature. ► The method is simple, low-cost and suitable for the production of Co 3 O 4 . - Abstract: Co 3 O 4 nanoparticles were easily prepared via the decomposition of the pentammine(carbonato)cobalt(III) nitrate precursor complex [Co(NH 3 ) 5 CO 3 ]NO 3 ·0.5H 2 O at low temperature (175 °C). The product was characterized by thermal analysis, X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), UV–visible spectroscopy, transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX), Raman spectroscopy, Brunauer–Emmett–Teller (BET) specific surface area measurements and magnetic measurements. The FT-IR, XRD, Raman and EDX results indicated that the synthesized Co 3 O 4 nanoparticles are highly pure and have a single phase. The TEM analysis revealed nearly uniform and quasi-spherical Co 3 O 4 nanoparticles with an average particle size of approximately 10 nm. The optical absorption spectrum of the Co 3 O 4 nanoparticles showed two direct band gaps of 2.18 and 3.52 eV with a red shift in comparison with previous reported values. The prepared Co 3 O 4 nanoparticles showed a weak ferromagnetic behaviour that could be attributed to uncompensated surface spins and/or finite-size effects. Using the present method, Co 3 O 4 nanoparticles can be produced without expensive organic solvents and complicated equipment. This simple, rapid, safe and low-cost synthetic route can be extended to the synthesis of other transition-metal oxides.

  4. Extension of the EQ3/6 computer codes to geochemical modeling of brines

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, K.J.; Wolery, T.J.

    1984-10-23

    Recent modifications to the EQ3/6 geochemical modeling software package provide for the use of Pitzer's equations to calculate the activity coefficients of aqueous species and the activity of water. These changes extend the range of solute concentrations over which the codes can be used to dependably calculate equilibria in geochemical systems, and permit the inclusion of ion pairs, complexes, and undissociated acids and bases as explicit component species in the Pitzer model. Comparisons of calculations made by the EQ3NR and EQ6 compuer codes with experimental data confirm that the modifications not only allow the codes to accurately evaluate activity coefficients in concentrated solutions, but also permit prediction of solubility limits of evaporite minerals in brines at 25/sup 0/C and elevated temperatures. Calculations for a few salts can be made at temperatures up to approx. 300/sup 0/C, but the temperature range for most electrolytes is constrained by the availability of requisite data to values less than or equal to 100/sup 0/C. The implementation of Pitzer's equations in EQ3/6 allows application of these codes to problems involving calculation of geochemical equilibria in brines; such as evaluation of the chemical environment which might be anticipated for nuclear waste canisters located in a salt repository. 26 references, 3 figures, 1 table.

  5. Crystal and Molecular Structure Studies of Ethyl 4-(4-Hydroxyphenyl-6-(6-methoxy-2-naphthyl-2-oxocyclohex-3-ene-1-carboxylate and Ethyl 4-(3-Bromophenyl-6-(6-methoxy-2-naphthyl-2-oxocyclohex-3-ene-1-carboxylate

    Directory of Open Access Journals (Sweden)

    Badiadka Narayana

    2012-08-01

    Full Text Available The crystal and molecular structures of the title compounds, ethyl 4-(4-hydroxyphenyl-6-(6-methoxy-2-naphthyl-2-oxocyclohex-3-ene-1-carboxylate (I and ethyl 4-(3-bromophenyl-6-(6-methoxy-2-naphthyl-2-oxocyclohex-3-ene-1-carboxylate (II, are reported and confirmed by single crystal X-ray diffraction data. Compound (I, C26H24O5, crystallizes from a methanol solution in the monoclinic C2/c space group with eight molecules in the unit cell. The unit cell parameters are: a = 25.4114(5 Å, b = 8.47440(10 Å, c = 20.6921(4 Å, β = 108.328(2° and V = 4229.92(13 Å3. Disorder is observed throughout the entire molecule with an occupancy ratio 0.690(2:0.310(2. Compound (II, C26H23O4Br, crystallizes from an ethyl acetate solution in the monoclinic P21/c spacegroup with four molecules in the unit cell. The unit cell parameters are a = 17.8991(9 Å, b = 11.4369(6 Å, c = 10.8507(5 Å, β = 92.428(4° and V = 2219.25(19 Å3. Disorder is observed in the cyclohexenone ring and the carboxylate group with an occupancy ratio 0.830(6:0.170(6. Weak O–H...O (I or C–H...O (II intermolecular interactions are observed which influence crystal packing stability. These chalcone derivative types of molecules are important in their ability to act as activated unsaturated systems in conjugated addition reactions of carbanions in the presence of basic catalysts which exhibit a multitude of biological activities.

  6. Compound complex enzymes and proteins of Stipa capillata from Semipalatinsk polygon

    International Nuclear Information System (INIS)

    Sarsenbaev, K.N.; Esnazarov, U.; Sarsenbaeva, M.V.; Seisebaev, A.

    2002-01-01

    The effects of low and high doses of irradiation near Semipalatinsk Atomic lake on the compound complex of different enzymes and proteins of leaves from different population of Stipa capillata are considered. 36 samples of Stipa capillata were analyzed by the iso-electrofocusing methods, native and SDS-electrophoresis. Levels of radioactivity effect on compound complex of peroxidase, esterase, acid phosphates and soluble proteins were found. SDS-PAGE and IEF methods did not show difference in peptides spectra between 36 populations of examined species. It means, that difference between contaminated and non-contaminated populations not so big as was expected. Compound complex soluble protein of Stipa capillata leaves changes under chronic doses of radioactivity. The difference in spectra between control and contaminated leaves make up 3-6 bands. Control leaves have more high molecular weight proteins than contaminated ones. Appearance of new bands is one of ways of plant adaptation. New components of enzymes spectra and soluble proteins were found. It was suggested, that gene mutation or post-translation modification of these proteins are result of chronic irradiation. To prove exactly genetic nature of this alteration aminoacids sequence for these proteins the DNA sequence of different Stipa capillata populations genomes were compared

  7. New tetragonal derivatives of cubic NaZn13-type structure: RNi6Si6 compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd–Yb)

    International Nuclear Information System (INIS)

    Pani, M.; Manfrinetti, P.; Provino, A.; Yuan, Fang; Mozharivskyj, Y.; Morozkin, A.V.; Knotko, A.V.; Garshev, A.V.; Yapaskurt, V.O.; Isnard, O.

    2014-01-01

    Novel RNi 6 Si 6 compounds adopt the new CeNi 6 Si 6 -type structure for R=La–Ce (tP52, space group P4/nbm N 125-1) and new YNi 6 Si 6 -type structure for R=Y, Sm, Gd–Yb (tP52, space group P4 ¯ b2N 117) that are tetragonal derivative of NaZn 13 -type structure, like LaCo 9 Si 4 -type. The CeNi 6 Si 6 , GdNi 6 Si 6 , TbNi 6 Si 6 , DyNi 6 Si 6 and HoNi 6 Si 6 compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi 6 Si 6 does not follow Curie–Weiss law. The DyNi 6 Si 6 shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μ B /f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi 6 Si 6 with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. - Graphical abstract: Novel (La, Ce)Ni 6 Si 6 compounds adopt the new CeNi 6 Si 6 -type structure and (Y, Sm, Gd–Yb) adopt the new YNi 6 Si 6 -type structure that are tetragonal derivative of NaZn 13 -type structure, like LaCo 9 Si 4 -type. The CeNi 6 Si 6 , GdNi 6 Si 6 , TbNi 6 Si 6 , DyNi 6 Si 6 and HoNi 6 Si 6 compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi 6 Si 6 with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. Display Omitted - Highlights: • The new (La, Ce)Ni 6 Si 6 compounds adopt the new CeNi 6 Si 6 -type structure. • The new (Y, Sm, Gd–Yb)Ni 6 Si 6 compounds adopt the new YNi 6 Si 6 -type structure. • TbNi 6 Si 6 has square modulated c-collinear antiferromagnetic ordering below ∼10 K

  8. Browse Title Index

    African Journals Online (AJOL)

    2004): Special Issue 2004, Differential production of immune parameters by mouse strains ... agglutination and complement fixation tests in the field diagnosis ... List All Titles · Free To Read Titles This Journal is Open Access.

  9. Tris[(6S)-6-hy-droxy-4-epi-shikimic acid] monohydrate: an enanti-omerically pure hy-droxy-lated shikimic acid derived from methyl shikimate.

    Science.gov (United States)

    Griesbeck, Axel G; Miara, Claus; Neudörfl, Jörg-M

    2012-11-01

    The title compound, 3C(7)H(10)O(6)·H(2)O, is the enanti-omerically pure product of a multi-step synthesis from the enanti-omerically pure natural shikimic acid. The asymmetric unit contains three mol-ecules of the acid and one mol-ecule of water. The cyclo-hexene rings of the acids have half-chair conformations. The carboxyl-ate, the four hydroxide groups and the additional water mol-ecule form a complex three-dimensional hydrogen-bonding network.

  10. Ring-expansion synthesis and crystal structure of dimethyl 4-ethyl-1,4,5,6,7,8-hexahydroazonino[5,6-b]indole-2,3-dicarboxylate

    Directory of Open Access Journals (Sweden)

    Van Tuyen Nguyen

    2017-03-01

    Full Text Available The title compound, C20H24N2O4, is the product of a ring-expansion reaction from a seven-membered hexahydroazepine to a nine-membered azonine. The azonine ring of the molecule adopts a chair–boat conformation. In the crystal, molecules are linked by bifurcated N—H...(O,O hydrogen bonds, generating [010] zigzag chains. The title compound shows inhibitory activity against acetylcholinesterase and butyrylcholinesterase, and might be considered as a candidate for the design of new types of anti-Alzheimer's drugs.

  11. Hexatungstate subunit as building block in the hydrothermal synthesis of organic-inorganic hybrid materials: synthesis, structure and optical properties of Co2(bpy)6 (W6O19)2 (bpy=4,4'-bipyridine)

    International Nuclear Information System (INIS)

    Zhang Lijuan; Wei Yongge; Wang Chongchen; Guo Hongyou; Wang Ping

    2004-01-01

    A hydrothermal reaction of WO 3 , CoCl 2 and 4,4'-bipyridine, yields a novel organic-inorganic hybrid compound, Co 2 (bpy) 6 (W 6 O 19 ) 2 , at 170 deg. C. X-ray single crystal structure determination reveals a two-dimensional covalent structure belonging to monoclinic crystal system, space group C2/c, with cell parameters a=19.971(4) A, b=11.523(2) A, c=16.138(3) A, β=96.49(3) deg., V=3690.0 A 3 and Z=2. The hexatungstate, [W 6 O 19 ] 2- , acts as a building block in bidentate fashion to bridge the Co(II) centers in the crystal structure. The title compound is found to have an optical energy gap of 2.2 eV from UV-Vis-NIR reflectance spectra

  12. Color-tunable and highly thermal stable Sr_2MgAl_2_2O_3_6:Tb"3"+ phosphors

    International Nuclear Information System (INIS)

    Zhang, Haiming; Zhang, Haoran; Liu, Yingliang; Lei, Bingfu; Deng, Jiankun; Liu, Wei-Ren; Zeng, Yuan; Zheng, Lingling; Zhao, Minyi

    2017-01-01

    Tb"3"+ activated Sr_2MgAl_2_2O_3_6 phosphor was prepared by a high-temperature solid-state reaction route. The X-ray diffraction, scanning electron microscopy, and photoluminescence spectroscopy were used to characterize the as-prepared samples. The Sr_2MgAl_2_2O_3_6:Tb"3"+ phosphors show intense green light emission under UV excitation. The phosphor exhibit two groups of emission lines from about 370 to 700 nm, which originating from the characteristic "5D_3-"7F_J and "5D_4-"7F_J transitions of the Tb"3"+ ion, respectively. The cross-relaxation mechanism between the "5D_3 and "5D_4 emission was investigated and discussed. The emission colors of these phosphors can be tuned from bluish-green to green by adjusting the Tb"3"+ doping concentration. Furthermore, the thermal quenching temperature (T_1_/_2) is higher than 500 K. The excellent thermal stability and color-tunable luminescent properties suggest that the developed material is a promising green-emitting phosphor candidate for optical devices. - Highlights: • A Color-tunable emitting phosphor Sr_2MgAl_2_2O_3_6:Tb"3"+ was prepared successfully via high-temperature solid-state reaction. • The photoluminescence of Sr_2MgAl_2_2O_3_6:Tb"3"+ shows highly thermal stable. • The cross-relaxation mechanism between the "5D_3 and "5D_4 emission was investigated and discussed.

  13. 1,5,6-Triphenyl-8-oxa-7-selena-6-phosphabicyclo[3.2.1]octane-6-selone

    Directory of Open Access Journals (Sweden)

    Yang Li

    2008-01-01

    Full Text Available The structure of the title compound, C23H21OPSe2, consists of fused puckered five- and six-membered rings, PSeC2O and C5O, respectively, with a C2O bridgehead. The C5O ring adopts a chair conformation, whilst the C2PSeO ring has an envelope conformation.

  14. Order-disorder phase transition in ZrV2Dsub(3.6)

    International Nuclear Information System (INIS)

    Didisheim, J.-J.; Yvon, K.; Tissot, P.

    1981-01-01

    The deuterated C15-type Laves phase ZrV 2 Dsub(3.6) undergoes a structural phase transition near room temperature (T of the order of 325 K). In the cubic high-temperature phase the deuterium atoms are disordered over two types of tetrahedral interstices, the centres of which are 1.3 A apart. In the tetragonal low-temperature phase the D atoms are ordered and occupy only the energetically more favourable interstices. The tetragonal structure is isotypic with the low-temperature phase of HfV 2 D 4 . The shortest D-D distance is 2.1 A. (author)

  15. Do Omega-3/6 Fatty Acids Have a Therapeutic Role in Children and Young People with ADHD?

    Directory of Open Access Journals (Sweden)

    E. Derbyshire

    2017-01-01

    Full Text Available Background. Attention deficit hyperactivity disorder (ADHD is a debilitating behavioural disorder affecting daily ability to function, learn, and interact with peers. This publication assesses the role of omega-3/6 fatty acids in the treatment and management of ADHD. Methods. A systematic review of 16 randomised controlled trials was undertaken. Trials included a total of 1,514 children and young people with ADHD who were allocated to take an omega-3/6 intervention, or a placebo. Results. Of the studies identified, 13 reported favourable benefits on ADHD symptoms including improvements in hyperactivity, impulsivity, attention, visual learning, word reading, and working/short-term memory. Four studies used supplements containing a 9 : 3 : 1 ratio of eicosapentaenoic acid : docosahexaenoic acid : gamma linolenic acid which appeared effective at improving erythrocyte levels. Supplementation with this ratio of fatty acids also showed promise as an adjunctive therapy to traditional medications, lowering the dose and improving the compliance with medications such as methylphenidate. Conclusion. ADHD is a frequent and debilitating childhood condition. Given disparaging feelings towards psychostimulant medications, omega-3/6 fatty acids offer great promise as a suitable adjunctive therapy for ADHD.

  16. Synthesis and Antiplasmodial Activity of 2-(4-Methoxyphenyl-4-Phenyl-1,10-Phenanthroline Derivative Compounds

    Directory of Open Access Journals (Sweden)

    Nazudin

    2012-08-01

    Full Text Available A unique of synthetic methods was employed to prepare 2-(4-methoxyphenyl-4-phenyl-1,10-phenanthroline (5 derivatives from 4-methoxy-benzaldehyde (1, acetophenone (2, and 8-aminoquinoline (4 with aldol condensation and cyclization reactions. The derivatives were tested through antiplasmodial test. The synthesis of derivatives compound 5 was conducted in three steps. The 3-(4-methoxyphenyl-1-phenylpropenone 3 was synthesized through aldol condensation of 1 and 2 which has a yield of 96.42%. The compound 5 was synthesized through cyclization of compound 4 and 3 with 84.55% yield. The derivative of compound 5 was synthesized from compound 5 using DMS and DES reagents which refluxed for 21 and 22 h, to produce (1-N-methyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (6 and (1-N-ethyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (7 with 91.42 and 86.36% yields, respectively. Results of in vitro testing of antiplasmodial activity of compound 5 derivatives (i.e., compound 6 and 7 against chloroquine-resistant P. falciparum FCR3 strain showed that compound 7 had higher antimalarial activity than compounds 5 and 6. Whereas, results of in vitro testing against chloroquine-sensitive P. falciparum D10 strain showed that compound 6 has higher antimalarial activity than compounds 5 and 7.

  17. Trends spanning 36 years of nursing research

    OpenAIRE

    LEE Hyeyong; SHIMOTAKAHARA Rie; FUKADA Akimi; SHINBASHI Sumiko

    2018-01-01

    PURPOSE: The aim of demonstrating priorities for future research, this study draws on the strengths of text-mining analysis to analyze trends in nursing research in Japan over a 36-year period. METHODS: Documents published in the online version of the Igaku Chuo Zasshi (ICHUSHI) between 1980 and December 2015 were targeted for analysis. Tendencies and trends over time characterizing words used in the titles of all target research papers were analyzed, along with characteristic words. RESULTS:...

  18. Chloroindolyl-3-acetic Acid and its Methyl Ester Incorporation of 36Cl in Immature Seeds of Pea and Barley

    DEFF Research Database (Denmark)

    Engvild, Kjeld Christensen

    1974-01-01

    Immature seeds of pea and barley were harvested on plants grown in solutions containing 36Cl−, but no other chlorides. Autoradiography of two-dimensional thin layer chromatograms (silicagel) of butanol extracts of freeze-dried seeds showed the presence in both species of several radioactive...... compounds besides Cl−. One compound, present in pea and probably in barley, cochromatographed with a mixture of 4- and 6-chloroindolyl-3-acetic acid methyl esters. Another, detected in pea, but probably not in barley, cochromatographed with a mixture of 4-and 6-chloroindolyl-3-acetic acids....

  19. (E-2-Methyl-6-{[(5-methylpyridin-2-ylimino]methyl}phenol

    Directory of Open Access Journals (Sweden)

    Md. Azharul Arafath

    2017-01-01

    Full Text Available In the title compound, C14H14N2O, the dihedral angle between the aromatic rings is 5.54 (9°. The conformation is reinforced by an intramolecular O—H...N hydrogen bond, which closes an S(6 ring. The pyridine N atom and methyl group lie to opposite sides of the molecule. In the crystal, the molecules are linked into a zigzag chain propagating in [0-11] by weak C—H...O hydrogen bonds.

  20. Rhodamine 6G hexachloridostannate(IV acetonitrile disolvate

    Directory of Open Access Journals (Sweden)

    Ramaiyer Venkatraman

    2008-01-01

    Full Text Available In the title compound, bis({6-ethylamino-10-[2-(methoxycarbonylphenyl]-2,7-dimethylxanthen-3-ylidene}ethanaminium hexachloridotin(IV acetonitrile disolvate, (C27H29N2O32[SnCl6]·2C2H3N, the octahedral SnCl62− anion lies on an inversion center. The xanthene ring system is essentially planar, with an average deviation of 0.020 Å, and the substituent benzene ring forms a dihedral angle of 85.89 (2° with it. The Sn—Cl distances are in the range 2.4237 (3–2.4454 (3 Å. There are N—H...Cl hydrogen bonds between SnCl62− ions and rhodamine 6G cations as well as π–π stacking interactions between rhodamine 6G cations (interplanar distance of 3.827 Å.

  1. 3-Allyl-2-hydroxy-5,6,8-trimethoxynaphthalene-1,4-dione

    Directory of Open Access Journals (Sweden)

    Margaret A. Brimble

    2008-10-01

    Full Text Available In the crystal structure of the title compound, C16H16O6, a pair of naphthoquinone rings are linked via O—H...O—C hydrogen bonds in a nearly orthogonal arrangement. This dimeric unit is linked to a neighbouring dimer by π–π stacking interactions between the naphthoquinone rings, where the distance between the mean plane of the naphtoquinone backbones is 3.468 Å, and O—H...O—C hydrogen bonds.

  2. An analysis of the titles of papers submitted to the UK REF in 2014: authors, disciplines, and stylistic details

    OpenAIRE

    Hudson, John

    2016-01-01

    In 2014 over 52,000 academics submitted >155,500 journal articles in 36 different disciplines for assessment in the UK?s four-year Research Evaluation Framework (the REF). In this paper the characteristics of the titles of these papers are assessed. Although these varied considerably between the disciplines, the main findings were that: (i) the lengths of the titles increased with the number of authors in almost all disciplines, (ii) the use of colons and question marks tended to decline with...

  3. Analysis of isoelectron isonuclear series of holovalent tetraelectron compounds as a system of bicomponent chemical compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vigdorovich, V.N.; Dzhuraev, T.D.

    1985-03-01

    Analogs and prototypes of the compounds supplementing the system of isoelectron isonuclear series of holovalent tetraelectron compounds by Gorunova are revealed. The investigation of all series of tetraelectron ovalenthol compounds allows one to supplement the variety of known series used for regular tracing and forecasting of compound properties (series of cation and anion substitutions by isonuclear series of the A/sup 4/B/sup 4/, A/sup 3/B/sup 5/, A/sup 1/B/sup 7/ type and others compounds. The above series for medium ordinal numbers anti Z equal 10, 14, 18, 23 and 36 permit to illustrate the possibility of existence of such analogs or series, for example for the compounds of the type A/sup 3/-- B/sup 5/:AlN-BP or Z=1(f AlP-ScN-BV (for Z=14), ScP-AlV (for Z=18), GaP-AlAs-YN-BNb (for Z=23) and YAs-GaNb-InV-ScSb-LaP-AlPr (for Z=36).

  4. Bromine-rich Zinc Bromides: Zn6Br12(18-crown-6)2×(Br2)5, Zn4Br8(18-crown-6)2×(Br2)3, and Zn6Br12(18-crown-6)2×(Br2)2.

    Science.gov (United States)

    Hausmann, David; Feldmann, Claus

    2016-06-20

    The bromine-rich zinc bromides Zn6Br12(18-crown-6)2×(Br2)5 (1), Zn4Br8(18-crown-6)2×(Br2)3 (2), and Zn6Br12(18-crown-6)2×(Br2)2 (3) are prepared by reaction of ZnBr2, 18-crown-6, and elemental bromine in the ionic liquid [MeBu3N][N(Tf)2] (N(Tf)2 = bis(trifluoromethylsulfonyl)amide). Zn6Br12(18-crown-6)2×(Br2)5 (1) is formed instantaneously by the reaction. Even at room temperature, compound 1 releases bromine, which was confirmed by thermogravimetry (TG) and mass spectrometry (MS). The release of Br2 can also be directly followed by the color and density of the title compounds. With controlled conditions (2 weeks, 25 °C, absence of excess Br2) Zn6Br12(18-crown-6)2×(Br2)5 (1) slowly releases bromine with conconcurrent generation of Zn4Br8(18-crown-6)2×(Br2)3 (2) (in ionic liquid) and Zn6Br12(18-crown-6)2×(Br2)2 (3) (in inert oil). All bromine-rich zinc bromides contain voluminous uncharged (e.g., Zn3Br6(18-crown-6), Zn2Br4(18-crown-6)) or ionic (e.g., [Zn2Br3(18-crown-6)](+), [(Zn2Br6)×(Br2)2](2-)) building units with dibromine molecules between the Zn oligomers and partially interconnecting the Zn-containing building units. Due to the structural similarity, the bromine release is possible via crystal-to-crystal transformation with retention of the crystal shape.

  5. 2,3-Diaminopyridinium 6-carboxypyridine-2-carboxylate

    Directory of Open Access Journals (Sweden)

    Mahsa Foroughian

    2011-12-01

    Full Text Available The asymmetric unit of the title proton-transfer compound, C5H8N3+·C7H4NO4−, consists of one mono-deprotonated pyridine-2,6-dicarboxylic acid as anion and one protonated 2,3-diaminopyridine as cation. The crystal packing shows extensive O—H...O, N—H...O and N—H...N hydrogen bonds. Thre are also several π–π interactions between the anions and also between the cations [centriod–centroid distances = 3.6634 (7, 3.7269 (7, 3.6705 (7 and 3.4164 (7 Å].

  6. INIS: Authority List for Journal Titles

    International Nuclear Information System (INIS)

    1992-01-01

    This is the nineteenth revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). It lists 10,797 journal titles which have contained articles within the scope of INIS. The purpose of this Authority List is to provide descriptive cataloguers with a standard abbreviation for journal titles and to assist users of INIS products with a tool for verifying the full title of a journal. A journal, or periodical, is generally published within a defined, fixed interval between issues, which usually has more than one issue a year, and which usually includes a mixture of articles, letters, summaries, etc. Within this definition, annuals such as Annual Review of Nuclear Science are included. Series titles as, for example the McGraw-Hill Series in Nuclear Engineering, are not included in this Authority. Entries: Each entry consists of: - the full journal title (highlighted); - the abbreviated title; - ISSN, if available; - CODEN, if available; - additional information related to the journal title. Arrangement: In Part I, the full journal titles are grouped by country or international organization name and ordered alphabetically, followed by the ISSN, the CODEN in square brackets if available, and then the abbreviated title. The abbreviated title is based on the rules of ISO 4: Documentation - International Code for the Abbreviation of Titles of Periodicals. The abbreviations of the words are taken from the ISDS List of Periodical Title Word Abbreviation. In Part II, the order of the citations is reversed: the abbreviated journal titles are arranged alphabetically, followed by country code. Then the full journal titles are followed by the country of publication, and if available, ISSN and CODEN. Additional Information: There is important information related to the journal titles which are fundamental for tracing the history of the title and the present status. They are listed below and are entered whenever applicable: - Ceased publication; - Superseded by

  7. Title IX Resource Guide

    Science.gov (United States)

    Office for Civil Rights, US Department of Education, 2015

    2015-01-01

    Title IX of the Education Amendments of 1972 (Title IX) prohibits discrimination based on sex in education programs and activities in federally funded schools at all levels. If any part of a school district or college receives any Federal funds for any purpose, all of the operations of the district or college are covered by Title IX. The essence…

  8. Crystal structure of cis-anti-cis-dicyclohexane-18-crown-6 acetonitrile disolvate

    Directory of Open Access Journals (Sweden)

    Alexander Nazarenko

    2015-07-01

    Full Text Available The title compound (systematic name: cis-anti-cis-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane acetonitrile disolvate, C20H36O6·2CH3CN, crystallizes from an acetonitrile solution of dicyclohexane-18-crown-6 on evaporation. The molecule is arranged around a center of symmetry with half the crown ether molecule and one molecule of acetonitrile symmetry independent. All O—C—C—O torsion angles are gauche while all C—O—C—C angles are trans. The sequence of torsion angles is [(tg+t(tg−t]3; the geometry of oxygen atoms is close to pseudo-D3d with three atoms below and three atoms above the mean plane, with an average deviation of ±0.16 (1 Å from the mean plane. This geometry is identical to that observed in metal ion complexes of dicyclohexane-18-crown-6 but differs significantly from the conformation of a free unsolvated molecule. Each acetonitrile molecule connects to a crown ether molecule via two of its methyl group H atoms (C—H...O. Weaker interactions exist between the third H atom of the acetonitrile methyl group and an O atom of a neighbouring crown ether molecule (C—H...O; and between the N atom of the acetonitrile molecule and a H atom of another neighbouring crown ether molecule. All these intermolecular interactions create a three-dimensional network stabilizing the disolvate.

  9. EQ3/6 geochemical modeling task plan for Nevada Nuclear Waste Storage Investigations (NNWSI)

    Energy Technology Data Exchange (ETDEWEB)

    Isherwood, D.; Wolery, T.

    1984-04-10

    This task plan outlines work needed to upgrade the EQ3/6 geochemical code and expand the supporting data bases to allow the Nevada Nuclear Waste Storage Investigations (NNWSI) to model chemical processes important to the storage of nuclear waste in a tuff repository in the unsaturated zone. The plan covers the fiscal years 1984 to 1988. The scope of work includes the development of sub-models in the EQ3/6 code package for studying the effects of sorption, precipitation kinetics, redox disequilibrium, and radiolysis on radionuclide speciation and solubility. The work also includes a glass/water interactions model and a geochemical flow model which will allow us to study waste form leaching and reactions involving the waste package. A special emphasis is placed on verification of new capabilities as they are developed and code documentation to meet NRC requirements. Data base expansion includes the addition of elements and associated aqueous species and solid phases that are specific to nuclear waste (e.g., actinides and fission products) and the upgrading and documentation of the thermodynamic data for other species of interest.

  10. Getting to one from title 10 + title 32 unity of effort in the homeland

    OpenAIRE

    Prosch, Caroline Ross.

    2011-01-01

    CHDS State/Local Approved for public release; distribution is unlimited This thesis bridges the knowledge gap between Title 10 Active Duty and Title 32 National Guard in order to breakdown cultural barriers and reach unity of effort for response operations in the homeland. Regrettably, a unified response was missing among Title 10 Active Duty and Title 32 National Guard members following Hurricane Katrina. Since then, initiatives based in doctrine, statutes and formal recommendations...

  11. Bat urea-derived minerals in arid environment. First identification of allantoin, C4H6N4O3, in Kahf Kharrat Najem Cave, United Arab Emirates

    Directory of Open Access Journals (Sweden)

    Philippe Audra

    2017-01-01

    Full Text Available Kahf Kharrat Najem Cave is a small cave in United Arab Emirates (UAE that hosts a bat colony which is the source of guano deposits and peculiar centimeter-long yellowish stalactites. The mineralogy and geochemistry of these deposits were analyzed using powder X-ray diffraction (XRD, energy dispersive X-ray spectroscopic microanalysis (EDX, scanning electron microscope (SEM, and stable isotope composition (δ13C and δ15N. Urea CO(NH22 was found to be the main compound of these stalactites, while allantoin C4H6N4O3 was found to be an accessory urea byproduct. This paper is the first to mention allantoin in a cave environment. We also identified rare sulfate minerals (aphthitalite, alunite and phosphates that probably correspond to the archerite-biphosphammite series. The occurrence of these rare bat-related minerals is due to the extremely dry conditions in the cave, which accounts for the extraordinary preservation of the guano deposits and allows for the crystallization of these very soluble minerals.

  12. Ab initio computational study of vincristine as a biological active compound: NMR and NBO analyses

    Directory of Open Access Journals (Sweden)

    Shiva Joohari

    2015-06-01

    Full Text Available Vincristine is a biological active alkaloid that has been used clinically against a variety of neoplasms. In the current study we have theoretically investigated the magnetic properties of titled compound to predict physical and chemical properties of vincristine as a biological inhibitor. Ab initio computation using HF and B3LYP with 3-21G(d and 6-31G(d level of theory have been performed and then magnetic shielding tensor (, ppm, shielding asymmetry (, magnetic shielding anisotropy (aniso, ppm, the skew of a tensor (K, chemical shift anisotropy ( and chemical shift ( were calculated to indicate the details of the interaction mechanism between microtubules and vincristine. Moreover, EHOMO, ELUMO and Ebg were evaluated. The maximum and minimum values of Ebg were found in HF/3-21g and B3LYP/3-21g respectively. It was also uggested that O24, O37, O49 and O55 with minimum values of iso, are active sites of titled compound. Furthermore the calculated chemical shifts were compared with experimental data in DMSO and CDCl3 solvents.

  13. Browse Title Index

    African Journals Online (AJOL)

    Items 601 - 650 of 788 ... Browse Title Index ... Issue, Title ... Vol 14, No 1 (2006), Social science research: a critique of quantitative and qualitative methods ... Vol 18, No 1 (2010), Stress among part-time business students: a study in a Ghanaian ...

  14. 20 CFR 408.931 - How much will we withhold from your title II and title XVI benefits to recover a title VIII...

    Science.gov (United States)

    2010-04-01

    ... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false How much will we withhold from your title II... and Overpayments Adjustment of Title II Benefits § 408.931 How much will we withhold from your title...-due benefits. (b)(1) We will collect the overpayment from current monthly benefits due in a month...

  15. rac-6-Hydroxy-4-(4-nitrophenyl-5-(2-thienylcarbonyl-6-(trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H-one monohydrate

    Directory of Open Access Journals (Sweden)

    Jian-Li Zhang

    2010-11-01

    Full Text Available The title compound, C16H12F3N3O5S·H2O, was prepared by reaction of 4-nitrobenzaldehyde, 4,4,4-trifluoro-1-(thiophen-2-ylbutane-1,3-dione and urea. The asymmetric unit contains two independent molecules, with essentially identical geometries and conformations. The dihydropyrimidine rings adopt a half-chair conformation. The dihedral angles between the benzene ring and the thiophene ring are 54.82 (8 and 58.72 (8° in the two molecules. The molecular conformation of one of the molecules is stabilized by two intramolecular O—H...O hydrogen bonds, generating an S(6 ring. The crystal structure is stabilized by intermolecular O—H...O and N—H...O hydrogen bonds.

  16. Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido-2H-indazol-2-yl]propanoate

    Directory of Open Access Journals (Sweden)

    Najat Abbassi

    2012-04-01

    Full Text Available In the title compound, C21H25N3O6S, the dihedral angle between the methoxybenzene and indazole rings is 74.96 (5°. The crystal packing is stabilized by an N—H...O hydrogen bond into a two-dimensional network. In addition, C—H...π interactions and a π–π contact, with a centroid–centroid distance of 3.5333 (6 Å, are observed. The crystal packing is stabilized by N—H...O and C—H...O hydrogen bonds.

  17. Synthesis, Antimycobacterial, Antifungal and Photosynthesis-Inhibiting Activity of Chlorinated N-phenylpyrazine-2-carboxamides †

    Directory of Open Access Journals (Sweden)

    Katarina Kralova

    2010-11-01

    Full Text Available A series of sixteen pyrazinamide analogues with the -CONH- linker connecting the pyrazine and benzene rings was synthesized by the condensation of chlorides of substituted pyrazinecarboxylic acids with ring-substituted (chlorine anilines. The prepared compounds were characterized and evaluated for their antimycobacterial and antifungal activity, and for their ability to inhibit photosynthetic electron transport (PET. 6-Chloro-N-(4-chlorophenylpyrazine-2-carboxamide manifested the highest activity against Mycobacterium tuberculosis strain H37Rv (65% inhibition at 6.25 μg/mL. The highest antifungal effect against Trichophyton mentagrophytes, the most susceptible fungal strain tested, was found for 6-chloro-5-tert-butyl-N-(3,4-dichlorophenylpyrazine-2-carboxamide (MIC = 62.5 μmol/L. 6-Chloro-5-tert-butyl-N-(4-chlorophenylpyrazine-2-carboxamide showed the highest PET inhibition in spinach chloroplasts (Spinacia oleracea L. chloroplasts (IC50 = 43.0 μmol/L. For all the compounds, the relationships between the lipophilicity and the chemical structure of the studied compounds as well as their structure-activity relationships are discussed.

  18. Browse Title Index

    African Journals Online (AJOL)

    Items 151 - 200 of 229 ... Browse Title Index ... Issue, Title. Vol 14, No 2 ... Vol 15, No 1 (2017), Qualitative and quantitative methods of suicide research in old age, Abstract PDF ... Vol 11, No 2 (2013), Simple Algorithm in the Management of Fetal ...

  19. 6,6'-(1E,1'E-((1R,2R-1,2-Diphenylethane-1,2-diylbis(azan-1-yl-1-ylidenebis(methan-1-yl-1-ylidenebis(2-tert-butyl-4-((trimethylsilylethynylphenol

    Directory of Open Access Journals (Sweden)

    David Díaz Díaz

    2013-03-01

    Full Text Available Functionalizable salen derivative, 6,6'-(1E,1'E-((1R,2R-1,2-diphenylethane-1,2-diylbis(azan-1-yl-1-ylidenebis(methan-1-yl-1-ylidenebis(2-tert-butyl-4-((trimethylsilyl ethyn-ylphenol (3, was synthesized by condensation between (1R,2R-1,2-diphenylethane-1,2-diamine (2 and 3-tert-butyl-2-hydroxy-5-((trimethylsilylethynyl benzaldehyde (1 under refluxing conditions. The title compound was characterized by 1H-NMR, 13C-NMR, FT-IR, high-resolution mass spectrometry, optical rotation and melting point determination.

  20. Crystal field effect in the uranium compounds - model calculations for CsUF/sub 6/, Cs/sub 2/UCl/sub 6/ and UCl/sub 4/

    Energy Technology Data Exchange (ETDEWEB)

    Gajek, Z.; Mulak, J.; Faucher, M.

    1987-01-01

    A practical crystal field model allowing one to estimate the crystal field parameters from first principles is presented and applied to the actinide compounds. The model results directly from the renormalization (and reduction) procedure of the true Schroedinger equation for an effective Hamiltonian acting on the 5f spin-orbitals only. In practice this approach becomes convergent with the ab initio model of Newman. Three ionic uranium compounds: CsUF/sub 6/, Cs/sub 2/UCl/sub 6/ and UCl/sub 4/ have served as examples of the application. The results obtained, particularly for the first two compounds, are in good agreement with the experimental data. The contributions of different mechanisms responsible for the crystal field effect are discussed.

  1. Racemic methyl 3,10-dioxa-2-azatricyclo[6.2.1.02,6]undecane-4- carboxylate

    KAUST Repository

    Moosa, Basem; Fazal, Atif; Ali, Shaikh A.; Fettouhi, Mohammed

    2011-01-01

    The structure of the racemic title compound, C10H 15NO4, consists of a tricyclic skeleton comprising a six-membered piperidine ring and five-membered isoxazolidine and tetrahydrofuran rings. The piperidine ring adopts a distorted chair conformation

  2. Chemical effects of nuclear transformations in mixed crystals. 7. Chemical effects of the 35Cl(n,γ)36Cl nuclear reaction in K2ReCl6-K2ReBr6 mixed crystals

    International Nuclear Information System (INIS)

    Mueller, H.; Diefallah, E.H.M.; Martin, S.

    1981-01-01

    The solid-state reactions occurring during the moderation of recoiling 36 Cl, produced by the (n,γ) reaction, have been studied in K 2 ReCl 6 -K 2 ReBr 6 mixed crystals. The main reaction products are Re 36 ClCl 5 2- , Re 36 ClBr 5 2- , and 36 Cl - , but the more intimately mixed species Re 36 ClCl/sub n/Br/sub 5-n/ 2- (n = 1, 2, 3, 4) are found in significant amounts. The production of the different recoil-labeled species can be explained by elementary impact models: 6% of the recoils do not leave their original lattice site (primary retetion); between 6% and 23%, dependent upon the mixed-crystal composition, appear as interstitials; 31 to 48% give rise to direct displacement reactions of one halide ligand; and 40% produce larger disruption by substitution of at least two halide ligands. The results have been compared with Roessler's 38 Cl recoil experiments

  3. First-light instrument for the 3.6-m Devasthal Optical Telescope: 4Kx4K CCD Imager

    Science.gov (United States)

    Pandey, Shashi Bhushan; Yadav, Rama Kant Singh; Nanjappa, Nandish; Yadav, Shobhit; Reddy, Bheemireddy Krishna; Sahu, Sanjit; Srinivasan, Ramaiyengar

    2018-04-01

    As a part of in-house instrument developmental activity at ARIES, the 4Kx4K CCD Imager is designed and developed as a first-light instrument for the axial port of the 3.6-m Devasthal Optical Telescope (DOT). The f/9 beam of the telescope having a plate-scale of 6.4"/mm is utilized to conduct deeper photom-etry within the central 10' field of view. The pixel size of the blue-enhanced liquid nitrogen cooled STA4150 4Kx4K CCD chip is 15 μm, with options to select gain and speed values to utilize the dynamic range. Using the Imager, it is planned to image the central 6.5'x6.5' field of view of the telescope for various science goals by getting deeper images in several broad-band filters for point sources and objects with low surface brightness. The fully assembled Imager along with automated filter wheels having Bessel UBV RI and SDSS ugriz filters was tested in late 2015 at the axial port of the 3.6-m DOT. This instrument was finally mounted at the axial port of the 3.6-m DOT on 30 March 2016 when the telescope was technically activated jointly by the Prime Ministers of India and Belgium. It is expected to serve as a general purpose multi-band deep imaging instrument for a variety of science goals including studies of cosmic transients, active galaxies, star clusters and optical monitoring of X-ray sources discovered by the newly launched Indian space-mission called ASTROSAT, and follow-up of radio bright objects discovered by the Giant Meterwave Radio Telescope.

  4. N6,3′-cyclo-5′-O-Cyanomethylthymidine

    Directory of Open Access Journals (Sweden)

    Jingbo Sun

    2010-06-01

    Full Text Available The title compound, C19H20N4O4, is a cyclonucleoside with a C—N linkage. The furanose ring adopts a twist C3′-endo/C2′-exo (close to 3T2 conformation with a pseudorotational phase angle (P of 8.1° and puckering amplitude (vm of 30.6°. The orientation of the pyrimidine ring with respect to the sugar group is anti. One intramolecular C—H...O hydrogen bond is observed. The packing features an N—H...O hydrogen bond.

  5. Optimization of ultrasound-assisted extraction (UAE) of phenolic compounds from olive cake.

    Science.gov (United States)

    Mojerlou, Zohreh; Elhamirad, Amirhhossein

    2018-03-01

    The use of ultrasound in ultrasound-assisted extraction (UAE) is one of the main applications of this technology in food industry. This study aimed to optimize UAE conditions for olive cake extract (OCE) through response surface methodology (RSM). The optimal UAE conditions were obtained with extraction temperature of 56 °C, extraction time of 3 min, duty cycle of 0.6 s, and solid to solvent ratio of 3.6%. At the optimum conditions, the total phenolic compounds (TPC) content and antioxidant activity (AA) were measured 4.04 mg/g and 68.9%, respectively. The linear term of temperature had the most effect on TPC content and AA of OCE prepared by UAE. Protocatechuic acid and cinnamic acid were characterized as the highest (19.5%) and lowest (1.6%) phenolic compound measured in OCE extracted by UAE. This research revealed that UAE is an effective method to extract phenolic compounds from olive cake. RSM successfully optimized UAE conditions for OCE.

  6. Chloroquine Inhibits Dengue Virus Type 2 Replication in Vero Cells but Not in C6/36 Cells

    Directory of Open Access Journals (Sweden)

    Kleber Juvenal Silva Farias

    2013-01-01

    Full Text Available Dengue viruses are the most important arthropod-borne viruses in terms of morbidity and mortality in the world. Since there is no dengue vaccine available for human use, we have set out to investigate the use of chloroquine as an antiviral drug against dengue. Chloroquine, an amine acidotropic drug known to affect intracellular exocytic pathways by increasing endosomal pH, was used in the in vitro treatment of Vero and C6/36 cells infected with dengue virus type 2 (DENV-2. Real-time RT-PCR and plaque assays were used to quantify the DENV-2 load in infected Vero and C6/36 cells after chloroquine treatment. Our results showed that a dose of 50 μg/ml of chloroquine was not toxic to the cells and induced a statistically significant inhibition of virus production in infected Vero cells when compared to untreated cells. In C6/36 cells, chloroquine does not induce a statistically significant difference in viral replication when compared to untreated cells, showing that this virus uses an unlikely pathway of penetration in these cells, and results were also confirmed by the plaque assay (PFU. These data suggest that the inhibition of virus infection induced by chloroquine is due to interference with acidic vesicles in mammalian cells.

  7. Chloroquine inhibits dengue virus type 2 replication in Vero cells but not in C6/36 cells.

    Science.gov (United States)

    Farias, Kleber Juvenal Silva; Machado, Paula Renata Lima; da Fonseca, Benedito Antônio Lopes

    2013-01-01

    Dengue viruses are the most important arthropod-borne viruses in terms of morbidity and mortality in the world. Since there is no dengue vaccine available for human use, we have set out to investigate the use of chloroquine as an antiviral drug against dengue. Chloroquine, an amine acidotropic drug known to affect intracellular exocytic pathways by increasing endosomal pH, was used in the in vitro treatment of Vero and C6/36 cells infected with dengue virus type 2 (DENV-2). Real-time RT-PCR and plaque assays were used to quantify the DENV-2 load in infected Vero and C6/36 cells after chloroquine treatment. Our results showed that a dose of 50 μg/ml of chloroquine was not toxic to the cells and induced a statistically significant inhibition of virus production in infected Vero cells when compared to untreated cells. In C6/36 cells, chloroquine does not induce a statistically significant difference in viral replication when compared to untreated cells, showing that this virus uses an unlikely pathway of penetration in these cells, and results were also confirmed by the plaque assay (PFU). These data suggest that the inhibition of virus infection induced by chloroquine is due to interference with acidic vesicles in mammalian cells.

  8. Poly[di-μ2-aqua-μ5-(pyridine-2,6-dicarboxylato-μ3-(pyridine-2,6-dicarboxylato-cobalt(IIdisodium

    Directory of Open Access Journals (Sweden)

    Alexander N. Boyko

    2011-12-01

    Full Text Available In the title compound, [CoNa2(C7H3NO42(H2O2]n, the CoII atom is coordinated by two pyridine N atoms and four carboxylate O atoms from two doubly deprotonated pyridine-2,6-dicarboxylate ligands in a distorted octahedral geometry. One Na+ cation is coordinated by three carboxylate O atoms and two water molecules and the other is coordinated by five carboxylate O atoms and two water molecules in an irregular geometry. The bis(pyridine-2,6-dicarboxylatocobalt complex units are connected by Na+ cations and bridging water molecules into a three-dimensional coordination network. O—H...O hydrogen bonds are formed between the water molecules and the carboxylate O atoms.

  9. Improved Gas Chromatographic Determination of Guanidino Compounds Using Isovaleroylacetone and Ethyl Chloroformate as Derivatizing Reagents.

    Science.gov (United States)

    Zounr, Rizwan Ali; Khuhawar, Mumammad Yar; Jahangir, Taj Muhammad; Alamgir, Malik

    2016-01-01

    An improved GC method in terms of sensitivity and decrease in the analysis time has been developed for the analysis of eight guanidino compounds: guanidine (G), methylguanidine (MG), creatinine (CTN), guanidinoacetic acid (GAA), guanidinobutyric acid (GBA), guanidinopropionic acid (GPA), argenine (Arg), and guanidinosuccinic acid (GSA), using isovaleroylacetone (IVA) and ethyl chloroformate (ECF) as derivatizing reagents. The separation was obtained from column HP-5 (30 m × 0.32 mm i.d.) with film thickness of 0.25 μm within 11 min. The linear calibrations were obtained with 0.5 to 50 μg/mL with coefficient of determination (R(2)) within 0.9969 - 0.9998. Limits of detections (LODs) were within 5 - 140 ng/mL. The derivatization, separation and determination was repeatable (n = 6) with relative standard deviation (RSD) within 1.2 - 3.1%. The guanidino compounds were determined in deproteinized serum of healthy volunteers and uremic patients within below LOD to 8.8 μg/mL and below LOD to 43.99 μg/mL with RSD within 1.4 - 3.6%. The recovery of guanidino compounds calculated by standard addition from serum was within 96.1 - 98.9%, with RSD 1.4 - 3.6%.

  10. Index to Nuclear Safety: a technical progress review by chronology, permuted title, and author. Vol. 11(1)--Vol. 18(6)

    Energy Technology Data Exchange (ETDEWEB)

    Cottrell, W.B.; Klein, A.

    1978-04-11

    This index to Nuclear Safety covers articles published in Nuclear Safety, Vol. 11, No. 1 (January-February 1970), through Vol. 18, No. 6 (November-December 1977). It is divided into three sections: a chronological list of articles (including abstracts) followed by a permuted-title (KWIC) index and an author index. Nuclear Safety, a bimonthly technical progress review prepared by the Nuclear Safety Information Center (NSIC), covers all safety aspects of nuclear power reactors and associated facilities. Over 450 technical articles published in Nuclear Safety in the last eight years are listed in this index.

  11. Index to Nuclear Safety: a technical progress review by chronology, permuted title, and author. Vol. 11(1)--Vol. 18(6)

    International Nuclear Information System (INIS)

    Cottrell, W.B.; Klein, A.

    1978-01-01

    This index to Nuclear Safety covers articles published in Nuclear Safety, Vol. 11, No. 1 (January-February 1970), through Vol. 18, No. 6 (November-December 1977). It is divided into three sections: a chronological list of articles (including abstracts) followed by a permuted-title (KWIC) index and an author index. Nuclear Safety, a bimonthly technical progress review prepared by the Nuclear Safety Information Center (NSIC), covers all safety aspects of nuclear power reactors and associated facilities. Over 450 technical articles published in Nuclear Safety in the last eight years are listed in this index

  12. 2,3-Diamino?pyridinium 6-carb?oxy?pyridine-2-carboxyl?ate

    OpenAIRE

    Foroughian, Mahsa; Foroumadi, Alireza; Notash, Behrouz; Bruno, Giuseppe; Amiri Rudbari, Hadi; Aghabozorg, Hossein

    2011-01-01

    The asymmetric unit of the title proton-transfer compound, C5H8N3+·C7H4NO4−, consists of one mono-deprotonated pyridine-2,6-dicarboxylic acid as anion and one protonated 2,3-diaminopyridine as cation. The crystal packing shows extensive O—H...O, N—H...O and N—H...N hydrogen bonds. Thre are also several π–π interactions between the anions and also between the cations [centriod–centroid distances = 3.6634&...

  13. Synthesis and anti-HIV activity of novel 3-substituted phenyl-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]isoxazole analogues.

    Science.gov (United States)

    Ali, Mohamed A; Ismail, Rusli; Choon, Tan S; Yoon, Yeong K; Wei, Ang C; Pandian, Suresh; Samy, Jeyabalan G; De Clercq, Eric; Pannecouque, Christophe

    2011-01-01

    A series of novel 3-(substituted phenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]isoxazole analogues were synthesized by the reaction of 5,6-dimethoxy-2-[(E)-1-phenylmethylidene]-1-indanone with hydroxylamine hydrochloride. The title compounds were tested for their in vitro anti-HIV activity. Among the compounds, (4g) showed a promising anti-HIV activity in the in vitro testing against IIIB and ROD strains. The IC50 of both IIIB and ROD were found to be 9.05 microM and > 125 microM, respectively.

  14. Citric complexes, neodymium citrate and americium citrate

    International Nuclear Information System (INIS)

    Bouhlassa, Saidati.

    1981-06-01

    The behaviour of neodymium and americium has been studied in citric aqueous medium by two methods: solvent extraction of elements at tracer scale as chelates and by potentiometry. So range of pH and concentrations of elements and citric acid never reached before have been explored: 10 -7 -1 M, 10 -10 -3 , Csub(H3 Cit) -1 M, 1 2 O; AmCit, xH 2 O; NdCit 2 Co(NH 3 ) 6 , 8H 2 O; AmCit 2 Co(NH 3 ) 6 , xH 2 O and Nd 3 (OH) 4 (Cit) 4 NH 4 (Co(NH 3 ) 6 ) 2 , 18H 2 O. Their spectroscopic and crystallographic characteristics have been listed and studied. The nephelauxetic effect has been estimated from citric complexes as well as from citrates of these elements. The structure of the complexes in solution has been discussed on the basis of analysis of hypersensitive transition in different complexes [fr

  15. INIS: Authority list for journal titles

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-03-01

    This is the twenty-ninth revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). It lists the titles of 12 990 journals which have contained articles within the scope of INIS. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the reader to find titles easily, the list is divided into two parts. In Part I, the full journal titles are grouped by country or international organization responsible for coverage and ordered alphabetically. In Part II, the full journal titles of all countries or international organizations are arranged alphabetically. The country name or the international organization name responsible for coverage of the journal title to INIS is entered in parentheses. Journal titles marked with an asterisk are regularly scanned by INIS. Titles that have been identified by INIS Centres as 'Key Journals' are marked with the hash sign.

  16. INIS: Authority list for journal titles

    International Nuclear Information System (INIS)

    2003-01-01

    This is the twenty-ninth revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). It lists the titles of 12 990 journals which have contained articles within the scope of INIS. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the reader to find titles easily, the list is divided into two parts. In Part I, the full journal titles are grouped by country or international organization responsible for coverage and ordered alphabetically. In Part II, the full journal titles of all countries or international organizations are arranged alphabetically. The country name or the international organization name responsible for coverage of the journal title to INIS is entered in parentheses. Journal titles marked with an asterisk are regularly scanned by INIS. Titles that have been identified by INIS Centres as 'Key Journals' are marked with the hash sign

  17. The Action of Chain Extenders in Nylon-6, PET, and Model Compounds

    NARCIS (Netherlands)

    Loontjens, T.; Pauwels, K.; Derks, F.; Neilen, M.; Sham, C.K.; Serné, M.

    1997-01-01

    The action of two complementary chain extenders is studied in model systems as well as in poly(ethylene terephthalate) (PET) and nylon–6. Chain extenders are low molecular weight compounds that can be used to increase the molecular weight of polymers in a short time. The reaction must preferably be

  18. Synthesis and Anticancer Activity of Some Novel Tetralin-6-yl-pyrazoline, 2-Thioxopyrimidine, 2-Oxopyridine, 2-Thioxo-pyridine and 2-Iminopyridine Derivatives

    Directory of Open Access Journals (Sweden)

    Ebtehal S. Al-Abdullah

    2011-04-01

    Full Text Available The title compounds were prepared by reaction of 6-acetyltetralin (1 with different aromatic aldehydes 2a-c, namely 2,6-dichlorobenzaldehyde, 2,6-diflouro-benzaldehyde, and 3-ethoxy-4-hydroxybenzaldehyde, to yield the corresponding a,b-unsaturated ketones 3a-c. Compound 3b was reacted with hydrazine hydrate to yield the corresponding 2-pyrazoline 4, while compounds 3a,b reacted with thiourea to afford the 2-thioxopyrimidine derivatives 5a,b, respectively. The reaction of 1, and the aromatic aldehydes 2a-c with ethyl cyanoacetate, 2-cyano-thioacetamide or malononitrile in the presence of ammonium acetate yielded the corresponding 2-oxopyridines 6a,b, 2-thioxopyridines 7a-c or 2-iminopyridines 8a,b, respectively. The newly prepared compounds were evaluated for anticancer activity against two human tumor cell lines. Compound 3a showed the highest potency with IC50 = 3.5 and 4.5 μg/mL against a cervix carcinoma cell line (Hela and breast carcinoma cell line (MCF7, respectively.

  19. trans-(1,8-Dibenzyl-1,3,6,8,10,13-hexaazacyclotetradecanediisonicotinatonickel(II

    Directory of Open Access Journals (Sweden)

    Kil Sik Min

    2008-02-01

    Full Text Available In the centrosymmetric title compound, [Ni(C6H4NO22(C22H34N6], the NiII ion is bonded to the four secondary N atoms of the macrocyclic ligand in a square-planar fashion and two carboxylate O atoms of the isonicotinate ions in axial positions, resulting in a tetragonally distorted octahedron. An offset face-to-face π–π stacking interaction [centroid–centroid distance = 3.674(4 Å] and N—H...N and N—H...O hydrogen-bonding interactions give rise to a one-dimensional supramolecular structure in the solid state.

  20. 4-Hydroxy-6-methyl-3-[3-(thiophen-2-ylacryloyl]-2H-pyran-2-one

    Directory of Open Access Journals (Sweden)

    Salima Thabti

    2013-04-01

    Full Text Available The title compound, C13H10O4S, crystallizes with two molecules in the asymmetric unit in which the rings make dihedral angles of 3.9 (1 and 6.0 (1°; this planarity is due in part to the presence of an intramolecular O—H...O hydrogen bond, which generates an S(6 ring in each molecule. Both molecules represent E isomers with respect to the central C=C bond. In the crystal, molecules are linked by C—H...O interactions into a three-dimensional network.

  1. Browse Title Index

    African Journals Online (AJOL)

    Items 201 - 250 of 488 ... African Journal of Paediatric Surgery. ... Ileocecal valve atresia: Introduction of a new surgical approach ... Vol 4, No 1 (2007), Isolated Bilateral Macrostomia: Case Series and ... Vol 9, No 2 (2012), Laparoscopic inguinal hernia repair in ... List All Titles · Free To Read Titles This Journal is Open Access.

  2. (1R,4R,6S,7R-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.04,6]dodecan-12-one

    Directory of Open Access Journals (Sweden)

    Mohamed Zaki

    2014-05-01

    Full Text Available The title compound, C16H24Br2O, was synthesized from the reaction of β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene, which was isolated from Atlas cedar (Cedrus atlantica. The asymmetric unit contains two independent molecules with similar conformations. Each molecule is built up from two fused seven-membered rings and an additional three-membered ring. In both molecules, one of the seven-membered rings has a chair conformation, whereas the other displays a screw-boat conformation.

  3. 5-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H-dione

    Directory of Open Access Journals (Sweden)

    Salman A. Khan

    2010-03-01

    Full Text Available The title compound, 5-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H-dione, has been synthesized by condensation of 1,3-diethyl-2-thiobarbituric acid and 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR and EI-MS spectral analysis.

  4. Identification of a 48 kDa tubulin or tubulin-like C6/36 mosquito cells protein that binds dengue virus 2 using mass spectrometry

    International Nuclear Information System (INIS)

    Chee, H.-Y.; AbuBakar, Sazaly

    2004-01-01

    Binding of dengue virus 2 (DENV-2) to C6/36 mosquito cells protein was investigated. A 48 kDa DENV-2-binding C6/36 cells protein (D2BP) was detected in a virus overlay protein-binding assay. The binding occurred only to the C6/36 cells cytosolic protein fraction and it was inhibited by free D2BP. D2BP was shown to bind to DENV-2 E in the far-Western-binding studies and using mass spectrometry (MS) and MS/MS, peptide masses of the D2BP that matched to β-tubulin and α-tubulin chains were identified. These findings suggest that DENV-2 through DENV-2 E binds directly to a 48 kDa tubulin or tubulin-like protein of C6/36 mosquito cells

  5. Generation of nanopores during desorption of NH3 from Mg(NH3)6Cl2

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Sørensen, Rasmus Zink; Kostova, M.Y.

    2006-01-01

    It is shown that nanopores are formed during desorption of NH3 from Mg(NH3)6Cl2, which has been proposed as a hydrogen storage material. The system of nanopores facilitates the transport of desorbed ammonia away from the interior of large volumes of compacted storage material. DFT calculations sh...

  6. Synthesis, urease inhibition, antioxidant and antibacterial studies of some 4-amino-5-aryl-3H-1,2,4-triazole-3-thiones and their 3,6-disubstituted 1,2,4-triazolo[3,4-b]1,3,4-thiadiazole derivatives

    International Nuclear Information System (INIS)

    Hanif, Muhammad; Saleem, Muhammad; Rama, Nasim Hasan; Hussain, Muhammad Tahir; Zaib, Sumera; Aslam, Muhammad Adil M.; Iqbal, Jamshed; Jones, Peter G.

    2012-01-01

    A new series of 4-amino-5-aryl-3H-1,2,4-triazole-3-thiones, bearing various methoxybenzyl- and methoxyphenethyl groups, was synthesized by refluxing potassium hydrazinecarbodithioate salts in dilute aqueous solution of hydrazine hydrate. These salts were formed by the reaction of acid hydrazides and carbon disulfide in methanolic potassium hydroxide solution at 0-5 deg C. 4-Amino- 5-aryl-3H-1,2,4-triazole-3-thiones were condensed with different substituted aromatic acids to yield 3,6-disubstituted-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoles. The structures of the synthesized compounds were characterized by infrared (IR), 1 H and 13 C nuclear magnetic resonance (NMR), elemental analysis and mass spectrometric (MS) studies. All the synthesized compounds were screened for their urease inhibition, antioxidant and antibacterial activities. Some compounds showed excellent urease inhibition activity, more than the standard drug. Others exhibited potent antioxidant activity. All the compounds showed significant antibacterial activities as compared to the standard drug. (author)

  7. [Corrected Title: Solid-Phase Extraction of Polar Compounds from Water] Automated Electrostatics Environmental Chamber

    Science.gov (United States)

    Sauer, Richard; Rutz, Jeffrey; Schultz, John

    2005-01-01

    A solid-phase extraction (SPE) process has been developed for removing alcohols, carboxylic acids, aldehydes, ketones, amines, and other polar organic compounds from water. This process can be either a subprocess of a water-reclamation process or a means of extracting organic compounds from water samples for gas-chromatographic analysis. This SPE process is an attractive alternative to an Environmental Protection Administration liquid-liquid extraction process that generates some pollution and does not work in a microgravitational environment. In this SPE process, one forces a water sample through a resin bed by use of positive pressure on the upstream side and/or suction on the downstream side, thereby causing organic compounds from the water to be adsorbed onto the resin. If gas-chromatographic analysis is to be done, the resin is dried by use of a suitable gas, then the adsorbed compounds are extracted from the resin by use of a solvent. Unlike the liquid-liquid process, the SPE process works in both microgravity and Earth gravity. In comparison with the liquid-liquid process, the SPE process is more efficient, extracts a wider range of organic compounds, generates less pollution, and costs less.

  8. Content and Phrasing in Titles of Original Research and Review Articles in 2015: Range of Practice in Four Clinical Journals

    Directory of Open Access Journals (Sweden)

    Mary Ellen Kerans

    2016-04-01

    Full Text Available Reporting guidelines for clinical research designs emerged in the mid-1990s and have influenced various aspects of research articles, including titles, which have also been subject to changing uses with the growth of electronic database searching and efforts to reduce bias in literature searches. We aimed (1 to learn more about titles in clinical medicine today and (2 to develop an efficient, reliable way to study titles over time and on the fly—for quick application by authors, manuscript editors, translators and instructors. We compared content and form in titles from two general medical journals—the New England Journal of Medicine (NEJM and the British Medical Journal—and two anesthesiology journals (the European Journal of Anaesthesiology and Anesthesiology; we also analyzed the inter-rater reliability of our coding. Significant content differences were found in the frequencies of mentions of methods, results (between general and subspecialty titles, and geographic setting; phrasing differences were found in the prevalence of full-sentence and compound titles (and their punctuation. NEJM titles were significantly shorter, and this journal differed consistently on several features. We conclude that authors must learn to efficiently survey titles for form and content patterns when preparing manuscripts to submit to unfamiliar journals or on resubmitting to a new journal after rejection.

  9. Hepatoprotective Activity of a Complex Compound of 5-Hydroxy-6-Methyluracil and Succinic Acid in Experimental Peritonitis

    Directory of Open Access Journals (Sweden)

    D. A. Yenikeyev

    2008-01-01

    Full Text Available Objective: to evaluate the hepatoprotective efficacy of a complex compound of 5-hydroxy-6-methyluracil and succinic acid in experimental peritonitis. Materials and methods. Experiments were carried out on 48 male albino rats in which peritonitis was simulated via intraperitoneal administration of 7% fecal suspension in a dose of 0.6 ml per 100 g bodyweight. The rate of free radical oxidation processes, the activity of antioxidative protection, the degree of endogenous intoxication and cytolytic syndrome, and the effect of the test compound on these parameters were estimated in the experiment. Results. With the development of an abdominal inflammatory process, there were increases in rates of endogenous intoxication and free radical oxidation (FRO, a change in the activity of antioxidative protection enzymes, and a reduction in the levels of ceruloplasmin and sulfahydryl groups. The complex compound, that comprised 5-hydroxy-6-methyluracil and succinic acid used as monotherapy, reduced the degree of endogenous intoxication, FRO, and lipid peroxidation-antioxidative defense system imbalance. Conclusion. The experimental data suggest that the use of the complex compound containing succinic acid and 5-hydroxy-6-methy-luracil is pathogenetically warranted. Key words: peritonitis, lipid peroxidation, antioxidants, succinic acid, pyrim-idine derivatives.

  10. 2,4,6-Trimethyl-3,5-bis[(phenylcarbonothioylsulfanylmethyl]benzyl benzenecarbodithioate

    Directory of Open Access Journals (Sweden)

    M. Kannan

    2010-06-01

    Full Text Available In the title compound C33H30S6, the three pendant methylene benzodithioate groups lie to one side of the central benzene ring in a cis-cis-cis `tripod' arrangement. The dihedral angles between the central benzene ring and the three pendant rings are 72.54 (4, 89.68 (4 and 86.74 (4°. In the crystal structure, one of the benzene rings is disordered over two orientations in a 0.559 (13:0.441 (13 ratio.

  11. 2-(Substituted phenyl-3,4-dihydroisoquinolin-2-iums as Novel Antifungal Lead Compounds: Biological Evaluation and Structure-Activity Relationships

    Directory of Open Access Journals (Sweden)

    Xin-Juan Yang

    2013-08-01

    Full Text Available The title compounds are a class of structurally simple analogues of quaternary benzo[c]phenanthridine alkaloids (QBAs. In order to develop novel QBA-like antifungal drugs, in this study, 24 of the title compounds with various substituents on the N-phenyl ring were evaluated for bioactivity against seven phytopathogenic fungi using the mycelial growth rate method and their SAR discussed. Almost all the compounds showed definite activities in vitro against each of the test fungi at 50 μg/mL and a broad antifungal spectrum. In most cases, the mono-halogenated compounds 2–12 exhibited excellent activities superior to the QBAs sanguinarine and chelerythrine. Compound 8 possessed the strongest activities on each of the fungi with EC50 values of 8.88–19.88 µg/mL and a significant concentration-dependent relationship. The SAR is as follows: the N-phenyl group is a high sensitive structural moiety for the activity and the characteristics and position of substituents intensively influence the activity. Generally, electron-withdrawing substituents remarkably enhance the activity while electron-donating substituents cause a decrease of the activity. In most cases, ortha- and para-halogenated isomers were more active than the corresponding m-halogenated isomers. Thus, the title compounds emerged as promising lead compounds for the development of novel biomimetic antifungal agrochemicals. Compounds 8 and 2 should have great potential as new broad spectrum antifungal agents for plant protection.

  12. Double-flat-spiral magnetic structures: Theory and application to the RMn6X6 compounds

    International Nuclear Information System (INIS)

    Rosenfeld, E.V.; Mushnikov, N.V.

    2008-01-01

    We studied magnetic structure of a layered magnetic material, the lattice of which consists of magnetic layers separated by alternating non-magnetic layers (slabs) of two different types. For such structure, the exchange integrals between the nearest magnetic layers separated by different slabs may have different values, while the next-nearest neighbor exchange integral is the same for all magnetic layers. We developed a model based on three different interlayer exchange integrals. In the framework of this model we analyzed conditions of the appearance of a magnetic structure of the double-flat-spiral type and its distortion in external magnetic field. The results are most obtained in the analytical form. The model was applied to analyze the magnetic structure and magnetization process of the RMn 6 X 6 (R=Y, Sc, Lu; X=Sn, Ge) compounds with the layered crystal structure

  13. Identification and bioactivity of compounds from the fungus Penicillium sp. CYE-87 isolated from a marine tunicate.

    Science.gov (United States)

    Shaala, Lamiaa A; Youssef, Diaa T A

    2015-03-25

    In the course of our continuous interest in identifying bioactive compounds from marine microbes, we have investigated a tunicate-derived fungus, Penicillium sp. CYE-87. A new compound with the 1,4-diazepane skeleton, terretrione D (2), together with the known compounds, methyl-2-([2-(1H-indol-3-yl)ethyl]carbamoyl)acetate (1), tryptamine (3), indole-3-carbaldehyde (4), 3,6-diisobutylpyrazin-2(1H)-one (5) and terretrione C (6), were isolated from Penicillium sp. CYE-87. The structures of the isolated compounds were established by spectral analysis, including 1D (1H, 13C) and 2D (COSY, multiplicity edited-HSQC and HMBC) NMR and HRESIMS, as well as comparison of their NMR data with those in the literature. The compounds were evaluated for their antimigratory activity against the human breast cancer cell line (MDA-MB-231) and their antiproliferation activity against HeLa cells. Compounds 2 and 6 showed significant antimigratory activity against MDA-MB-231, as well as antifungal activity against C. albicans.

  14. Ethyl 8,13-dioxa-21-azapentacyclo[18.5.1.02,7.014,19.021,25]hexacosa-2(7,3,5,14,16,18-hexaene-26-carboxylate

    Directory of Open Access Journals (Sweden)

    Devadasan Velmurugan

    2013-01-01

    Full Text Available In the title compound, C26H31NO4, the five-membered rings of the central pyrrolizine system adopt N-envelope conformations. The ethyl acetate group adopts an extended conformation. The dihedral angle between the benzene rings is 36.6 (1°. In the crystal, C—H...O hydrogen bonds form a zigzag chain running along the b-axis directions. The crystal structure is futher consolidated by C—H...π interactions.

  15. 36 CFR 6.4 - Solid waste disposal sites not in operation on September 1, 1984.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Solid waste disposal sites... PARK SERVICE, DEPARTMENT OF THE INTERIOR SOLID WASTE DISPOSAL SITES IN UNITS OF THE NATIONAL PARK SYSTEM § 6.4 Solid waste disposal sites not in operation on September 1, 1984. (a) No person may operate...

  16. (η5-Pentamethylcyclopentadienyl(η6-4-phenylbutan-2-oneruthenium(II tetraphenylborate

    Directory of Open Access Journals (Sweden)

    Bradley T. Loughrey

    2010-12-01

    Full Text Available The title compound, [Ru(C10H15(C10H12O][B(C6H54], crystallizes as discrete (η5-pentamethylcyclopentadienylRu(η6-4-phenylbutan-2-one]+ cations and [BPh4]− anions. In the cation, the non-H atoms of the butan-2-one group are approximately planar (r.m.s. deviation = 0.056 Å and lie nearly perpendicular to the plane of the phenyl ring with a dihedral angle between the two planes of 69.3 (1°. No significant C—H...O interactions are observed between the methyl and phenyl H atoms and the carbonyl O atom.

  17. Physicochemical characterization of 3,6-diHydroxyflavone binding BSA immobilized on PEG-coated silver nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Voicescu, Mariana, E-mail: voicescu@icf.ro [Institute of Physical Chemistry “Ilie Murgulescu” of the Romanian Academy (Romania); Ionescu, Sorana [University of Bucharest, Department of Physical Chemistry (Romania); Calderon-Moreno, Jose M. [Institute of Physical Chemistry “Ilie Murgulescu” of the Romanian Academy (Romania); Nistor, Cristina L. [National R& D Institute for Chemistry and Petrochemistry ICECHIM, Polymer Department (Romania)

    2017-02-15

    Studies based on silver nanoparticles (SNPs) and polyethylene glycols (PEGs) are mainly in the pharmaceutical field, with PEG as good “vehicle” to transport protein-based drugs. In this work, physicochemical characteristics of 3,6-diHydroxyflavone (3,6-diHF) binding bovine serum albumin (BSA) on PEG (Tween20, L64, and Myrj52)-coated SNPs have been investigated by steady-state and time-resolved fluorescence spectroscopy. These interactions give rise to the formation of intermolecular and intramolecular H bonds. As a subject of interest, the effect of temperature (30–60 °C) on the H bonds was studied by steady-state fluorescence. The size distribution and zeta potential of SNPs were determined by dynamic light scattering (DLS). Scanning electron microscopy (SEM) analysis revealed the spherical nature of particles with average diameter ~40–80 nm. The structure, stability, dynamics, and conformational changes in adsorbed BSA protein on the PEG-coated SNPs surface have been also investigated by steady-state/lifetime fluorescence and circular dichroism spectroscopy. The results have relevance in the oxidative stress and drug delivery processes.

  18. Physicochemical characterization of 3,6-diHydroxyflavone binding BSA immobilized on PEG-coated silver nanoparticles

    Science.gov (United States)

    Voicescu, Mariana; Ionescu, Sorana; Calderon-Moreno, Jose M.; Nistor, Cristina L.

    2017-02-01

    Studies based on silver nanoparticles (SNPs) and polyethylene glycols (PEGs) are mainly in the pharmaceutical field, with PEG as good "vehicle" to transport protein-based drugs. In this work, physicochemical characteristics of 3,6-diHydroxyflavone (3,6-diHF) binding bovine serum albumin (BSA) on PEG (Tween20, L64, and Myrj52)-coated SNPs have been investigated by steady-state and time-resolved fluorescence spectroscopy. These interactions give rise to the formation of intermolecular and intramolecular H bonds. As a subject of interest, the effect of temperature (30-60 °C) on the H bonds was studied by steady-state fluorescence. The size distribution and zeta potential of SNPs were determined by dynamic light scattering (DLS). Scanning electron microscopy (SEM) analysis revealed the spherical nature of particles with average diameter 40-80 nm. The structure, stability, dynamics, and conformational changes in adsorbed BSA protein on the PEG-coated SNPs surface have been also investigated by steady-state/lifetime fluorescence and circular dichroism spectroscopy. The results have relevance in the oxidative stress and drug delivery processes.

  19. Browse Title Index

    African Journals Online (AJOL)

    2017), Mechanisms of Coix seed compositions in the treatment of spleen ... with Compound Kushen Injection in Hepatocellular Carcinoma, Abstract PDF ... Vol 13, No 6 (2016), Molecular identification of original plants of ...

  20. Lattice instability in the non-superconducting compound EuMo6S8

    International Nuclear Information System (INIS)

    Baillif, R.; Junod, A.; Lachal, B.; Muller, J.; Yvon, K.

    1981-01-01

    Electrical resistivity and specific heat measurements were performed on bulk Eusub(1.1)Mo 6 S 8 together with low-temperature X-ray powder diffractometry. These investigations revealed a structural phase transition (occuring at 109 K) from the room-temperature rhombohedral structure to a low-temperature triclinic distorted structure in which the compound exhibits a non-metallic behavior. (author)

  1. VERA 3.6 - CTF User's Manual

    Energy Technology Data Exchange (ETDEWEB)

    Avramova, Maria [North Carolina State Univ., Raleigh, NC (United States); Toptan, Aysenur [North Carolina State Univ., Raleigh, NC (United States); Porter, Nathan [North Carolina State Univ., Raleigh, NC (United States); Blyth, Taylor S. [Pennsylvania State Univ., University Park, PA (United States); Dances, Christopher A. [Pennsylvania State Univ., University Park, PA (United States); Gomez, Ana [Pennsylvania State Univ., University Park, PA (United States); Salko, Robert K. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wysocki, Aaron J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jernigan, Caleb [Holtec International, Marlton, NJ (United States); Kelly, Joeseph [U.S. Nuclear Regulatory Commission (NRC), Rockville, MD (United States)

    2017-04-01

    This document describes how to make a CTF input deck. A CTF input deck is organized into Card Groups and Cards. A Card Group is a collection of Cards. A Card is de ned as a line of input. Each Card may contain multiple data. A Card is terminated by making a new line. This document has been organized so that each Card Group is discussed in its own dedicated chapter. Each card is discused in its own dedicated section. Each data in the card is discussed in its own block. The block gives information about the data, including the number of the input, the title, a description of the meaning of the data, units, data type, and so on. An example block is shown below to discuss the meaning of each entry in the block.

  2. Theoretical investigation on the bond dissociation enthalpies of phenolic compounds extracted from Artocarpus altilis using ONIOM(ROB3LYP/6-311++G(2df,2p):PM6) method

    Science.gov (United States)

    Thong, Nguyen Minh; Duong, Tran; Pham, Linh Thuy; Nam, Pham Cam

    2014-10-01

    Theoretical calculations have been performed to predict the antioxidant property of phenolic compounds extracted from Artocarpus altilis. The Osbnd H bond dissociation enthalpy (BDE), ionization energy (IE), and proton dissociation enthalpy (PDE) of the phenolic compounds have been computed. The ONIOM(ROB3LYP/6-311++G(2df,2p):PM6) method is able to provide reliable evaluation for the BDE(Osbnd H) in phenolic compounds. An important property of antioxidants is determined via the BDE(Osbnd H) of those compounds extracted from A. altilis. Based on the BDE(Osbnd H), compound 12 is considered as a potential antioxidant with the estimated BDE value of 77.3 kcal/mol in the gas phase.

  3. (E,E-6,6′-Dimethoxy-2,2′-[o-phenylenebis(nitrilomethylidyne]diphenol

    Directory of Open Access Journals (Sweden)

    Yong Wang

    2009-04-01

    Full Text Available In the title compound, C22H20N2O4, the central benzene ring forms dihedral angles of 3.2 (2 and 61.1 (1° with the two outer substituted benzene rings. Intramolecular O—H...N hydrogen bonds are formed by both hydroxyl groups.

  4. (6S-2-tert-Butyl-6-[(4S,5R-3,4-dimethyl-5-phenyloxazolidin-2-yl]phenol

    Directory of Open Access Journals (Sweden)

    Alexander E. Anderson

    2010-04-01

    Full Text Available The title compound, C21H27NO2, exhibits hydrogen bonding between the phenolic H atom and the heterocyclic N atom. The absolute configuration of the molecule is known from the synthetic procedure.

  5. Index to Nuclear Safety: a technical progress review by chronology, permuted title, and author, Volume 18 (1) through Volume 22 (6)

    International Nuclear Information System (INIS)

    Cottrell, W.B.; Passiakos, M.

    1982-06-01

    This index to Nuclear Safety covers articles published in Nuclear Safety, Volume 18, Number 1 (January-February 1977) through Volume 22, Number 6 (November-December 1981). The index is divided into three section: a chronological list of articles (including abstracts), a permuted-title (KWIC) index, and an author index. Nuclear Safety, a bimonthly technical progress review prepared by the Nuclear Safety Information Center, covers all safety aspects of nuclear power reactors and associated facilities. Over 300 technical articles published in Nuclear Safety in the last 5 years are listed in this index

  6. Index to Nuclear Safety: a technical progress review by chronology, permuted title, and author, Volume 18 (1) through Volume 22 (6)

    Energy Technology Data Exchange (ETDEWEB)

    Cottrell, W.B.; Passiakos, M.

    1982-06-01

    This index to Nuclear Safety covers articles published in Nuclear Safety, Volume 18, Number 1 (January-February 1977) through Volume 22, Number 6 (November-December 1981). The index is divided into three section: a chronological list of articles (including abstracts), a permuted-title (KWIC) index, and an author index. Nuclear Safety, a bimonthly technical progress review prepared by the Nuclear Safety Information Center, covers all safety aspects of nuclear power reactors and associated facilities. Over 300 technical articles published in Nuclear Safety in the last 5 years are listed in this index.

  7. Experimental and Computational Approaches to the Molecular Structure of 3-(2-Mercaptopyridine)phthalonitrile

    International Nuclear Information System (INIS)

    Tanak, Hasan; Koysal, Yavuz; Isik, Samil; Yaman, Hanifi; Ahsen, Vefa

    2011-01-01

    The compound 3-(2-Mercaptopyridine)phthalonitrile has been synthesized and characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock (HF) and density functional theory (DFT) with the 6-31G(d) basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound in solvent media was examined using the B3LYP method with the 6-31G(d) basis set by applying the Onsager and polarizable continuum model. Using the TD-DFT and TD-HF methods, electronic absorption spectra of the title compound have been predicted and good agreement with the TD-DFT method and the experimental determination was found. The predicted nonlinear optical properties of the title compound are much greater than those of urea. Besides, molecular electrostatic potential of the title compound were investigated by theoretical calculations. The thermodynamic properties of the compound at different temperatures have been calculated and corresponding relations between the properties and temperature have also been obtained

  8. Experimental and Computational Approaches to the Molecular Structure of 3-(2-Mercaptopyridine)phthalonitrile

    Energy Technology Data Exchange (ETDEWEB)

    Tanak, Hasan [Amasya University, Amasys (Turkmenistan); Koysal, Yavuz; Isik, Samil [Ondokuz Mayis University, Samsun (Turkmenistan); Yaman, Hanifi; Ahsen, Vefa [Gebze Institute of Technology Department of Chemistry, Gebze-Kocaeli (Turkmenistan)

    2011-02-15

    The compound 3-(2-Mercaptopyridine)phthalonitrile has been synthesized and characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock (HF) and density functional theory (DFT) with the 6-31G(d) basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound in solvent media was examined using the B3LYP method with the 6-31G(d) basis set by applying the Onsager and polarizable continuum model. Using the TD-DFT and TD-HF methods, electronic absorption spectra of the title compound have been predicted and good agreement with the TD-DFT method and the experimental determination was found. The predicted nonlinear optical properties of the title compound are much greater than those of urea. Besides, molecular electrostatic potential of the title compound were investigated by theoretical calculations. The thermodynamic properties of the compound at different temperatures have been calculated and corresponding relations between the properties and temperature have also been obtained.

  9. A four-armed Schiff base: 6,6′,6′′,6′′′-tetramethoxy-2,2′,2′′,2′′′-[methanetetrayltetrakis(methylenenitrilomethylidyne]tetraphenol

    Directory of Open Access Journals (Sweden)

    Guang-Qi Jiang

    2008-08-01

    Full Text Available In the structure of the title compound, C37H40N4O8, pentaerythrityltetramine is bonded to four o-vanillin molecules, forming a four-armed Schiff base molecule. These molecules are connected by intermolecular C—H...O hydrogen bonds. Intramolecular C—H...N and O—H...N hydrogen bonds are also present.

  10. 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-1-thio-α-d-mannopyranoside

    Directory of Open Access Journals (Sweden)

    Ludovic Drouin

    2008-08-01

    Full Text Available The title compound, C21H26O10S, was synthesized in a single step from mannose pentaacetate. The molecular structure confirms the α configuration of the anomeric thioaryl substituent. Spectroscopic and melting-point data obtained for the title compound are in disagreement with those previously reported, indicating the previously reported synthesis [Durette & Shen (1980. Carbohydr. Res. 81, 261–274] to be erroneous. The crystal structure is stabilized by weak intermolecular C—H...O hydrogen bonds.

  11. Bis(3-acetyl-6-methyl-2-oxo-2H-pyran-4-olatobis(dimethyl sulfoxidenickel(II

    Directory of Open Access Journals (Sweden)

    Amel Djedouani

    2009-10-01

    Full Text Available In the title compound, [Ni(C8H7O42{(CH32SO}2], the NiII atom is located on a crystallographic centre of symmetry and has a distorted octahedral coordination geometry of type MO6. The bidentate dehydroacetic acid (DHA ligands occupy the equatorial plane of the complex in a trans configuration, and the dimethyl sulfoxide (DMSO ligands are weakly coordinated through their O atoms in the axial positions.

  12. Substitution and Redox Chemistry of [Bu(4)N](2)[Ta(6)Cl(12)(OSO(2)CF(3))(6)].

    Science.gov (United States)

    Prokopuk, Nicholas; Kennedy, Vance O.; Stern, Charlotte L.; Shriver, Duward F.

    1998-09-21

    Two sequential electrochemical reductions occur for the cluster anion [Ta(6)Cl(12)(OSO(2)CF(3))(6)](2)(-) at 0.89 and 0.29 V vs Ag/AgCl, with the generation [Ta(6)Cl(12)(OSO(2)CF(3))(6)](3)(-) and [Ta(6)Cl(12)(OSO(2)CF(3))(6)](4)(-). Chemical reduction of [Ta(6)Cl(12)(OSO(2)CF(3))(6)](2)(-) by ferrocene produces [Ta(6)Cl(12)(OSO(2)CF(3))(6)](3)(-) with the concomitant shift of the nu(SO(2)) stretch from 1002 to 1018 cm(-)(1). Reaction of [Bu(4)N](2)[Ta(6)Cl(12)(OSO(2)CF(3))(6)] (1) with [Bu(4)N]X (X = Cl, Br, I, NCS) occurs by reduction and substitution, yielding [Bu(4)N](3)[Ta(6)Cl(12)X(6)], where the clusters with X = Br, I, and NCS are new. Spectroscopic (IR and UV-vis) evidence indicates that the reduced cluster core {Ta(6)Cl(12)}(2+) is produced in reaction mixtures of 1 with the halide and pseudohalide ions. Concomitant substitution of the triflate ligands of 1 by X(-) occurs and the rates for the overall reduction and substitution increase in the order X(-) = Cl(-) < Br(-) < NCS(-) < I(-) < CN(-). Reduction of 1 with ferrocene followed by addition of [Bu(4)N]O(2)CCH(3) produces the new cluster [Ta(6)Cl(12)(O(2)CCH(3))(6)](3)(-) isolated as the tetrabutylammonium salt. Cyclic voltammetry and UV-vis spectroscopy on the new clusters [Bu(4)N](3)[Ta(6)Cl(12)X(6)] (X = Br, I, NCS, and O(2)CCH(3)) are reported. Crystal data for [Bu(4)N](3)[Ta(6)Cl(12)(NCS)(6)].CH(2)Cl(2): monoclinic, space group, P2(1)/c (No. 14); a = 25.855(6) Å, b = 21.843(6) Å, c = 16.423(3) Å; beta = 100.03(2) degrees; V = 9133(3) Å(3); Z = 4.

  13. 1,3-Diphenyl-3,4-dihydrobenzo[b][1,6]naphthyridine

    Directory of Open Access Journals (Sweden)

    Werner Seebacher

    2010-05-01

    Full Text Available The title compound, C24H18N2, is the first structural example containing the 3,4-dihydrobenzo[b][1,6]naphthyridine fragment. It was synthesized from 2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one and was crystallized from a methanol–ethanol solution over two years as a racemate. The C=N double bond [1.2868 (15 Å] is bent significantly out of the plane of the aromatic bicyclic ring system [N—C—C—C = −157.63 (12°] and out of the plane of the phenyl ring bonded at the 1-position [N—C—C—C = 41.15 (16°].

  14. Carboxylate ligands induced structural diversity of zinc(II) coordination polymers based on 3,6-bis(imidazol-1-yl)carbazole: Syntheses, structures and photocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Hong-Jian, E-mail: hjcheng@cslg.cn; Tang, Hui-Xiang; Shen, Ya-Li; Xia, Nan-Nan; Yin, Wen-Yu; Zhu, Wei; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin, E-mail: yuanrx@cslg.edu.cn

    2015-12-15

    Solvothermal reactions of Zn(NO{sub 3}){sub 2}·6H{sub 2}O with 3,6-bis(1-imidazolyl)carbazole (3,6-bmcz) and 1,4-benzenedicarboxylic acid (1,4-H{sub 2}bdc), p-phenylenediacetic acid (p-H{sub 2}pda), benzophenone-4,4-dicarboxylic acid (H{sub 2}bpda) afforded three coordination polymers [Zn(1,4-bdc)(3,6-bmcz)]{sub n} (1), {[Zn(p-pda)(3,6-bmcz)]·1.5H_2O}{sub n} (2) and {[Zn(bpda)(3,6-bmcz)]·0.25H_2O}{sub n} (3). Complexes 1–3 were characterized by elemental analysis, IR, powder X-ray diffraction, and single-crystal X-ray diffraction. Complex 1 shows 3D structure with 2D nets inclined polycatenation. Complexes 2 and 3 possess an extended 3D supramolecular architecture based on their respective 2D layers through hydrogen-bonding interactions and the π···π stacking interactions. The solid state luminescent and optical properties of 1–3 at ambient temperature were also investigated. A comparative study on their photocatalytic activity toward the degradation of methylene blue in polluted water was explored. - Graphical abstract: Reactions of Zn(NO{sub 3}){sub 2} and 3,6-(1-imidazolyl)carbazole with 1,4-benzenedicarboxylic acid, p-phenylenediacetic acid or benzophenone-4,4-dicarboxylic acid afforded three coordination polymers with different topologies and photocatalytic activity. - Highlights: • Reactions of 1,4-H{sub 2}bdc, p-H{sub 2}pda or H{sub 2}bpda with 3,6-bmcz and Zn(II) gave three CPs. • Complex 1 is a 3D entanglement. • Complex 2 or 3 is a 3D supramolecular structure based on different 2D layers. • Complex 2 exhibited good catalytic activity of methylene blue photodegradation.

  15. Bibliography about silicon non-organic fluorine compounds

    International Nuclear Information System (INIS)

    Carles, M.

    1963-01-01

    This bibliography is made from Professor I.G. Ryss' book published in Moscow in 1956, translated in English under the title 'The chemistry of fluorine and its inorganic compounds' (Translation series. AEC tr 3927, Pt 1 and 2), and completed with the data found in the 'Chemical Abstracts' of the years 1946 to 1962 [fr

  16. 36 Annual Meeting of Spanish Nuclear Society, Oct. 6-9 2010 Santiago de Compostela, Spain; 36 Reunion Anual Sociedad Nuclear Espanola, 6-8 de Octubre de 2010, Santiago de Compostela, Espana

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2010-07-01

    The Spanish Nuclear Society (SNE) is a non-profit association, made up of professionals and institutions in order to promote awareness and dissemination of science and nuclear technology. The 36th meeting of the SNE was held in Santiago de Compostela between 6 and 8 October 2010. Participants discussed the situation of nuclear energy and its challenges, the development of electric cars and their distributional implications, and the study of nuclear advertising on other countries and their potential application to the case of Spain.

  17. 50 CFR 36.36 - Sled dogs and household pets.

    Science.gov (United States)

    2010-10-01

    ... 50 Wildlife and Fisheries 6 2010-10-01 2010-10-01 false Sled dogs and household pets. 36.36... Sled dogs and household pets. The general trespass provisions of 50 CFR 26.21 shall not apply to household pets and sled, work, or pack dogs under the direct control of their owners or handlers, but such...

  18. EQPT, a data file preprocessor for the EQ3/6 software package: User's guide and related documentation (Version 7.0)

    International Nuclear Information System (INIS)

    Daveler, S.A.; Wolery, T.J.

    1992-01-01

    EQPT is a data file preprocessor for the EQ3/6 software package. EQ3/6 currently contains five primary data files, called datao files. These files comprise alternative data sets. These data files contain both standard state and activity coefficient-related data. Three (com, sup, and nea) support the use of the Davies or B equations for the activity coefficients; the other two (hmw and pit) support the use of Pitzer's (1973, 1975) equations. The temperature range of the thermodynamic data on these data files varies from 25 degrees C only to 0-300 degrees C. The principal modeling codes in EQ3/6, EQ3NR and EQ6, do not read a data0 file, however. Instead, these codes read an unformatted equivalent called a data1 file. EQPT writes a datal file, using the corresponding data0 file as input. In processing a data0 file, EQPT checks the data for common errors, such as unbalanced reactions. It also conducts two kinds of data transformation. Interpolating polynomials are fit to data which are input on temperature adds. The coefficients of these polynomials are then written on the datal file in place of the original temperature grids. A second transformation pertains only to data files tied to Pitzer's equations. The commonly reported observable Pitzer coefficient parameters are mapped into a set of primitive parameters by means of a set of conventional relations. These primitive form parameters are then written onto the datal file in place of their observable counterparts. Usage of the primitive form parameters makes it easier to evaluate Pitzer's equations in EQ3NR and EQ6. EQPT and the other codes in the EQ3/6 package are written in FORTRAN 77 and have been developed to run under the UNIX operating system on computers ranging from workstations to supercomputers

  19. Racemic methyl 3,10-dioxa-2-azatricyclo[6.2.1.02,6]undecane-4- carboxylate

    KAUST Repository

    Moosa, Basem

    2011-04-29

    The structure of the racemic title compound, C10H 15NO4, consists of a tricyclic skeleton comprising a six-membered piperidine ring and five-membered isoxazolidine and tetrahydrofuran rings. The piperidine ring adopts a distorted chair conformation, while the isoxazolidine and tetrahydrofuran rings have envelope conformations.

  20. 32 CFR 644.62 - Title evidence.

    Science.gov (United States)

    2010-07-01

    ... HANDBOOK Acquisition Procurement of Title Evidence, Title Clearance, and Closings § 644.62 Title evidence... and their charter to issue the same. They must also be financially sound and be willing and able to...

  1. Title to mining properties

    International Nuclear Information System (INIS)

    Crouch, K.M.

    1976-01-01

    The requirements of the law which must be met in order to create title to an unpatented mining claim and the procedures which should be followed when an attempt is made to determine the title to the claim is acceptable are reviewed

  2. Synthesis of 6-Methyl-9-propyldibenzothiophene-4-ol

    Energy Technology Data Exchange (ETDEWEB)

    Eisenbraun, E.J.

    1991-02-15

    The synthesis route for preparing the title compound, has been carried out on a small scale for the preparation of a mixture of isomers. Alternative routes for the cyclization are being explored. (DLC)

  3. 20 CFR 667.200 - What general fiscal and administrative rules apply to the use of WIA title I funds?

    Science.gov (United States)

    2010-04-01

    ... 29 CFR 97.36(b)(3) (as appropriate), which address codes of conduct and conflict of interest issues... training and related services, by itself, violates these conflict of interest provisions. (5) The addition... workplace requirements. All WIA title I grant recipients and subrecipients must comply with the government...

  4. New tetragonal derivatives of cubic NaZn{sub 13}-type structure: RNi{sub 6}Si{sub 6} compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd–Yb)

    Energy Technology Data Exchange (ETDEWEB)

    Pani, M.; Manfrinetti, P.; Provino, A. [INFM and Dipartimento di Chimica e Chimica Industriale, Universita‘ di Genova, Via Dodecaneso 31, 16146 Genova (Italy); Yuan, Fang; Mozharivskyj, Y. [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, ON, Canada L8S 4M1 (Canada); Morozkin, A.V., E-mail: morozkin@general.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Knotko, A.V.; Garshev, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Isnard, O. [Université Grenoble Alpes, Inst NEEL, BP166, F-38042 Grenoble (France); CNRS, Institut NEEL, 25 rue des martyrs, F-38042 Grenoble (France)

    2014-02-15

    Novel RNi{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure for R=La–Ce (tP52, space group P4/nbm N 125-1) and new YNi{sub 6}Si{sub 6}-type structure for R=Y, Sm, Gd–Yb (tP52, space group P4{sup ¯}b2N 117) that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi{sub 6}Si{sub 6} does not follow Curie–Weiss law. The DyNi{sub 6}Si{sub 6} shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μ{sub B}/f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. - Graphical abstract: Novel (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure and (Y, Sm, Gd–Yb) adopt the new YNi{sub 6}Si{sub 6}-type structure that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. Display Omitted - Highlights: • The new (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure. • The new (Y, Sm, Gd–Yb)Ni{sub 6}Si{sub 6} compounds adopt the new YNi{sub 6}Si{sub 6}-type structure. • TbNi{sub 6}Si

  5. Synthesis, crystal and electronic structures, and magnetic properties of LiLn{sub 9}Mo{sub 16}O{sub 35} (Ln=La, Ce, Pr, and Nd) compounds containing the original cluster Mo{sub 16}O{sub 36}

    Energy Technology Data Exchange (ETDEWEB)

    Gougeon, Patrick; Gall, Philippe [UMR CNRS 6226 - ' ' Sciences Chimiques de Rennes' ' , Universite de Rennes 1 - INSA (France); Cuny, Jerome; Gautier, Regis; Le Polles, Laurent [UMR CNRS 6226 - ' ' Sciences Chimiques de Rennes' ' , Ecole Nationale Superieure de Chimie de Rennes (France); Delevoye, Laurent; Trebosc, Julien [UMR CNRS 8181 - UCCS, ENSCL, Universite Lille Nord de France, Villeneuve d' Ascq (France)

    2011-12-02

    The new compounds LiLn{sub 9}Mo{sub 16}O{sub 35} (Ln=La, Ce, Pr, and Nd) were synthesized from stoichiometric mixtures of Li{sub 2}MoO{sub 4}, Ln{sub 2}O{sub 3}, Pr{sub 6}O{sub 11} or CeO{sub 2}, MoO{sub 3}, and Mo heated at 1600 C for 48 h in a molybdenum crucible sealed under a low argon pressure. The crystal structure, determined from a single crystal of the Nd member, showed that the main building block is the Mo{sub 16}O{sub 36} unit, the Mo{sub 16} core of which is totally new and results from the fusion of two bioctahedral Mo{sub 10} clusters. It can also be viewed as a fragment of an infinite twin chain of edge-sharing Mo{sub 6} octahedra. The Mo{sub 16}O{sub 36} cluster units share some oxygen atoms to form infinite chains running parallel to the b axis, which are separated by the rare-earth and lithium cations. {sup 7}Li-NMR experiments, carried out at high field on the nonmagnetic LiLa{sub 9}Mo{sub 16}O{sub 35}, provided insights into the local environment of the lithium ions. Magnetic susceptibility measurements confirmed the trivalent oxidation state of the magnetic rare-earth cations and indicated the absence of localized moments on the Mo{sub 16} clusters. The electronic structure of the LiLn{sub 9}Mo{sub 16}O{sub 35} compounds was analyzed using molecular and periodic quantum calculations. The study of the molecular orbital diagrams of isolated Mo{sub 16}O{sub 36} models allowed the understanding of this unique metallic architecture. Periodic density functional theory calculations demonstrated that few interactions occur between the Mo{sub 16} clusters, and predicted semiconducting properties for LiLn{sub 9}Mo{sub 16}O{sub 35} as a band gap of 0.57 eV was computed for the lanthanum phase. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Polymorphism of tungsten perovskite compounds Ba/sub 2/SEsub(0. 67)WO/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (F.R. Germany). Inst. fuer Anorganische Chemie

    1976-09-01

    The compounds Ba/sub 2/SEsub(0.67)WO/sub 6/ with SE = Gd-Lu are polymorphic. Above 1200/sup 0/C the instable cubic modification (ordered perovskite with 4 formula units Ba/sub 2/SEsub(0.67)vacantsub(0.33)WO/sub 6/ per cell) transforms irreversibly into a hexagonal modification with completely filled cationic lattice. For Ba/sub 2/Eusub(0.67)WO/sub 6/ the transformation is incomplete. With SE = Nd and Sm only the cubic modification is formed.

  7. Synthesis, vibrational and optical properties of a new three-layered organic-inorganic perovskite (C{sub 4}H{sub 9}NH{sub 3}){sub 4}Pb{sub 3}I{sub 4}Br{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Dammak, T., E-mail: thameurlpa@yahoo.f [Laboratoire de Physique appliquee (LPA), Faculte des Sciences de Sfax, 3018, BP 802 (Tunisia); Elleuch, S. [Laboratoire de Physique appliquee (LPA), Faculte des Sciences de Sfax, 3018, BP 802 (Tunisia); Bougzhala, H. [Laboratoire de cristallochimie et des materiaux, Faculte des Sciences de Tunis (Tunisia); Mlayah, A. [Centre d' Elaboration de Materiaux et d' Etudes Structurales, CNRS-Universite Paul Sabatier, 29 rue Jeanne Marvig, 31055 Toulouse, Cedex 4 (France); Chtourou, R. [Centre de Recherche et des Technologies de l' Energie CRTEn BP. 95, Hammam-Lif 2050, Laboratoire de Photovoltaique et de Semiconducteur (Tunisia); Abid, Y. [Laboratoire de Physique appliquee (LPA), Faculte des Sciences de Sfax, 3018, BP 802 (Tunisia)

    2009-09-15

    An organic-inorganic hybrid perovskite (C{sub 4}H{sub 9}NH{sub 3}){sub 4}Pb{sub 3}I{sub 4}Br{sub 6} was synthesized and studied by X-ray diffraction, Raman and infrared spectroscopies, optical transmission and photoluminescence. The title compound, abbreviated (C{sub 4}){sub 4}Pb{sub 3}I{sub 4}Br{sub 6}, crystallises in a periodic two-dimensional multilayer structure with P2{sub 1}/a space group. The structure is built up from alternating inorganic and organic layers. Each inorganic layer consists of three sheets of PbX{sub 6} (X=I, Br) octahedra. Raman and infrared spectra of the title compound were recorded in the 100-3500 and 400-4000 cm{sup -1} frequency ranges, respectively. An assignment of the observed vibration modes is reported. Optical transmission measurements, performed on thin films of (C{sub 4}){sub 4}Pb{sub 3}I{sub 4}Br{sub 6}, revealed two absorption bands at 474 and 508 nm. Photoluminescence measurements have shown a green emission peak at 519 nm.

  8. (E-5,6-Dimethoxy-2-(pyridin-4-ylmethylidene-2,3-dihydro-1H-inden-1-one

    Directory of Open Access Journals (Sweden)

    Mohamed Ashraf Ali

    2010-11-01

    Full Text Available The molecule of the title compound, C17H15NO3, is slightly twisted, with a dihedral angle of 12.12 (3° between the dihydroindenone group and the pyridine ring. In the crystal, molecules are connected into layers parallel to the ab plane via intermolecular C—H...O hydrogen bonds. Weak π–π [centroid–centroid distance = 3.5680 (6 Å] interactions are also observed.

  9. Absorption of nitric oxide from simulated flue gas using different absorbents at room temperature and atmospheric pressure

    International Nuclear Information System (INIS)

    Yu, Hesheng; Zhu, Qunyi; Tan, Zhongchao

    2012-01-01

    Effective removal of nitrogen oxides (NO x ) from flue gas allows more fossil fuels to be produced and utilized with less negative impact on the environment. It would be more cost-effective, however, if nitric oxide (NO) is oxidized to soluble nitrate and nitrite and then removed from the air by existing desulfurization wet scrubbers. This paper compares the effectiveness of three different oxidants for this purpose, namely, ethylenediaminetetraacetic acid; iron (2+) (Fe(II)–EDTA), hexamminecobalt(II) chloride ([Co(NH 3 ) 6 ]Cl 2 ), and hydrogen peroxide (H 2 O 2 ). Experimental results using column reactors showed that [Co(NH 3 ) 6 ]Cl 2 was more effective over the same period of time. The best initial NO removal efficiency of about 96.45% was measured at the inlet flow rate of 500 ml/min; the temperature of approximately 19 °C; the pH value of around 10.5; and the concentrations of [Co(NH 3 ) 6 ]Cl 2 , NO and O 2 of 0.06 mol/L, 500 ppm and 5.0%, respectively.

  10. A one-pot synthesis of 1,6,9,13-tetraoxadispiro(4.2.4.2)tetradecane by hydrodeoxygenation of xylose using a palladium catalyst

    Science.gov (United States)

    In an effort to expand the number of biobased chemicals available from sugars, xylose has been converted to 1,6,9,13-tetraoxadispiro(4.2.4.2)tetradecane in a one-pot reaction using palladium supported on silica-alumina as the catalyst. The title compound is produced in 35-40% yield under 7 MPa H2 pr...

  11. 2,5-Bis{2,2-bis[4-(dimethylaminophenyl]ethenyl}-N,N′-diphenyl-N,N′-dipropylbenzene-1,4-diamine

    Directory of Open Access Journals (Sweden)

    Volker Schmitt

    2011-04-01

    Full Text Available The title compound, C60H68N6, was prepared by Horner olefination of a terephthaldialdehyde and a diarylmethyl phosphonate. There is one half-molecule, located on an inversion centre, in the asymmetric unit. The dihedral angle between the plane of the vinylene unit and the central ring is 36.79 (15°, while those between the vinylene unit and the lateral phenyl rings are 53.04 (10 and 53.74 (9°.

  12. Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-d:6,5-d′]dipyrimidin-5-ylbenzamide dimethylformamide hemisolvate

    Directory of Open Access Journals (Sweden)

    Armen Ayvazyan

    2014-10-01

    Full Text Available The title compound, C20H18N6O5·0.5C3H7NO, crystallized as a dimethylformamide (DMF solvate. In the main molecule, the dihedral angle between the pyridodipyrimidine fused-ring system and the benzamide substituent is 82.26 (11°. In the crystal, the benzamide molecules are linked by N—H...O hydrogen bonds to generate tetramers with an approximate square-prismatic shape, which appears to correlate with the tetragonal crystal symmetry. The DMF molecule is disordered about a crystallographic twofold axis and accepts a C—H...O interaction from the benzamide molecule.

  13. Racemic methyl 3,10-dioxa-2-azatricyclo[6.2.1.02,6]undecane-4-carboxylate

    Directory of Open Access Journals (Sweden)

    Basem A. Moosa

    2011-05-01

    Full Text Available The structure of the racemic title compound, C10H15NO4, consists of a tricyclic skeleton comprising a six-membered piperidine ring and five-membered isoxazolidine and tetrahydrofuran rings. The piperidine ring adopts a distorted chair conformation, while the isoxazolidine and tetrahydrofuran rings have envelope conformations.

  14. 6-Chloro-3-[5-(3-methoxy-8-methyl-4-quinolyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenylquinoline

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2009-11-01

    Full Text Available In the title compound, C36H29ClN4O, the dihydropyrazole ring adopts an envelope conformation. The two quinoline ring systems (r.m.s. deviations = 0.029 and 0.018 Å are oriented at a dihedral angle of 71.43 (4°. One of the quinoline rings makes a dihedral angle of 65.40 (7° with the phenyl substituent. In the crystal, molecules are linked into chains along the b axis by intermolecular C—H...N hydrogen bonds. In addition, C—H...π and π–π [centroid–centroid distance = 3.7325 (8 Å] interactions are observed.

  15. Tris[(6S)-6-hy­droxy-4-epi-shikimic acid] monohydrate: an enanti­omerically pure hy­droxy­lated shikimic acid derived from methyl shikimate

    Science.gov (United States)

    Griesbeck, Axel G.; Miara, Claus; Neudörfl, Jörg-M.

    2012-01-01

    The title compound, 3C7H10O6·H2O, is the enanti­omerically pure product of a multi-step synthesis from the enanti­omerically pure natural shikimic acid. The asymmetric unit contains three mol­ecules of the acid and one mol­ecule of water. The cyclo­hexene rings of the acids have half-chair conformations. The carboxyl­ate, the four hydroxide groups and the additional water mol­ecule form a complex three-dimensional hydrogen-bonding network. PMID:23284468

  16. INIS: Authority list for journal titles

    International Nuclear Information System (INIS)

    2005-01-01

    This is the 31st revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13,104 journal titles, 2,078 regularly scanned journals and 561 key journals. It was last updated in February 2005. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part III, all journals that are regularly scanned by INIS Centers are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part IV, all journals that are regularly scanned by INIS Centers are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part V, all journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part VI, all journals are sorted alphabetically under their title. The name of the

  17. INIS: Authority list for journal titles

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-03-01

    This is the 31st revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13,104 journal titles, 2,078 regularly scanned journals and 561 key journals. It was last updated in February 2005. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part III, all journals that are regularly scanned by INIS Centers are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part IV, all journals that are regularly scanned by INIS Centers are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part V, all journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part VI, all journals are sorted alphabetically under their title. The name of the

  18. INIS: Authority list for journal titles

    International Nuclear Information System (INIS)

    2006-01-01

    This is the 32nd revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13,231 journal titles, 2,125 regularly scanned journals and 555 key journals. It was last updated in February 2006. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part III, all journals that are regularly scanned by INIS Centres are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part IV, all journals that are regularly scanned by INIS Centres are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part V, all journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part VI, all journals are sorted alphabetically under their title. The name of the

  19. Index to Nuclear Safety: a technical progress review by chrology, permuted title, and author, Volume 11(1) through Volume 20(6)

    Energy Technology Data Exchange (ETDEWEB)

    Cottrell, W B; Passiakos, M

    1980-06-01

    This index to Nuclear Safety, a bimonthly technical progress review, covers articles published in Nuclear Safety, Volume II, No. 1 (January-February 1970), through Volume 20, No. 6 (November-December 1979). It is divided into three sections: a chronological list of articles (including abstracts) followed by a permuted-title (KWIC) index and an author index. Nuclear Safety, a bimonthly technical progress review prepared by the Nuclear Safety Information Center (NSIC), covers all safety aspects of nuclear power reactors and associated facilities. Over 600 technical articles published in Nuclear Safety in the last ten years are listed in this index.

  20. 3.6 AND 4.5 μm PHASE CURVES OF THE HIGHLY IRRADIATED ECCENTRIC HOT JUPITER WASP-14b

    Energy Technology Data Exchange (ETDEWEB)

    Wong, Ian; Knutson, Heather A. [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States); Lewis, Nikole K. [Space Telescope Science Institute, Baltimore, MD 21218 (United States); Kataria, Tiffany [Astrophysics Group, School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom); Burrows, Adam [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Fortney, Jonathan J.; Laughlin, Gregory [Department of Astronomy and Astrophysics, University of California at Santa Cruz, Santa Cruz, CA 95604 (United States); Schwartz, Joel [Department of Physics and Astronomy, Northwestern University, Evanston, IL 60208 (United States); Agol, Eric [Department of Astronomy, University of Washington, Seattle, WA 98195 (United States); Cowan, Nicolas B. [Department of Physics and Astronomy, Amherst College, Amherst, MA 01002 (United States); Deming, Drake [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Désert, Jean-Michel [Department of Astrophysical and Planetary Science, University of Colorado, Boulder, CO 80309 (United States); Fulton, Benjamin J.; Howard, Andrew W. [Institute for Astronomy, University of Hawaii, Honolulu, HI 96822 (United States); Langton, Jonathan [Department of Physics, Principia College, Elsah, IL 62028 (United States); Showman, Adam P. [Lunar and Planetary Laboratory, University of Arizona, Tucson, AZ 85721 (United States); Todorov, Kamen, E-mail: iwong@caltech.edu [Institute for Astronomy, ETH Zürich, 8093 Zürich (Switzerland)

    2015-10-01

    We present full-orbit phase curve observations of the eccentric (e ∼ 0.08) transiting hot Jupiter WASP-14b obtained in the 3.6 and 4.5 μm bands using the Spitzer Space Telescope. We use two different methods for removing the intrapixel sensitivity effect and compare their efficacy in decoupling the instrumental noise. Our measured secondary eclipse depths of 0.1882% ± 0.0048% and 0.2247% ± 0.0086% at 3.6 and 4.5 μm, respectively, are both consistent with a blackbody temperature of 2402 ± 35 K. We place a 2σ upper limit on the nightside flux at 3.6 μm and find it to be 9% ± 1% of the dayside flux, corresponding to a brightness temperature of 1079 K. At 4.5 μm, the minimum planet flux is 30% ± 5% of the maximum flux, corresponding to a brightness temperature of 1380 ± 65 K. We compare our measured phase curves to the predictions of one-dimensional radiative transfer and three-dimensional general circulation models. We find that WASP-14b’s measured dayside emission is consistent with a model atmosphere with equilibrium chemistry and a moderate temperature inversion. These same models tend to overpredict the nightside emission at 3.6 μm, while underpredicting the nightside emission at 4.5 μm. We propose that this discrepancy might be explained by an enhanced global C/O ratio. In addition, we find that the phase curves of WASP-14b (7.8 M{sub Jup}) are consistent with a much lower albedo than those of other Jovian mass planets with thermal phase curve measurements, suggesting that it may be emitting detectable heat from the deep atmosphere or interior processes.

  1. Thermal stability of LiNaR2F8 compounds (R=Ho-Lu, Y)

    International Nuclear Information System (INIS)

    Fedorov, P.P.; Medvedeva, L.V.; Bondareva, O.S.; Sobolev, B.P.

    1990-01-01

    Monoclinic pseudorhombic compound mentioned in the title are investigated. It is determined, that the compounds are stable within temperature narrow range: Ho - 575-693 degC, Er - 566-712deg C, Tm - 560-710 deg C, Yb - less than 685 deg C, Y - 580-712 deg C. Triangulation of LiF-NaF-YF 3 system is carried out

  2. (5S,6R-6-Bromo-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

    Directory of Open Access Journals (Sweden)

    Winai Ieawsuwan

    2011-10-01

    Full Text Available The title compound, C15H15BrO2, was synthesized by a Brønsted acid-catalysed domino electrocyclization-halogenation reaction. The five-membered ring is essentially planar (r.m.s. deviation 0.006 Å and forms a dihedral angle of 72.7 (3° with the attached phenyl ring. The six-membered heterocycle adopts a half-chair conformation. The crystal packing is stabilized by a C—H...O contact.

  3. 6-(Hex-5-enyloxynaphthalene-2-carboxylic acid

    Directory of Open Access Journals (Sweden)

    Md. Lutfor Rahman

    2014-06-01

    Full Text Available The asymmetric unit of the title compound, C17H18O3, comprises three independent molecules with similar geometries. In each molecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2, 1.05 (19° and 1.5 (2°. The butene group in all three molecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6:0.336 (6. In the crystal, molecules are oriented with respect to their carbonyl groups, forming head-to-head dimers via O—H...O hydrogen bonds. Adjacent dimers are further interconnected by C—H...O hydrogen bonds into chains along the a-axis direction. The crystal structure is further stabilized by weak C—H...π interactions.

  4. Synthesis and cristal structure of isopropylideneamino-6-imino-6,7-dihydrofurazano-[3,4-b]thiazolo[4,5-e] pyrazine

    International Nuclear Information System (INIS)

    Mishnev, A.; Kemme, A.; Starchenkov, I.; Andrianov, V.

    1999-01-01

    The crystal structure of the title compound has been determined in order to resolve between two possible structures, containing endocyclic or exocyclic sulfur atom, both consistent with spectral data. It was shown that the product obtained had an iminothiazolic structure. (author)

  5. 4,10-Diallyloxy-1,2,3,6b,7,8,9,12b-octahydroperylene

    Directory of Open Access Journals (Sweden)

    Terrill D. Smith

    2010-01-01

    Full Text Available In the title compound, C26H28O2, the central atoms are coplanar, with the –CH2—CH2– links of the cyclohexene groups lying to either side of the plane and with the diallyloxy residues twisted out of this plane [C—C—O—C torsion angles = 16.6 (3 and −13.9 (3°]. In the crystal structure, molecules are connected into chains propagating in [100] via C—H...π interactions.

  6. KARIES GIGI ANAK SMA BRONKHIALE USIA 3-6 TAHUN (Laporan Penelitian

    Directory of Open Access Journals (Sweden)

    Rinati Adrin

    2015-07-01

    Full Text Available The aim of this study was to determine the difference of oral hygiene and teeth caries in children with asthma bronchiale, age 3-6 years with several levels of frequency of asthma attack. Fifty children with asthma bronchiale were chosen from Pulmonology Clinic University of Indonesia RSCM. This study used Green and Vermilion to assess the oral hygiene and def-t index for measured caries. The frequency of asthma attack was amount of attack of children using drugs per year. The sample was divided into 3 groups. The first group consists of children with asthma 2-6 attacks per year. Second group with 7-12 attacks per year, and the third group more than 12 times per year. One way ANOVA test showed that the oral hygiene and def-t had significant differences between the three groups (p>0.001. Tukey test showed that oral hygiene had significant differences between the group I-II, I-III, II-III respectively (p>0.001. There was a strong correlation between oral hygiene and frequency of asthma attack (r=0.68, def-t and frequency of asthma attacks (r-0.75, and oral hygiene and caries (r-0.85.

  7. 36 CFR 801.6 - Coordination with requirements under the National Environmental Policy Act (42 U.S.C. 4321 et seq.).

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Coordination with requirements under the National Environmental Policy Act (42 U.S.C. 4321 et seq.). 801.6 Section 801.6 Parks... OF THE URBAN DEVELOPMENT ACTION GRANT PROGRAM § 801.6 Coordination with requirements under the...

  8. Quantum Chemical Investigation of the Transition States and Intermediates for the Reaction of the Nitrosonium Ion with the Pentaammineazidocobalt(III) Ion.

    Science.gov (United States)

    Rotzinger, François P

    2016-12-19

    The water exchange reaction on Co(NH 3 ) 5 OH 2 3+ was investigated with various density functionals and basis sets. A Gibbs activation energy (ΔG ⧧ ) agreeing with experiment was obtained with the long-range-corrected functionals ωB97X-D3 and LC-BOP-LRD, SMD hydration, and modified Karlsruhe def2-TZVP basis sets. This computational technique was then applied to the reaction of NO + with Co(NH 3 ) 5 N 3 2+ . All of the possible pathways were investigated, NO + attack at the terminal N of Co(NH 3 ) 5 N 3 2+ via the E and the Z isomers of the transition states, and NO + attack at the bound N of azide, also via both isomers. The most favorable pathway proceeds via the attack at the bound N via the Z isomer. This leads to the intermediate with an oxatetrazole ligand bound to Co(III) at the N in the 3-position, Co(NH 3 ) 5 (cycl-N 4 O) 3+ , which undergoes N 2 elimination to yield the Co(NH 3 ) 5 N 2 O 3+ intermediate. The subsequent substitution of N 2 O by water follows the I d mechanism with retention of the configuration. No evidence for the existence of the square-pyramidal pentacoordinated intermediate Co(NH 3 ) 5 3+ was found. All of the investigated intermediates, Co(NH 3 ) 5 N 2 3+ , Co(NH 3 ) 5 [E-N(N 2 )(NO)] 3+ , Co(NH 3 ) 5 (E-ON 4 ) 3+ , Co(NH 3 ) 5 ON 2 3+ , Co(NH 3 ) 5 (cycl-N 4 O) 3+ , and Co(NH 3 ) 5 N 2 O 3+ , exhibit short lifetimes of less than ∼60 μs and react via the I d mechanism.

  9. Acetylene–ammonia–18-crown-6 (1/2/1

    Directory of Open Access Journals (Sweden)

    Tobias Grassl

    2012-10-01

    Full Text Available The title compound, C2H2·C12H24O6·2NH3, was formed by co-crystallization of 18-crown-6 and acetylene in liquid ammonia. The 18-crown-6 molecule has threefold rotoinversion symmetry. The acteylene molecule lies on the threefold axis and the whole molecule is generated by an inversion center. The two ammonia molecules are also located on the threefold axis and are related by inversion symmetry. In the crystal, the ammonia molecules are located below and above the crown ether plane and are connected by intermolecular N—H...O hydrogen bonds. The acetylene molecules are additionally linked by weak C—H...N interactions into chains that propagate in the direction of the crystallographic c axis. The 18-crown-6 molecule [occupancy ratio 0.830 (4:0.170 (4] is disordered and was refined using a split model.

  10. 2-Isobutyl-6-(4-methoxyphenylimidazo[2,1-b][1,3,4]thiadiazole

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-02-01

    Full Text Available In the title compound, C15H17N3OS, the dihedral angle between the statistically planar imidazo[2,1-b][1,3,4]thiadiazole fused-ring system (r.m.s. deviation = 0.002 Å and the methyoxbenzene ring is 4.52 (6°. In the crystal, molecules are arranged into columns and stacked down the a axis. The crystal structure is stabilized by weak C—H...π and π–π interactions [centroid–centroid separations = 3.6053 (8 and 3.7088 (7 Å].

  11. 2-(5,6-Diphenyl-1,2,4-triazin-3-ylaniline

    Directory of Open Access Journals (Sweden)

    Mariusz Mojzych

    2012-12-01

    Full Text Available The title compound, C21H16N4, obtained under standard Suzuki cross-coupling conditions, is a model compound in the synthesis and biological activity evaluation of new aza-analogues of sildenafil containing a pyrazolo[4,3-e][1,2,4]triazine system. An N—H...N intramolecular hydrogen bond involving the aminobenzene system and the 1,2,4-triazine moiety helps to establish a near coplanar orientation of the rings with a dihedral angle of 12.04 (4°, which is believed to be necessary for the biological activity of sildenafil analogues. The 1,2,4-triazine ring is slightly distorted from planarity [r.m.s deviation = 0.0299 (11 Å] and forms dihedral angles of 58.60 (4 and 36.35 (3° with the pendant phenyl rings. The crystal packing features bifurcated N—H...(N,N hydrogen bonds linking screw-axis-related molecules into chains parallel to the [010] direction< and π–π interactions, with a centroid–centroid separation of 3.8722 (7 Å and a slippage of 1.412 (3 Å. The crystal studied was a nonmerohedral twin with a ratio of 0.707 (2:0293 (2.

  12. 7 CFR 1927.55 - Title clearance services.

    Science.gov (United States)

    2010-01-01

    ... REGULATIONS TITLE CLEARANCE AND LOAN CLOSING Real Estate Title Clearance and Loan Closing § 1927.55 Title clearance services. (a) Responsibilities of closing agents. Services to be provided to the agency and the borrower by a closing agent in connection with the transaction vary depending on whether a title insurance...

  13. Investigation of Phenolic Compounds and Antioxidant Activity of Mentha spicata L. subsp. spicata and M. longifolia (L.) L. subsp. typhoides (Briq.) Harley Decoction and Infusion

    OpenAIRE

    ÖZER, Züleyha

    2018-01-01

    In present study, we report phenolic compounds and antioxidant activity of decoctionand infusion of Mentha spicata L. subsp. spicataand M. longifolia (L.) L. subsp. typhoides (Briq.) Harley. The quantitativeamounts of the phenolic contents were determined by LC-MS/MS.  The main compounds and amounts of M. spicata weredetermined as follow for decoction; caffeic acid, quercetagetin-3,6-dimethyletherand penduletin (4126.6; 2141.5; 1472.7 mg/kg dried herba, respectively), for infusion;fumaric aci...

  14. Water data: bad TPC pads, 3.6 µs and 100 ns problems

    CERN Document Server

    Dydak, F; Nefedov, Y; Wotschack, J; Zhemchugov, A

    2004-01-01

    Out of the 3972 pads of the HARP TPC, about 9% are 'bad' and not useful for the correct reconstruction of clusters. Bad pads comprise dead pads, noisy pads, and pads with low or undefined amplification. Pads may be bad at one time, but not at another. This memo discusses the sources of information which were used to declare a pad 'bad', and gives the list of bad pads for the water data (runs 19146 to 19301). Also, the 3.6 µs and 100 ns problems of the TPC readout are discussed, including the corrective measures which have been taken.

  15. 5-(4-Cyano-5-dicyanomethylene-2,2-dimethyl-2,5-dihydro-3-furyl-3-(1-methyl-1,4-dihydropyridin-4-ylidenepent-4-enyl 3,5-bis(benzyloxybenzoate acetonitrile 0.25-solvate: a synchrotron radiation study

    Directory of Open Access Journals (Sweden)

    Andrew J. Kay

    2009-12-01

    Full Text Available The title compound, C42H36N4O5·0.25CH3CN, crystallizes with a partial twofold disordered (1/4 acetonitrile solvent of crystallization. The linking atoms to the 3,5-bis(benzyloxybenzoic acid are disordered between two conformations in the ratio 0.780 (6:0.220 (6. In the crystal, the molecules pack using mainly C—H...N(cyano interactions coupled with weak C—H...O(ether interactions and C—H...π interactions. A brief comparison is made between a conventional and this synchrotron data collection.

  16. (S-6-Methyl-∊-caprolactone

    Directory of Open Access Journals (Sweden)

    Anthony L. Spek

    2008-03-01

    Full Text Available The chiral title compound, C7H12O2, a lactone derivative, features a seven-membered ring that adopts a chair conformation. The crystal structure is stabilized by weak C—H...O interactions occurring in the (100 plane. The absolute configuration was assigned on the basis of the enantioselective synthesis.

  17. Valence, magnetism and conduction in the intermediate valence compounds: the case SmB6

    International Nuclear Information System (INIS)

    Derr, J.

    2006-09-01

    In some rare earth based compounds, the 4f level is situated so close to the Fermi level that the valence of the compound can become intermediate between two integer values. The so called 'intermediate valence' compound of Samarium hexaboride (SmB 6 ) is one typical example of the exciting physics which can result from this quantum equilibrium between two valence configurations. The first configuration (Sm 2+ ) corresponds to an insulating and non magnetic state whereas the second one (Sm 3+ ) would theoretically give a magnetic and metallic ground state. This dissertation deals with the influence of pressure on this equilibrium. Specific heat measurements under pressure evidenced a new long range magnetic ordering for pressures higher than p c ∼ 10 GPa. On another hand, transport measurements measured for the first time in good conditions of hydrostatics found a reliable and reproducible critical pressure for the insulator to metal transition equal to p c . The phase diagram of SmB 6 is now well known and the observation for the first time of a magnetic anomaly in the high pressure resistivity curves certifies that the onset of the magnetic phase really coincide with the closure of the gap. This change at the critical pressure p c is discussed in a general frame taking into account the Kondo lattice temperature as a key parameter for the renormalization of the wavefunction from one integer configuration to the other whereas the valence itself is still intermediate. This general idea seems to be valid also for other systems studied in this dissertation like SmS or TmSe and could even be valid for more general cases (Ytterbium, Cerium). In the same time, resistivity measurements under uniaxial stress were undertaken. The result is a strong anisotropy effect observed on the pressure dependence of the residual resistivity in the compound SmB 6 . The comparison with the transport under hydrostatic conditions enables us to consider a new idea for the nature of the gap

  18. Ax(H3O)2-xMn5(HPO3)6 (A = Li, Na, K and NH4): open-framework manganese(ii) phosphites templated by mixed cationic species.

    Science.gov (United States)

    Orive, Joseba; Fernández de Luis, Roberto; Fernández, Jesús Rodríguez; Lezama, Luis; Arriortua, María I

    2016-07-26

    Ax(H3O)2-xMn5(HPO3)6 (A = Li, x = 0.55 (1-Li); A = Na, x = 0.72 (2-Na); A = K, x = 0.30 (3-K); A = NH4, x = 0.59 (4-NH4)) phases were synthesized by employing mild hydrothermal conditions. 1-Li was studied by single crystal X-ray diffraction, while sodium, potassium and ammonium containing analogues were obtained as polycrystalline samples and characterized by powder X-ray diffraction. The four compounds were characterized by ICP-Q-MS, thermal analysis and XPS, IR, UV/Vis and EPR spectroscopy. Single crystal data indicate that 1-Li crystallizes in the P3[combining macron]c1 space group with lattice parameters a = 10.3764(1) Å and c = 9.4017(1) Å with Z = 2. The crystal structure of these phases is constituted by a three-dimensional [Mn(ii)5(HPO3)6](2-) anionic skeleton templated by alkali metal and ammonium cations together with protonated water molecules. Such an inorganic framework is formed by layers of edge-sharing MnO6 octahedra placed in the ab plane and joined along the c direction through phosphite pseudotetrahedra. The sheets display 12-membered ring channels parallel to the c-axis, ca. 5 Å in diameter, where the extraframework species display a strong disorder. EPR measurements point to the existence of short range ferromagnetic interactions around 12 K. Magnetic susceptibility and heat capacity measurements show that all the compounds exhibit long range antiferromagnetic order below circa 4 K, with a significant magnetocaloric effect around the Neel temperature.

  19. Inhibitory effect of Sphagnum palustre extract and its bioactive compounds on aromatase activity

    Directory of Open Access Journals (Sweden)

    Hee Jeong Eom

    2016-09-01

    Full Text Available Sphagnum palustre (a moss has been traditionally used in Korea for the cure of several diseases such as cardiac pain and stroke. In this research, the inhibitory effect of S. palustre on aromatase (cytochrome P450 19, CYP19 activity was studied. [1β-3H] androstenedione was used as a substrate and incubated with S. palustre extract and recombinant human CYP19 in the presence of NADPH. S. palustre extract inhibited aromatase in a concentration-dependent manner (IC50 value: 36.4 ± 8.1 µg/mL. To elucidate the major compounds responsible for the aromatase inhibitory effects of S. palustre extract, nine compounds were isolated from the extract and tested for their inhibition of aromatase activity. Compounds 1, 6, and 7 displayed aromatase inhibition, while the inhibition by the other compounds was negligible.

  20. Synthesis of some glycoside analogs and related compounds from 9-amino-6-(methylthio)-9H-purine.

    Science.gov (United States)

    Temple, C; Kussner, C L; Montgomery, J A

    1975-12-01

    Additional information on the anticancer activity of 9-amino-9H-purine-6(1H)-thione and its derivatives was sought by the synthesis of some 9-(substituted amino)-6-(methylthio)-9H-purines in which the 9-substituent contained functional groups capable of either reversible or irreversible binding with an enzymatic site. Condensation of 9-amino-6-(methylthio)-9H-purine (1) with some carbonyl compounds followed by hydride reduction of the azomethine linkage in the intermediates leads to the 2-pyrrolylmethyl (8), 2,3,4-trihydroxybutyl (10), and the 1,5-dihydroxy-2- and 3-pentyl (11 and 12) compounds. A 4-hydroxybutyl derivative (13) was obtained by alkylation of 18, the 9-acetyl derivative of 1, with 4-chlorobutyl acetate followed by saponification. The cyclization of 13 and 11 with a sulfonyl chloride gave the 9-pyrrolidin-1-yl (27) and the 9-[2-(tosyloxymethyl)pyrrolidin-1-yl] (28), respectively. Acylation of 1 with ethyl L-2-pyrrolidine-5-carboxylate and ethyl 1-methyl-5-pyrrolidone-3-carboxylate, respectively, in Me2SO containing NaH gave the corresponding amides 15 and 17. Alkylation of 18 with 1-bromo-2-chloroethane and epichlorohydrin gave the N-(2-chloroethyl) and N-(1,2-epoxy-3-propyl) derivatives 19 and 20. The chloro group of the chlorobutyl derivative of 18 was displaced with KSCN and NaN3, respectively, to give the thiocyanate and azido derivatives 23 and 24. Hydrogenation of the latter gave the amine (25), which was acylated with ethyl chloroformate to give the (ethoxycarbonyl)amino compound 26. None of these compounds showed activity against L1210 leukemia cells implanted ip in mice on a single-dose schedule, suggesting that the activity observed in the simpler 9-aminopurines resulted from cleavage of the hydrazino linkage to give pH-purine-6(1H)-thione.

  1. (E-4-Chloro-N-(2,4,6-trimethylbenzylideneaniline

    Directory of Open Access Journals (Sweden)

    Ying Guo

    2011-08-01

    Full Text Available In the title compound, C16H16ClN, the dihedral angle between the benzene rings is 24.61 (13°. In the crystal, only van der Waals interactions occur between neighbouring molecules.

  2. National Ignition Facility Title II Design Plan

    International Nuclear Information System (INIS)

    Kumpan, S

    1997-01-01

    This National Ignition Facility (NIF) Title II Design Plan defines the work to be performed by the NIF Project Team between November 1996, when the U.S. Department of Energy (DOE) reviewed Title I design and authorized the initiation of Title H design and specific long-lead procurements, and September 1998, when Title 11 design will be completed

  3. Are Shorter Article Titles More Attractive for Citations? Cross-sectional Study of 22 Scientific Journals

    Science.gov (United States)

    Habibzadeh, Farrokh; Yadollahie, Mahboobeh

    2010-01-01

    Aim To investigate the correlation between the length of the title of a scientific article and the number of citations it receives, in view of the common editorial call for shorter titles. Methods Title and the number of citations to all articles published in 2005 in 22 arbitrarily chosen English-language journals (n = 9031) were retrieved from citation database Scopus. The 2008 journal impact factors of these 22 journals were also retrieved from Thomson Reuters’ Journal Citation Report (JCR). Assuming the article title length as the independent variable, and the number of citations to the article as the dependent variable, a linear regression model was applied. Results The slope of the regression line for some journals (n = 6, when titles were measured in characters but 7 when titles were measured in words) was negative – none was significantly different from 0. The overall slope for all journals was 0.140 (when titles were measured in characters) and 0.778 (when titles were measured in words), significantly different from 0 (P articles with longer titles received more citations – Spearman ρ = 0.266 – when titles were measured in characters, and ρ = 0.244 when titles were measured in words (P 10 and for 2 out of 14 journals with impact factor <10 (P < 0.001, Fisher exact test). Conclusion Longer titles seem to be associated with higher citation rates. This association is more pronounced for journals with high impact factors. Editors who insist on brief and concise titles should perhaps update the guidelines for authors of their journals and have more flexibility regarding the length of the title. PMID:20401960

  4. An infrared study of the nitro—nitrito linkage isomerization in solid nitro- and nitritopentamminecobalt(III) chloride

    Science.gov (United States)

    Heyns, A. M.; de Waal, D.

    1989-01-01

    The photochemical isomerization reaction of [Co(NH 3) 5NO 2]Cl 2 to [Co(NH 3) 5ONO]Cl 2 has been studied in the solid state by means of i.r. spectroscopy. The reaction is first order with k = 2.53±0.05 × 10 -4s -1 and is much faster ( t1/2=49min) than the well-known spontaneous nitrito → nitro isomerization ( t1/2 = 6 days). The i.r. bands of both the NH 3 and ONO - -groups in the range 4000-50 cm -1 indicate minor differences between the structures of freshly and photochemically prepared [Co(NH 3) 5ONO]Cl 2. The far i.r. spectra indicate the disorder existing in the intermediate products during the isomerization processes.

  5. 24 CFR 202.12 - Title II.

    Science.gov (United States)

    2010-04-01

    ... INSTITUTIONS AND MORTGAGEES Title I and Title II Specific Requirements § 202.12 Title II. (a) Tiered pricing—(1... rate up to two percentage points under the mortgagee's customary lending practices must be based on... after accounting for the value of servicing rights generated by making the loan and other income to the...

  6. Synthesis and Biological Activity of 3-(2-Furanyl-6-Aryl-1,2,4-Triazolo[3,4-b]-1,3,4 –Thiadiazoles

    Directory of Open Access Journals (Sweden)

    Zi-Yi Zhang

    2002-08-01

    Full Text Available 3-(2-Furanyl-4-amino-5-mercapto-1,2,4-triazole (1 was prepared from 2-furoic acid through a multi-step reaction sequence. Compound 1 reacted with aromatic acids in the presence of phosphorus oxychloride to give 3-(2-furanyl-6-aryl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles (2. The structures of all the newly synthesized compounds have been confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR and mass spectra. The bioassay indicated most of the title compounds possess significant growth promoting effects on mung bean radicles.

  7. INIS: Authority list for journal titles

    International Nuclear Information System (INIS)

    2007-01-01

    This is the 33rd revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13 396 journal titles, 2 170 regularly scanned journals and 578 key journals. It was last updated in February 2007. A journal - or periodical - is a continuing publication issued in a succession of discrete parts, usually bearing numbering and/or chronological designations and intended to be continued indefinitely. It is generally published within a defined, fixed interval between issues and normally appears more than once per year. It includes a mixture of articles, letters, summaries, etc. Within this definition, annuals such as the Annual Review of Nuclear Science are included, but series titles such as the McGraw-Hill Series in Nuclear Engineering are not. The purpose of this document is to provide descriptive cataloguers with standard elements to include in bibliographic level 'S' of the INIS record. These elements include field (tag) 229 (Full Journal Title), 320 (ISSN) and 321 (CODEN). The full journal title is mandatory, and either the ISSN or the CODEN must be included (both may appear). Instructions on how to use this and other elements of the INIS record format are found in INIS: Guide to Bibliographic Description (IAEA-INIS-1). In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: - In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. - In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. - In Part III, all journals that are regularly scanned by

  8. Maternal mental health and childrearing context in the development of children at 6, 18 and 36 months: a Taiwan birth cohort pilot study.

    Science.gov (United States)

    Lung, F-W; Shu, B-C; Chiang, T-L; Lin, S-J

    2011-03-01

    This study investigated a possible pathway of the childrearing context and maternal mental health at 6 months, and how these factors influence children's development at 6, 18 and 36 months. Using random sampling, 2048 children and mothers were selected. The mother's health status was evaluated using the Taiwanese version of the 36-Item Short Form Health Survey (SF-36), and infant development was assessed using the high reliable Taiwan birth cohort study instrument. All data were collected using parental self-report, and were analysed using multiple linear regression analysis and further pathway using structural equation modelling. This study showed that 12 factors effected children's development at 6 months, and some dissipated with growth. Of these, maternal education had an enduring effect on different domains of child development, and this effect intensified as the child grew older. Children who grew up in a family with more siblings would show a delay in language development at 6 months; they have a delay in motor and social development at 18 and 36 months. Additionally, maternal mental health effected the children's fine motor development at 6 months. However, this effect disappeared at 18 months, and influenced children's social development at 36 months. This study demonstrated that the development of children at as young as 6 months is affected by various factors. These factors may dissipate, continue to influence child development up to 3 years of age, turn from being disadvantageous to beneficial, or affect different domains of child development. Also, parental self-report instrument might be has its limitation and could be contributed by several confounding factors. Thus, continuous longitudinal follow-up on changes in maternal conditions, family factors, and environmental factors is vital to understand how these early infantile factors affect each other and influence the developmental trajectories of children into early childhood. © 2010 Blackwell

  9. Vitamin C, Phenolic Compounds and Antioxidant Capacity of Broccoli Florets Grown under Different Nitrogen Treatments Combined with Selenium

    Directory of Open Access Journals (Sweden)

    Peñas Elena

    2018-06-01

    Full Text Available Broccoli consumption is rising worldwide and fertilization is a tool to increase its production. However, little is known about the effect of mineral supplementation to the soil on the bioactive compounds. Therefore, the aim of this investigation was to analyze the content of vitamin C, total phenolic compounds and the antioxidant capacity of broccoli florets cultivated under different nitrogen (N conditions in combination with selenium (IV and VI. Greenhouse experiments were conducted in broccoli grown in commercial soil treated with different N sources [(NH42SO4, NaNO3, NH4NO3 or CO(NH22 at 160 kg N/ha]. In addition, selenium (Se salts [Na2SeO3 (Se IV or Na2SeO4 (Se VI at 10 and 20 kg Se/ha] were applied. There were no evidences of the influence of N treatment on vitamin C content whilst Se (IV or VI uptake led to a significant reduction of this vitamin in broccoli florets, irrespective of the N source. In contrast, total phenolics content and antioxidant capacity underwent a significant increment under N application. However, their combination with Se salts modified total phenolic content and antioxidant capacities in broccoli florets depending on N source and Se doses. Among all the experimental trials, application of NH4NO3 combined with 10 g Se (IV/ha was the elective treatment strategy to produce broccoli florets with higher content of phenolic compounds and antioxidant capacity and, therefore, enhanced functionality.

  10. Modification of Ti6Al4V surface by diazonium compounds

    Science.gov (United States)

    Sandomierski, Mariusz; Buchwald, Tomasz; Strzemiecka, Beata; Voelkel, Adam

    2018-02-01

    Ti6Al4V alloy is the most commonly used in orthopedic industry as an endoprosthesis. Ti6Al4V exhibits good mechanical properties, except the abrasion resistance. Surface modification of Ti6Al4V in order to obtain organic layer, and then the attachment of the polymer, can allow for overcoming this problem. The aim of the work was the modification of Ti6Al4V surface by diazonium compounds: salt or cation generated in situ and examine the influence of the reducing agent - ascorbic acid, and the temperature of reaction on modification process. Moreover, the simulated body fluid was used for the assessment of the organic layer stability on Ti6Al4V surface. The evaluation of the modification was carried out using the following methods: Raman microspectroscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. Higher temperature of modification by 4-hydroxymethylbenzenediazonium cation, provides the largest amount of organic layer on the Ti6Al4V alloy. In the case of the Ti6Al4V modified by Variamine Blue B salt, the amount of organic layer is not dependent on the reaction condition. Moreover, the ascorbic acid and the presence of TiO2 does not effect on the modification. The modified surface is completely coated with the organic layer which is stable in simulated body fluid.

  11. rac-(1S,6S)-Methyl 6-methyl-2-oxobicyclo[4.1.0]heptane-1-carboxylate

    DEFF Research Database (Denmark)

    Juhl, Martin; Søtofte, Inger

    2007-01-01

    The crystal structure of the title compound, C10H14O3, was investigated as part of a study of the chemistry of nucleophilic 1,4-additions to highly electrophilic C=C double bonds. The cyclohexane ring adopts a half-chair conformation. The crystal packing is stabilized by van der Waals forces....

  12. 20 CFR 416.573 - How much will we withhold from your title II and title VIII benefits to recover a title XVI...

    Science.gov (United States)

    2010-04-01

    ... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false How much will we withhold from your title II... Payment of Benefits, Overpayments, and Underpayments § 416.573 How much will we withhold from your title...-due benefits. (b)(1) We will collect the overpayment from current monthly benefits due in a month by...

  13. 2,3-Diamino-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate.

    Science.gov (United States)

    Foroughian, Mahsa; Foroumadi, Alireza; Notash, Behrouz; Bruno, Giuseppe; Amiri Rudbari, Hadi; Aghabozorg, Hossein

    2011-12-01

    The asymmetric unit of the title proton-transfer compound, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (-), consists of one mono-deprotonated pyridine-2,6-dicarb-oxy-lic acid as anion and one protonated 2,3-diamino-pyridine as cation. The crystal packing shows extensive O-H⋯O, N-H⋯O and N-H⋯N hydrogen bonds. Thre are also several π-π inter-actions between the anions and also between the cations [centriod-centroid distances = 3.6634 (7), 3.7269 (7), 3.6705 (7) and 3.4164 (7) Å].

  14. (Z-Ethyl 3-(4-chlorophenyl-2-cyano-3-(2,6-difluorobenzamidoacrylate

    Directory of Open Access Journals (Sweden)

    Zhang Xiaoyan

    2008-12-01

    Full Text Available The title compound, C19H13ClF2N2O3, was prepared by the reaction of (Z-ethyl 3-amino-3-(4-chlorophenyl-2-cyanoacrylate and 2,6-difluorobenzoyl chloride. The dihedral angle between the chlorobenzene and fluorobenzene rings is 37.0 (1°. The ethyl group is disordered over two positions [occupancies = 0.52 (2:0.48 (2]. In addition to intramolecular N—H...O and N—H...F hydrogen bonds, the crystal packing shows the molecules to be connected by intermolecular C—H...O and C—H...N hydrogen bonds.

  15. Synthesis of Novel Heterocyclic Compounds Incorporate 4,5,6,7-Tetrahydrobenzo[b]thiophene Together with Their Cytotoxic Evaluations.

    Science.gov (United States)

    Abdallah, Amira Elsayed Mahmoud; Mohareb, Rafat Milad; Khalil, Eid Metwally; Elshamy, Menna Alla Mohamed Abd Elaleem

    2017-01-01

    The 2-amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene was the key starting compound used to synthesize new thiazole, pyrimidine, pyran, pyridine and thiazine derivatives. The cytotoxicity of the synthesized compounds was studied towards the three cancer cell lines namely MCF-7 (breast adenocarcinoma), NCI-H460 (non-small cell lung cancer) and SF-268 (central nervous system (CNS) cancer) in addition to the normal cell line (WI-38) using doxorubicin as the reference drug. The study showed that compounds 5, 9a, 15b, 17c, 18 and 21b were the most potent compounds.

  16. 5-Bromo-N3-[(E-(6-bromopyridin-2-ylmethylidene]pyridine-3,4-diamine

    Directory of Open Access Journals (Sweden)

    Mingjian Cai

    2011-12-01

    Full Text Available The title compound, C11H8Br2N4, is a Schiff base obtained from 6-bromopicolinaldehyde and 5-bromopyridine-3,4-diamine. The molecule has an E configuration about the C=N bond and the dihedral angle between the two pyridine rings is 14.02 (1°. The observed conformation is stabilised by an intramolecular N—H...N hydrogen bond. In the crystal, molecules are stacked along the b axis and are linked through N—H...N hydrogen bonds into chains along the c axis.

  17. Anti-inflammatory activity of different agave plants and the compound cantalasaponin-1.

    Science.gov (United States)

    Monterrosas-Brisson, Nayeli; Ocampo, Martha L Arenas; Jiménez-Ferrer, Enrique; Jiménez-Aparicio, Antonio R; Zamilpa, Alejandro; Gonzalez-Cortazar, Manases; Tortoriello, Jaime; Herrera-Ruiz, Maribel

    2013-07-10

    Species of the agave genus, such as Agave tequilana, Agave angustifolia and Agave americana are used in Mexican traditional medicine to treat inflammation-associated conditions. These plants' leaves contain saponin compounds which show anti-inflammatory properties in different models. The goal of this investigation was to evaluate the anti-inflammatory capacity of these plants, identify which is the most active, and isolate the active compound by a bio-directed fractionation using the ear edema induced in mice with 12-O-tetradecanoylphorbol-13-acetate (TPA) technique. A dose of 6 mg/ear of acetone extract from the three agave species induced anti-inflammatory effects, however, the one from A. americana proved to be the most active. Different fractions of this species showed biological activity. Finally the F5 fraction at 2.0 mg/ear induced an inhibition of 85.6%. We identified one compound in this fraction as (25R)-5α-spirostan-3β,6α,23α-triol-3,6-di-O-β-D-glucopyranoside (cantalasaponin-1) through 1H- and 13C-NMR spectral analysis and two dimensional experiments like DEPT NMR, COSY, HSQC and HMBC. This steroidal glycoside showed a dose dependent effect of up to 90% of ear edema inhibition at the highest dose of 1.5 mg/ear.

  18. Compound cast product and method for producing a compound cast product

    Science.gov (United States)

    Meyer, Thomas N.; Viswanathan, Srinath

    2002-09-17

    A compound cast product is formed in a casting mold (14) having a mold cavity (16) sized and shaped to form the cast product. A plurality of injectors (24) is supported from a bottom side (26) of the casting mold (14). The injectors (24) are in fluid communication with the mold cavity (16) through the bottom side (26) of the casting mold (14). A molten material holder furnace (12) is located beneath the casting mold (14). The holder furnace (12) defines molten material receiving chambers (36) configured to separately contain supplies of two different molten materials (37, 38). The holder furnace (12) is positioned such that the injectors (24) extend downward into the receiving chamber (36). The receiving chamber (36) is separated into at least two different flow circuits (51, 52). A first molten material (37) is received in a first flow circuit (51), and a second molten material (38) is received into a second flow circuit (52). The first and second molten materials (37, 38) are injected into the mold cavity (16) by the injectors (24) acting against the force of gravity. The injectors (24) are positioned such that the first and second molten materials (37, 38) are injected into different areas of the mold cavity (16). The molten materials (37, 38) are allowed to solidify and the resulting compound cast product is removed from the mold cavity (16).

  19. Study on Leucaena leocochepala seed during fermentation : sensory characteristic and changes on anti nutritional compounds and mimosine level

    Science.gov (United States)

    Nursiwi, A.; Ishartani, D.; Sari, AM; Nisyah, K.

    2018-01-01

    Lamtoro (Leucaena leucocephala) seed is one of the leguminosae which have high level of protein but it contains toxic compound such as mimosine and some anti nutritional compounds such as phitic acid and tannin. The objectives of the research was to investigate the sensory characteristic and the changes onanti nutritional compounds and mimosine level in Leucaena leucochepala seed during fermentation. Lamtoro tempeh processing was carried out by boiling the seed, crushing to separate the hull, soaking, boiling, and fermentation. The best concentration inoculum in lamtoro tempeh processing was determined by hedonic test. Fermentation was carried out in 36 hours and every 6 hours mimosine, tannin, and phitic acid content was analyzed. From hedonic test, inoculum concentration of 1% was used in lamtoro tempeh processing. During 36 hours fermentation, phytic acid content and mimosine content was decreased significantly, from 0.0558 % to 0.0453 % and from 0.00393 % to 0.00173 % respectively. Whereas tannin content was increased signifacantly, from 0.0822 % to 0.00173 %.

  20. [Novel CHST6 compound heterozygous mutations cause macular corneal dystrophy in a Chinese family].

    Science.gov (United States)

    Qi, Yan-hua; Dang, Xiu-hong; Su, Hong; Zhou, Nan; Liang, Ting; Wang, Zheng; Huang, Shang-zhi

    2010-02-01

    The aim of this study was to identify mutations of CHST6 gene in a Chinese family with macular corneal dystrophy (MCD) and to investigate the histopathological changes of MCD. Corneal button of the proband was obtained from penetrating keratoplasty for the treatment of severe corneal dystrophy. The sections and ultrathin sections of this specimen were examined under light microscope and transmission electron microscope (TEM). Genomic DNA was extracted from leukocytes in peripheral blood from the family members. The coding region of CHST6 was amplified by polymerase chain reaction (PCR). The PCR products were analyzed by direct sequencing and restriction enzyme digestion. Histochemical study revealed positive results of colloidal iron stain. TEM revealed enlargement of smooth endoplasmic reticulum and the presence of intracytoplasmic vacuoles. Two mutations, Q298X Y358H, were identified in exon 3 of CHST6. Three patients were compound heterozygotes of these two mutations. The C892T transversion occurred at codon 298 turned the codon of glutamine to a stop codon; the T1072C transversion occurred at codon 358 caused a missense mutation, tyrosine to histidine. All six unaffected family members were heterozygotes. These two mutations were not detected in any of the 100 control subjects. The novel compound heterozygous mutation results in loss of CHST6 function and causes the occurrence of MCD. This is the first report of this gene mutation.

  1. INIS: Authority list for journal titles

    International Nuclear Information System (INIS)

    2008-01-01

    This is the 34th revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13 538 journal titles, 2 106 regularly scanned journals and 613 key journals. It was last updated in February 2008. A journal - or periodical - is a continuing publication issued in a succession of discrete parts, usually bearing numbering and/or chronological designations and intended to be continued indefinitely. It is generally published within a defined, fixed interval between issues and normally appears more than once per year. It includes a mixture of articles, letters, summaries, etc. Within this definition, annuals such as the Annual Review of Nuclear Science are included, but series titles such as the McGraw-Hill Series in Nuclear Engineering are not. The purpose of this document is to provide descriptive cataloguers with standard elements to include in bibliographic level 'S' of the INIS record. These elements include field (tag) 229 (Full Journal Title), 320 (ISSN) and 321 (CODEN). The full journal title is mandatory, and either the ISSN or the CODEN must be included (both may appear). Instructions on how to use this and other elements of the INIS record format are found in INIS: Guide to Bibliographic Description (IAEA-INIS-1). In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: - In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. - In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. - In Part III, all journals that are regularly scanned by

  2. 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.

  3. Methyl 2-({6-[(1-methoxy-2-methyl-1-oxopropan-2-ylcarbamoyl]pyridin-2-yl}formamido-2-methylpropanoate

    Directory of Open Access Journals (Sweden)

    Abdel-Galil E. Amr

    2012-05-01

    Full Text Available In the title compound, C17H23N3O6, the two methoxycarbonyl C—O—C=O planes are inclined at dihedral angles of 5.3 (4 and 83.9 (4° with respect to the central pyridine ring. An intramolecular N—H...O hydrogen bond generates an S(5 ring motif. In the crystal, molecules are linked into a chain along the c axis via C—H...O hydrogen bonds.

  4. 2-Ethyl-6-(2-pyridyl-5,6,6a,11b-tetrahydro-7H-indeno[2,1-c]quinoline

    Directory of Open Access Journals (Sweden)

    Alexander Briceño

    2010-03-01

    Full Text Available The title compound, C23H22N2, was obtained using the three-component imino Diels–Alder reaction via a one-pot condensation between anilines, α-pyridinecarboxyaldehyde and indene using BF3·OEt2 as the catalyst. The molecular structure reveals the cis-form as the unique diastereoisomer. The crystal structure comprises one-dimensional zigzag ribbons connected via N—H...N hydrogen bonds. C—H...π interactions also occur.

  5. meso-4,4′-Dimethoxy-2,2′-{[(3aR,7aS-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole-1,3-diyl]bis(methylene}diphenol

    Directory of Open Access Journals (Sweden)

    Augusto Rivera

    2013-07-01

    Full Text Available The title compound, C23H30N2O4, a di-Mannich base derived from 4-methoxyphenol and cis-1,2-diaminecyclohexane, has a perhydrobenzimidazolidine nucleus, in which the cyclohexane ring adopts a chair conformation and the heterocyclic ring has a half-chair conformation with a C—N—C—C torsion angles of −48.14 (15 and −14.57 (16°. The mean plane of the heterocycle makes dihedral angles of 86.29 (6 and 78.92 (6° with the pendant benzene rings. The molecular structure of the title compound shows the presence of two interactions between the N atoms of the imidazolidine ring and the hydroxyl groups through intramolecular O—H...N hydrogen bonds with graph-set motif S(6. The unobserved lone pairs of the N atoms are presumed to be disposed in a syn conformation, being only the second example of an exception to the typical `rabbit-ears' effect in 1,2-diamines.

  6. Utilization and Costs of Compounded Medications for Commercially Insured Patients, 2012-2013.

    Science.gov (United States)

    McPherson, Timothy; Fontane, Patrick; Iyengar, Reethi; Henderson, Rochelle

    2016-02-01

    Although compounding has a long-standing tradition in clinical practice, insurers and pharmacy benefit managers have instituted policies to decrease claims for compounded medications, citing questions about their safety, efficacy, high costs, and lack of FDA approval. There are no reliable published data on the extent of compounding by community pharmacists nor on the fraction of patients who use compounded medications. Prior research suggests that compounded medications represent a relatively small proportion of prescription medications, but those surveys were limited by small sample sizes, subjective data collection methods, and low response rates. To determine the number of claims for compounded medications on a per user per year (PUPY) basis and the average ingredient cost of these claims among commercially insured patients in the United States for 2012 and 2013. This study used prescription claims data from a nationally representative sample of commercially insured members whose pharmacy benefits were managed by a large pharmacy benefit management company. A retrospective claims analysis was conducted from January 1, 2012, through December 31, 2013. Annualized prevalence, cost, and utilization estimates were drawn from the data. All prescription claims were adjusted to 30-day equivalents. Data-mining techniques (association rule mining) were employed in order to identify the most commonly combined ingredients in compounded medications. The prevalence of compound users was 1.1% (245,285) of eligible members in 2012 and 1.4% (323,501) in 2013, an increase of 27.3%. Approximately 66% of compound users were female, and the average age of a compound user was approximately 42 years throughout the study period. The geographic distribution of compound user prevalence was consistent across the United States. Compound users' prescription claims increased 36.6% from 2012 to 2013, from approximately 7.1 million to approximately 9.7 million prescriptions. The number of

  7. Browse Title Index

    African Journals Online (AJOL)

    Items 651 - 700 of 846 ... Vol 9, No 4S (2017): Special Issue, Spectrum aware fuzzy ... Vol 9, No 6S (2017), Stability properties of asphalt mixture incorporating coconut shell, Abstract PDF ... Statistical analysis of agarwood oil compounds in discriminating the ... oil extraction system using Fuzzy-Fopi controller, Abstract PDF.

  8. Browse Title Index

    African Journals Online (AJOL)

    Items 101 - 130 of 130 ... Vol 6, No 2 (2016), Uses of systemic approach and chemist's triangle in teaching and learning chemistry: Systemic Chemistry Triangle [SCT] as a teaching & learning strategy, Abstract PDF. A.F.M. Fahmy. Vol 3, No 2 (2013), Using stereochemistry models in teaching organic compounds nomenclature: ...

  9. Four new compounds isolated from Psoralea corylifolia and their diacylglycerol acyltransferase (DGAT) inhibitory activity.

    Science.gov (United States)

    Lin, Xin; Li, Ban-Ban; Zhang, Le; Li, Hao-Ze; Meng, Xiao; Jiang, Yi-Yu; Lee, Hyun-Sun; Cui, Long

    2018-05-14

    A new bakuchiol compound Δ 11 -12-hydroxy-12-dimethyl bakuchiol (1), a new flavanone compound 2(S)-6-methoxy-7- hydroxymethylene-4'-hydroxyl-flavanone (8), and two new isoflavanone compounds 4',7-dihydroxy-3'-(6"β-hydroxy-3″,7″-dimethyl-,2″,7″-dibutenyl)-geranylisoflavone (9) and 4',7-dihydroxy-3'-(7″-hydroxy-7″-methyl-2″,5″-dibutenyl)-geranylisoflavone (10) together with eight known compounds (2-7, 11, 12) were isolated from the P. corylifolia. Their structures were elucidated on the basis of spectroscopic and physico-chemical analyses. All the isolates were evaluated for in vitro inhibitory activity against DGAT1/2. Among them, compounds 3, 9 and 10 were found to exhibit selective inhibitory activity on DGAT1 with IC 50 values ranging from 93.7 ± 1.3 to 96.2 ± 1.1 μM. Compound 1 showed inhibition activity on DGAT1 with IC 50 values 73.4 ± 1.3 μM and inhibition of DGAT2 with IC 50 value 121.1 ± 1.3 μM. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Land Titles and Rice Production in Vietnam

    DEFF Research Database (Denmark)

    Van Den Broeck, Katleen; Newman, Carol; Tarp, Finn

    In most of the empirical literature on land titling, the household is regarded as unitary, and land rights are found to have ambiguous effects on land allocation, investment and productivity. Using data from 12 provinces in Vietnam, we diversify land titles, and show in a household fixed effects...... analysis of plot level rice yields that land titles are indeed important. Only exclusively held titles have the expected positive effects, and the positive effect on yields is found in male headed households. Furthermore, a household level rice yield function reveals that exclusive user rights...... are inefficiency decreasing, while jointly held user rights have no efficiency effects. Finally, once the gender of the head of household is controlled for, exclusively held female titles have a greater positive effect on the efficiency of the household than that of male held titles...

  11. Isolation, purification, and characterization of antimicrobial compound 6-[1,2-dimethyl-6-(2-methyl-allyloxy)-hexyl]-3-(2-methoxy-phenyl)-chromen-4-one from Penicillium sp. HT-28.

    Science.gov (United States)

    Kaur, Harpreet; Arora, Daljit Singh; Sharma, Vishal

    2014-08-01

    A fungal culture (Penicillium sp., HT-28), isolated from soil has been evaluated for its bioactivity, which showed broad spectrum antimicrobial activity and was effective against methicillin-resistant Staphylococcus aureus (MRSA) also. Statistical optimization of the medium by response surface methodology (RSM) enhanced the antimicrobial activity up to 1.8-fold. Column chromatography was used to isolate the active compound (A), which was characterized to be 6-[1,2-dimethyl-6-(2-methyl-allyloxy)-hexyl]-3-(2-methoxy-phenyl)-chromen-4-one by various spectroscopic techniques such as infrared (IR), (1)H and (13)C nuclear magnetic resonance (NMR) spectra, and mass spectroscopy. Minimum inhibitory concentration (MIC) of the active compound (A) ranged from 0.5 to 15 μg/mL. Viable cell count studies of the active compound (A) showed S. aureus, Escherichia coli, Staphylococcus epidermidis, and Salmonella typhimurium 1 to be the most sensitive. The compound retained its bioactivity after treating it at 100 °C for 1 h. Furthermore, the compound (A) when tested for its biosafety was found neither to be cytotoxic nor mutagenic. The study demonstrated that an apparently novel compound isolated from Penicillium sp. (HT-28) seems to be a stable and potent antimicrobial.

  12. Title list of selected Soviet reports in the fields of nuclear research and nuclear engineering. 6

    International Nuclear Information System (INIS)

    Schumann, G.; Sube, R.

    1979-03-01

    135 titles of reports issued by Soviet institutes (KFTI, EFI, IAE, IFVE, ITEF, NIIAR, NIIEFA, FEI, RI, SFTI) in the fields of nuclear research and nuclear engineering have been arranged according to the INIS subject scope. The reports are available on a loan basis from ZfK Rossendorf, Information Department, Dresden

  13. Theoretical Study on Vibrational Spectra, Detonation Properties and Pyrolysis Mechanism for Cyclic 2-Diazo-4,6-dinitrophenol

    Science.gov (United States)

    Li, Xiao-hong; Yin, Geng-xin; Zhang, Xian-zhou

    2012-10-01

    Based on the full optimized molecular geometrical structures at the DFT-B3LYP/6-311+G** level, there exists intramolecular hydrogen bond interaction for cyclic 2-diazo-4,6-dinitrophenol. The assigned infrared spectrum is obtained and used to compute the thermodynamic properties. The results show that there are four main characteristic regions in the calculated IR spectra of the title compound. The detonation velocities and pressures are also evaluated by using Kamlet-Jacobs equations based on the calculated density and condensed phase heat of formation. Thermal stability and the pyrolysis mechanism of 2-diazo-4,6-dinitrophenol are investigated by calculating the bond dissociation energies at the B3LYP/6-311+G** level.

  14. 3-[4-(Dimethylaminophenyl]-1-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-ylprop-2-en-1-one

    Directory of Open Access Journals (Sweden)

    Moha Berraho

    2011-01-01

    Full Text Available The title compound, C23H31NO, was semisynthesized from isocostic acid, isolated from the aerial part of Inula Viscosa (L Aiton [or Dittrichia Viscosa (L Greuter]. The cyclohexene ring has a half-chair conformation, whereas the cyclohexane ring displays a chair conformation. The dihedral angle between the latter ring and its substituent is 83.6 (7°.

  15. Thermal properties of some cerium compounds, particularly CeB6

    International Nuclear Information System (INIS)

    Peysson, Y.

    1986-09-01

    Using measurements of specific heat between 0.3 to 250K in the absence of a magnetic field, and from 2 to 250K for magnetic fields between 0 and 8T, it is shown that the γ 8 quadruplet is the fundamental level of the Ce 3+ ion, the γ 8-7 separation energy being of the order of 500K. Detailed analysis suggests a lifting of degeneracy of the multiplet γ 8 in the paramagnetic phase, according to usual processes. Specific heat results obtained at very low temperatures reveal the importance of a significant gap in the spin wave energy spectra. Measurements under a strong magnetic field, around the two magnetic phase transitions of CeB6 show a spectacular reinforcement of the specific heat anomaly at a temperature of the order of T Q . Thermal conductivity of CEB6 is also studied in relation to the possible existence of a Jahn-Teller effect, likely to affect heat transfer by phonons. The problem of the different components of thermal transport prompts the analysis of the Weidemann-Franz law in the Kondo net, and also the study of the thermal conductivity of the compounds CeCu6, CeA12, the alloys Ce 0 . 7 5La 0 . 25 B 6 , Ce x La 1-x Cu 6 , and the fluctuating valence system SmB 6 . In all these bodies, an important contribution of phonons to electron transfer is shown. In the dense incoherent Kondo phase, it is not possible to envisage differences from the Weidemann-Franz law greater than those observed for highly diluted Kondo alloys [fr

  16. Neutron diffraction analysis of HRh[P(C6H5)3]4

    International Nuclear Information System (INIS)

    Bau, R.; Stevens, R.C.; McLean, M.; Koetzle, T.F.

    1987-01-01

    We have collected neutron diffraction data on a large single crystal of the title compound. The most surprising result is an extremely short Rh-H distance of 1.31(8) A, presumably caused by steric interactions involving the bulky triphenyl phosphine ligands. Crystallographic details: HRh[P(C 6 H 5 ) 3 ] 4 . 1 / 2 C 6 H 6 crystallizes in the space group Pa3, with a = b = c = 22.776(3) A, Z = 8. Data were collected at the Brookhaven High Flux Beam reactor at a temperature of -23 0 C, λ = 1.15882(7) A -1 . Least-squares refinement (in which the phenyl rings were treated as rigid groups) resulted in an R factor [based on data with f > 4σ(F)] of 0.12 for 914 reflections and 95 parameters. 10 refs

  17. Genotoxic and antigenotoxic properties of selenium compounds in the in vitro micronucleus assay with human whole blood lymphocytes and tk6 lymphoblastoid cells

    Directory of Open Access Journals (Sweden)

    Eduard Cemeli

    2006-01-01

    Full Text Available Selenium is known to possess both genotoxic and antigenotoxic properties. In the present study, we have evaluated the genotoxicity and antigenotoxicity of three selenium compounds (sodium selenate, sodium selenite and selenous acid by measuring in vitro micronucleus induction. Assays were conducted in whole blood lymphocytes and in the TK6 lymphoblastoid cell line, with and without co-treatment with potassium dichromate, a known genotoxic compound. In general, the compounds were more active in TK6 cells than they were in blood lymphocytes. Only 1 μM selenous acid increased the frequency of binucleated cells containing micronuclei (BNMN in blood lymphocytes, while all three selenium compounds increased BNMN in TK6 cells. In addition, combinations of selenous acid and potassium dichromate resulted in lower frequencies of BNMN than potassium dichromate alone in blood lymphocytes, while combinations of sodium selenate and potassium dichromate produced lower frequencies of BNMN than potassium dichromate alone in TK6 cells. The concentrations of selenium compounds that were used, in combination with the medium components and the biological physiology of the whole blood lymphocytes and TK6 cells, could have affected the redox potential of the compounds, switching the chemicals from a pro-oxidant to antioxidant status and vice-versa. The lower activities of the compounds in blood lymphocytes may be due to the protective effects of blood components. The results indicate that the genotoxic and antigenotoxic properties of selenium compounds are highly dependent upon the conditions under which they are evaluated.

  18. Spectroscopy and photophysics of flavin related compounds: Riboflavin and iso-(6,7)-riboflavin

    International Nuclear Information System (INIS)

    Sikorska, Ewa; Khmelinskii, Igor; Komasa, Anna; Koput, Jacek; Ferreira, Luis F.V.; Herance, Jose R.; Bourdelande, Jose L.; Williams, Sian L.; Worrall, David R.; Insinska-Rak, MaIgorzata; Sikorski, Marek

    2005-01-01

    The photochemistry and photophysics of isoalloxazines (10-substituted 2,3,4,10-tetrahydro-benzo[g]pteridine-2,4-diones), and especially flavins (7,8-dimethyl substituted isoalloxazines), are of considerable interest due to the biological relevance of these compounds. In this paper we report data concerning the photophysics of riboflavin and iso-(6,7)-riboflavin (10-(2,3,4,5-tetrahydroxypentyl)-6,7-dimethylbenzo[g]pteridine-2,4(3H,10H) -dione), and correlate the spectroscopic observations with theoretical calculations performed using time-dependent density functional theory. On the basis of these calculations the lowest excited singlet and triplet states are both assigned (π,π*) symmetry, and this result is used to explain the relatively low singlet oxygen quantum yields in comparison with alloxazines. Time-resolved emission studies have indicated 6,7-dimethylalloxazine a photodegradation product of iso-(6,7)-riboflavin

  19. Serendipitous preparation of fac-(acetonitrile-κNtrichlorido[(1,2,5,6-η-cycloocta-1,5-diene]iridium(III

    Directory of Open Access Journals (Sweden)

    David M. Morris

    2015-04-01

    Full Text Available A reaction between [(CODIrCl]2 (COD is cycloocta-1,5-diene, HCl and indene failed to provide the hoped for chloridoindenyliridium dimer, but instead produced the title compound, [IrCl3(CH3CN(C8H12], which is an octahedral complex of iridium(III with a chelating cycloocta-1,5-diene ligand, three chloride ligands in a fac arrangement, and one acetonitrile ligand. Attempts to devise a rational synthesis for the title compound were unsuccessful.

  20. Is a volume of 3.6 mL better than 1.8 mL for inferior alveolar nerve blocks in patients with symptomatic irreversible pulpitis?

    Science.gov (United States)

    Fowler, Sara; Reader, Al

    2013-08-01

    The purpose of this retrospective study was to determine the success of the inferior alveolar nerve (IAN) block using either 3.6 mL or 1.8 mL 2% lidocaine with 1:100,000 epinephrine in patients presenting with symptomatic irreversible pulpitis. As part of 7 previously published studies, 319 emergency patients presenting with symptomatic irreversible pulpitis received either a 1.8-mL volume or 3.6-mL volume of 2% lidocaine with 1:100,000 epinephrine in an IAN block. One hundred ninety patients received a 1.8-mL volume, and 129 received a 3.6-mL volume. Endodontic emergency treatment was completed on each subject. Success was defined as the ability to access and instrument the tooth without pain (visual analog scale score of 0) or mild pain (VAS rating ≤54 mm). Success of the 1.8-mL volume was 28%, and for the 3.6-mL volume it was 39%. There was no statistically significant difference between the 2 volumes. In conclusion, for patients presenting with irreversible pulpitis, success was not significantly different between a 3.6-mL volume and a 1.8-mL volume of 2% lidocaine with 1:100,000 epinephrine. The success rates (28%-39%) with either volume were not high enough to ensure complete pulpal anesthesia. Copyright © 2013 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  1. Molybdenum-95 nuclear magnetic resonance of a series of phosphine and phosphite substituted molybdenum carbonyls Mo(CO)sub(6-n)Lsub(n)(n = 1,2,3,4,5)

    International Nuclear Information System (INIS)

    Jaitner, P.; Wohlgenannt, W.

    1982-01-01

    Molybdenum-95 NMR spectra of a series of phosphine and phosphite substituted molybdenum carbonyls Mo(CO)sub(6-n)Lsub(n)n[L = P(OCH 3 ) 3 n = 1,2,3,4,5, L = P(OC 2 H 5 ) 3 n = 1,2,3, L = P(C 6 H 5 ) 3 n = 1] including isomers (cis, trans, fac, mer) are reported. A large range of chemical shifts is found for the title compounds. The coupling constants 1 J( 95 Mo- 31 P) are derived either from 95 Mo-NMR spectra or 31 P-NMR spectra. Syntheses of the measured compounds were performed by thermal or photochemical ligand sustitution. (Author)

  2. Gluten intake in 6- to 36-month-old Danish infants and children

    DEFF Research Database (Denmark)

    Hoppe, Camilla; Trolle, Ellen; Gondolf, Ulla Holmboe

    2013-01-01

    the intake of gluten from wheat, barley, rye and oats in a cross-sectional National Danish Survey of Dietary Habits among Infants and Young Children (2006–2007). The study population comprised a random sample of 1743 children aged 636 months, recruited from the National Danish Civil Registry. The protein...... contents from wheat, rye, barley and oats were found in the National Danish Food Composition Table, and multiplied with the amounts in the recipes. The amounts of gluten were calculated as the amount of cereal protein × 0·80 for wheat and oats, ×0·65 for rye and ×0·50 for barley. Dietary intake...... was recorded daily for seven consecutive days in pre-coded food records supplemented with open-answer possibilities. Gluten intake increased with age (P

  3. Synthesis of Melamine-d6 and the Feasibility of Deuterium Labeled Compounds as Internal Standard

    Directory of Open Access Journals (Sweden)

    GUO Yang-zhen

    2015-11-01

    Full Text Available S-triazine is an important chemical intermediate. Melamine belongs to s-triazine, which has been widely used as an additive in the food industry. To study the stable isotope labeling method of heterocyclic triazine compounds and its application, one step synthesis of melamine-d6 was achieved with a yield of 30% (calculate in ND4OD, which started from ND4OD by the reaction with cyanuric chloride. According to the exchange mechanism of H/D, the feasibility and the necessary conditions were discussed for applying deuterium labeled compounds in isotope dilution mass spectrometry method.

  4. The Spitzer Survey of Stellar Structure in Galaxies (S4G): Precise Stellar Mass Distributions from Automated Dust Correction at 3.6 μm

    Science.gov (United States)

    Querejeta, Miguel; Meidt, Sharon E.; Schinnerer, Eva; Cisternas, Mauricio; Muñoz-Mateos, Juan Carlos; Sheth, Kartik; Knapen, Johan; van de Ven, Glenn; Norris, Mark A.; Peletier, Reynier; Laurikainen, Eija; Salo, Heikki; Holwerda, Benne W.; Athanassoula, E.; Bosma, Albert; Groves, Brent; Ho, Luis C.; Gadotti, Dimitri A.; Zaritsky, Dennis; Regan, Michael; Hinz, Joannah; Gil de Paz, Armando; Menendez-Delmestre, Karin; Seibert, Mark; Mizusawa, Trisha; Kim, Taehyun; Erroz-Ferrer, Santiago; Laine, Jarkko; Comerón, Sébastien

    2015-07-01

    The mid-infrared is an optimal window to trace stellar mass in nearby galaxies and the 3.6 μ {{m}} IRAC band has been exploited to this effect, but such mass estimates can be biased by dust emission. We present our pipeline to reveal the old stellar flux at 3.6 μm and obtain stellar mass maps for more than 1600 galaxies available from the Spitzer Survey of Stellar Structure in Galaxies (S4G). This survey consists of images in two infrared bands (3.6 and 4.5 μ {{m}}), and we use the Independent Component Analysis (ICA) method presented in Meidt et al. to separate the dominant light from old stars and the dust emission that can significantly contribute to the observed 3.6 μ {{m}} flux. We exclude from our ICA analysis galaxies with low signal-to-noise ratio ({{S}}/{{N}}\\lt 10) and those with original [3.6]-[4.5] colors compatible with an old stellar population, indicative of little dust emission (mostly early Hubble types, which can directly provide good mass maps). For the remaining 1251 galaxies to which ICA was successfully applied, we find that as much as 10%-30% of the total light at 3.6 μ {{m}} typically originates from dust, and locally it can reach even higher values. This contamination fraction shows a correlation with specific star formation rates, confirming that the dust emission that we detect is related to star formation. Additionally, we have used our large sample of mass estimates to calibrate a relationship of effective mass-to-light ratio (M/L) as a function of observed [3.6]-[4.5] color: {log}({\\text{}}M/L) = -0.339(+/- 0.057) × ([3.6]-[4.5])-0.336(+/- 0.002). Our final pipeline products have been made public through IRSA, providing the astronomical community with an unprecedentedly large set of stellar mass maps ready to use for scientific applications.

  5. Title of the paper goes here second line

    Indian Academy of Sciences (India)

    %%Please download if these packages are not included %%in your local TeX distribution %%txfonts,balance,textcase,float %% \\begin{document} %%paper title %%For line breaks, \\\\ can be used within title \\title{Title of the paper goes here\\\\ second line} %%author names are separated by comma (,) %%use \\and before ...

  6. Determination of trace selenium by solid substrate-room temperature phosphorescence enhancing method based on potassium chlorate oxidizing phenyl hydrazine-1,2-dihydroxynaphthalene-3,6-disulfonic acid system

    Science.gov (United States)

    Liu, Jia-Ming; Cui, Xiao-Jie; Li, Lai-Ming; Fu, Geng-Min; Lin, Shao-Xian; Yang, Min-Lan; Xu, Mei-Ying; Wu, Zhi-Qun

    2007-04-01

    A new method for the determination of trace selenium based on solid substrate-room temperature phosphorimetry (SS-RTP) has been established. This method was based on the fact that in HCl-KCl buffer solution, potassium chlorate could oxidize phenyl hydrazine to form chloridize diazo-ion after being heated at 100 °C for 20 min, and then the diazo-ion reacted with 1,2-dihydroxynaphthalene-3,6-disulfonic acid to form red azo-compound which could emit strong room temperature phosphorescence (RTP) signal on filter paper. Selenium could catalyze potassium chlorate oxidizing the reaction between phenyl hydrazine and 1,2-dihydroxynaphthalene-3,6-disulfonic acid, which caused the sharp enhancement of SS-RTP. Under the optimum condition, the relationship between the phosphorescence emission intensity (Δ Ip) and the content of selenium obeyed Beer's law when the concentration of selenium is within the range of 1.60-320 fg spot -1 (or 0.0040-0.80 ng ml -1 with a sample volume of 0.4 μl). The regression equation of working curve can be expressed as Δ Ip = 13.12 + 0.4839 CSe(IV) (fg spot -1) ( n = 6), with correlation coefficient r = 0.9991 and a detection limit of 0.28 fg spot -1 (corresponding to a concentration range of 7.0 × 10 -13 g ml -1 Se(IV), n = 11). After 11-fold measurement, R.S.D. were 2.8 and 3.5% for the samples containing 0.0040 and 0.80 ng ml -1 of Se(IV), respectively. This accurate and sensitive method with good repeatability has been successfully applied to the determination of trace selenium in Chinese wolfberry and egg yolk with satisfactory results. The mechanism of the enhancement of phosphorescence was also discussed.

  7. Browse Title Index

    African Journals Online (AJOL)

    Items 101 - 150 of 160 ... Vol 1, No 1 (2010), Solid state syntheses and interconversion of new metal salts and their coordination compounds, Abstract PDF ... Vol 6, No 1 (2015), Synthesis and Single Crystal X-Ray Crystallographic Analysis of 2-oxo-2,3- dihydropyrimidin-1-ium{trichloridopyrimidin-2(1H)-one} Cobaltate (II) ...

  8. Cataclysmic Rock Avalanche from El Capitan, Yosemite Valley, circa 3.6 ka

    Science.gov (United States)

    Stock, G. M.

    2008-12-01

    El Capitan in Yosemite Valley is one of the largest and most iconic granite faces in the world. Despite glacially steepened walls exceeding 90 degrees, a historic database shows relatively few rock falls from El Capitan in the past 150 years. However, a massive bouldery deposit beneath the southeast face suggests an earlier rock avalanche of unusually large size. Spatial analysis of airborne LiDAR data indicate that the rock avalanche deposit has a volume of ~2.70 x 106 m3, a maximum thickness of 18 m, and a runout distance of 660 m, roughly twice the horizontal extent of the adjacent talus. The deposit is very coarse on its distal edge, with individual boulder volumes up to 2500 m3. Cosmogenic 10Be exposure dates from boulders distributed across the deposit confirm this interpretation. Four 10Be samples are tightly clustered between 3.5 and 3.8 ka, with a mean age of 3.6 +/- 0.6 ka. A fifth sample gives a much older age of 22.0 ka, but a glacier occupied Yosemite Valley at this time, prohibiting deposition; thus, the older age likely results from exposure on the cliff face prior to failure. The similarity of ages and overall morphology suggest that the entire deposit formed during a single event. The mean exposure age coincides with inferred Holocene rupture of the northern Owens Valley and/or White Mountain fault(s) between 3.3 and 3.8 ka (Lee et al., 2001; Bacon and Pezzopane, 2007). This time coincidence, combined with the fact that historic rupture of the Owens Valley fault in A.D. 1872 generated numerous large rock falls in Yosemite Valley, strongly suggests that the El Capitan rock avalanche was triggered by a seismic event along the eastern margin of the Sierra Nevada circa 3.6 ka. As there is not an obvious "scar" on the expansive southeast face, the exact source area of the rock avalanche is not yet known. Detrital apatite U-Th/(He) thermochronometry can determine the elevation(s) from which rock fall boulders originate, but significant inter-sample age

  9. Crystal structure of 2-[(3aS,6R-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H-one

    Directory of Open Access Journals (Sweden)

    Abdellah N'ait Ousidi

    2016-03-01

    Full Text Available The title compound, C13H19N3OS, is a new thiazolidin-4-one derivative prepared and isolated as the pure (3aS,6R-diastereisomer from (R-thiosemicarbazone pulegone. It crystallized with two independent molecules (A and B in the asymmetric unit. The compound is composed of a hexhydroindazole ring system (viz. a five-membered dihydropyrazole ring fused to a cyclohexyl ring with a thiazole-4-one ring system attached to one of the pyrazole N atoms (at position 2. The overall geometry of the two molecules differs slightly, with the mean planes of the pyrazole and thiazole rings being inclined to one another by 10.4 (1° in molecule A and 0.9 (1° in molecule B. In the crystal, the A and B molecules are linked via C—H...O hydrogen bonds, forming slabs parallel to the ab plane. There are C—H...π interactions present within the layers, and between the layers, so forming a three-dimensional structure.

  10. Crystal structures of (RS-N-[(1R,2S-2-benzyloxy-1-(2,6-dimethylphenylpropyl]-2-methylpropane-2-sulfinamide and (RS-N-[(1S,2R-2-benzyloxy-1-(2,4,6-trimethylphenylpropyl]-2-methylpropane-2-sulfinamide: two related protected 1,2-amino alcohols

    Directory of Open Access Journals (Sweden)

    Matthew R. Carbone

    2014-11-01

    Full Text Available The title compounds, C22H31NO2S, (1, and C23H33NO2S, (2, are related protected 1,2-amino alcohols. They differ in the substituents on the benzene ring, viz. 2,6-dimethylphenyl in (1 and 2,4,6-trimethylphenyl in (2. The plane of the phenyl ring is inclined to that of the benzene ring by 28.52 (7° in (1 and by 44.65 (19° in (2. In the crystal of (1, N—H...O=S and C—H...O=S hydrogen bonds link molecules, forming chains along [100], while in (2, similar hydrogen bonds link molecules into chains along [010]. The absolute structures of both compounds were determined by resonance scattering.

  11. Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid

    Directory of Open Access Journals (Sweden)

    Noureddine Beghidja

    2015-02-01

    Full Text Available In the title compound, C15H22O2, both five-membered rings display an envelope conformation whereas the six-membered ring displays a chair conformation. In the crystal, pairs of O—H...O hydrogen bonds between carboxylic groups link molecules, related by a twofold rotation axis, into supramolecular dimers.

  12. Superconducting to spin-glass state transformation in β-pyrochlore KxOs2O6

    Science.gov (United States)

    Lee, C. C.; Lee, W. L.; Lin, J.-Y.; Tsuei, C. C.; Lin, J. G.; Chou, F. C.

    2011-03-01

    β-pyrochore KOs2O6, which shows superconductivity below ~9.7 K, has been converted into KxOs2O6 (x≲(2)/(3)-(1)/(2)) electrochemically to show spin-glass-like behavior below ~6.1 K. A room-temperature sample surface potential versus charge transfer scan indicates that there are at least two two-phase regions for x between 1 and 0.5. A rattling model of superconductivity for the title compound has been examined using electrochemical potassium de-intercalation. The significant reduction of superconducting volume fraction due to minor potassium reduction suggests the importance of defect and phase coherence in the rattling model. Magnetic susceptibility, resistivity, and specific heat measurement results have been compared between the superconducting and spin-glass-like samples.

  13. 3,6-Carbazole vs 2,7-carbazole: A comparative study of hole-transporting polymeric materials for inorganic–organic hybrid perovskite solar cells

    Directory of Open Access Journals (Sweden)

    Wei Li

    2016-07-01

    Full Text Available The ever increasing demand for clean energy has encouraged researchers to intensively investigate environmentally friendly photovoltaic devices. Inorganic–organic hybrid perovskite solar cells (PSCs are very promising due to their potentials of easy fabrication processes and high power conversion efficiencies (PCEs. Designing hole-transporting materials (HTMs is one of the key factors in achieving the high PCEs of PSCs. We now report the synthesis of two types of carbazole-based polymers, namely 3,6-Cbz-EDOT and 2,7-Cbz-EDOT, by Stille polycondensation. Despite the same chemical composition, 3,6-Cbz-EDOT and 2,7-Cbz-EDOT displayed different optical and electrochemical properties due to the different connectivity mode of the carbazole unit. Therefore, their performances as hole-transporting polymeric materials in the PSCs were also different. The device based on 2,7-Cbz-EDOT showed better photovoltaic properties with the PCE of 4.47% than that based on 3,6-Cbz-EDOT. This could be due to its more suitable highest occupied molecular orbital (HOMO level and higher hole mobility.

  14. 3,6-Carbazole vs 2,7-carbazole: A comparative study of hole-transporting polymeric materials for inorganic-organic hybrid perovskite solar cells.

    Science.gov (United States)

    Li, Wei; Otsuka, Munechika; Kato, Takehito; Wang, Yang; Mori, Takehiko; Michinobu, Tsuyoshi

    2016-01-01

    The ever increasing demand for clean energy has encouraged researchers to intensively investigate environmentally friendly photovoltaic devices. Inorganic-organic hybrid perovskite solar cells (PSCs) are very promising due to their potentials of easy fabrication processes and high power conversion efficiencies (PCEs). Designing hole-transporting materials (HTMs) is one of the key factors in achieving the high PCEs of PSCs. We now report the synthesis of two types of carbazole-based polymers, namely 3,6-Cbz-EDOT and 2,7-Cbz-EDOT, by Stille polycondensation. Despite the same chemical composition, 3,6-Cbz-EDOT and 2,7-Cbz-EDOT displayed different optical and electrochemical properties due to the different connectivity mode of the carbazole unit. Therefore, their performances as hole-transporting polymeric materials in the PSCs were also different. The device based on 2,7-Cbz-EDOT showed better photovoltaic properties with the PCE of 4.47% than that based on 3,6-Cbz-EDOT. This could be due to its more suitable highest occupied molecular orbital (HOMO) level and higher hole mobility.

  15. Magnetocaloric effect in the La0.8Ce0.2Fe11.4-xCoxSi1.6 compounds

    International Nuclear Information System (INIS)

    Wang, G.F.; Song, L.; Li, F.A.; Ou, Z.Q.; Tegus, O.; Brueck, E.; Buschow, K.H.J.

    2009-01-01

    The effects of substitution of Co for Fe on the magnetic and magnetocaloric properties of La 0.8 Ce 0.2 Fe 11.4-x Co x Si 1.6 (0, 0.2, 0.4, 0.6, 0.8 and 1.0) compounds have been investigated. X-ray diffraction shows that all compounds crystallize in the NaZn 13 -type structure. Magnetic measurements show that the Curie temperature (T C ) can be tuned between 184 and 294 K by changing the Co content from 0 to 1. A field-induced methamagnetic transition occurs in samples with x=0, 0.2 and 0.4. The magnetic entropy changes of the compounds have been determined from the isothermal magnetization measurements by using the Maxwell relation.

  16. (2E-3-(6-Chloro-2-methoxyquinolin-3-yl-1-(2-methyl-4-phenylquinolin-3-ylprop-2-en-1-one acetone monosolvate

    Directory of Open Access Journals (Sweden)

    Edward R. T. Tiekink

    2013-08-01

    Full Text Available In the title solvate, C29H21ClN2O2·C3H6O, a prop-2-en-1-one bridge links two quinolinyl residues; the latter are almost perpendicular [dihedral angle = 78.27 (6°]. The dihedral angle between the quinonyl ring system and its pendant phenyl group is 59.78 (8°. A small twist in the bridging prop-2-en-1-one group is noted [O=C—C=C torsion angle = −10.6 (3°]. In the crystal, a three-dimensional architecture arises as a result of C—H...O and π–π stacking [centroid–centroid distances = 3.5504 (12–3.6623 (12 Å].

  17. Impact of Sterile Compounding Batch Frequency on Pharmaceutical Waste.

    Science.gov (United States)

    Abbasi, Ghalib; Gay, Evan

    2017-01-01

    Purpose: To measure the impact of increasing sterile compounding batch frequency on pharmaceutical waste as it relates to cost and quantity. Methods: Pharmaceutical IV waste at a tertiary care hospital was observed and recorded for 7 days. The batching frequency of compounded sterile products (CSPs) was then increased from twice daily to 4 times daily. After a washout period, pharmaceutical IV waste was then recorded for another 7 days. The quantity of units wasted and the cost were compared between both phases to determine the impact that batching frequency has on IV waste, specifically among high- and low-cost drugs. Results: Patient days increased from 2,459 during phase 1 to 2,617 during phase 2. The total number of CSPs wasted decreased from 3.6 to 2.7 doses per 100 patient days. Overall cost was reduced from $4,585.36 in phase 1 to $4,453.88 in phase 2. The value of wasted high-cost drugs per 100 patient days increased from $146 in phase 1 to $149 in phase 2 ( p > .05). The value of wasted low cost drugs per 100 patient days decreased from $41 in phase 1 to $21 in phase 2 ( p waste quantity and cost. The highest impact of the intervention was observed among low-cost CSPs.

  18. Letter report: status on code maintenance (EQ3/6)

    International Nuclear Information System (INIS)

    Wolery, T.J.

    1995-01-01

    EQ3/6 is a software package for geochemical modeling of aqueous systems, such as water/rock or waste/water rock. It is being developed for a variety of applications in geochemical studies for the Yucca Mountain Site Characterization Project. Version 7.2a was the first version of this software to be certified for use in quality- affecting work (originally issued for use in non-quality-affecting work only on 12/28/93; certified on S/17/94). In the past year, the Version 7 line software has been maintained while the new Version 8 line has been developed. In this period, sixteen defect reports have been logged and resolved. Corrected software is being released as Version 7.2b. Defect reporting and resolution for the Version 7 line will continue until all released versions in this line are retired, perhaps six months to a year after Version 8.0 is released later this year. The Version 7 software is written in Fortran 77, technically speaking, but incorporates many aspects of older Fortran. The Version 8 software is written in a much more modern Fortran, technically somewhere between Fortran 77 and Fortran 90. Future code maintenance activities will include a more complete move to Fortran 90, as well as continued maintaining of defect reporting and resolution

  19. 36 CFR 223.118 - Appeal process for small business timber sale set-aside program share recomputation decisions.

    Science.gov (United States)

    2010-07-01

    ... appeal: (i) The appellant's name, mailing address, and daytime telephone number; (ii) The title or type... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Appeal process for small... FOREST SYSTEM TIMBER Timber Sale Contracts Contract Administration § 223.118 Appeal process for small...

  20. 1,4-Dihexyloxy-2,5-bis(2-nitrophenylbenzene

    Directory of Open Access Journals (Sweden)

    Norma Wrobel

    2012-04-01

    Full Text Available The title compound, C30H36N2O6, was prepared via twofold Suzuki coupling of a diboronic acid with bromonitrobenzene. The molecule is located on a crystallographic inversion centre. The lateral benzene ring and the central ring make a dihedral angle of 48.75 (14° and the nitro group is twisted by 41.47 (13° out of the plane of the benzene ring. The nitro and hexyloxy groups are in close proximity and the hexyloxy chain adopts an all-anti conformation.

  1. INIS: Authority list for journal titles

    International Nuclear Information System (INIS)

    2009-01-01

    This is the 35th revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13 750 journal titles, 1 965 regularly scanned journals and 593 key journals. It was last updated in March 2009. A journal - or periodical - is a continuing publication issued in a succession of discrete parts, usually bearing numbering and/or chronological designations and intended to be continued indefinitely. It is generally published within a defined, fixed interval between issues and normally appears more than once per year. It includes a mixture of articles, letters, summaries, etc. Within this definition, annuals such as the Annual Review of Nuclear Science are included, but series titles such as the McGraw-Hill Series in Nuclear Engineering are not. The purpose of this document is to provide descriptive cataloguers with standard elements to include in bibliographic level 'S' of the INIS record. These elements include field (tag) 229 (Full Journal Title), 320 (ISSN) and 321 (CODEN). The full journal title is mandatory, and either the ISSN or the CODEN must be included (both may appear). Instructions on how to use this and other elements of the INIS record format are found in INIS: Guide to Bibliographic Description (IAEA-INIS-1). In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: - In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. - In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. - In Part III, all journals that are regularly scanned by the

  2. Analisis Portofolio Optimum Saham Syariah Dengan Model Black Litterman

    Directory of Open Access Journals (Sweden)

    Arum Virgina Dewi Kusuma Ratri

    2015-04-01

    Full Text Available Kegiatan berinvestasi yang dilakukan oleh investor tidak dapat terlepas dari faktor return dan risiko. Pembentuk portofolio menjadi suatu pilihan yang dapat membantu meminimalkan risiko dan mengoptimalkan keuntungan. Salah satunya adalah model portofolio Black Litterman (BL. Model ini merupakan model yang mengkombinasikan antara return ekuilibrium yang diperoleh melalui Capital Asset Pricing Model (CAPM dengan pandangan/views investor tentang return suatu aset. Penelitian ini membahas tentang penerapan model Black Litterman pada saham syariah yang tergabung dalam Jakarta Islamic Index (JII periode Januari 2014 – Januari 2015. Pemilihan portofolio dilakukan dengan memilih 5 (lima saham yang memiliki expected return CAPM terbesar diperoleh saham INDF, MNCN, MPPA, SILO dan SSMS. Hasil penelitian menunjukkan bahwa portofolio model Black Litterman terbentuk dari saham INDF (54,44%, MNCN (11,69%, MPPA (13,17% dan SSMS (20,70% dengan return 0,13% dan risiko 0,0114%.

  3. Resonance parameters of the 6.67-, 20.9-, and 36.8-eV levels in 238U

    International Nuclear Information System (INIS)

    Olsen, D.K.; de Saussure, G.; Perez, R.B.; Difilippo, F.C.

    1976-01-01

    The ENDF/B-IV 238 U cross sections (MAT-1262) yield an effective capture resonance integral in strongly self-shielded situations which is too high. This situation suggests that the ENDF/B capture widths for the first few s-wave levels may be too large. Recent ORELA measurements of transmission through 238 U have been analyzed with a multilevel formula to determine the parameters of the 6.67-, 20.9-, and 36.6-eV levels. These three levels provide 86 percent of the infinitely dilute capture resonance integral

  4. 1-(4-Methyl­phenyl­sulfon­yl)-5,6-di­nitro-1H-indazole

    Science.gov (United States)

    Oulemda, Bassou; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen

    2014-01-01

    In the title compound, C14H10N4O6S, the indazole ring system is almost perpendicular to the tosyl ring, as indicated by the dihedral angle of 89.40 (9)° between their planes. The dihedral angles between the indazole system and the nitro groups are 57.0 (3) and 31.9 (3)°. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, forming chains running along [100]. PMID:24526962

  5. Crystal structure of 2-amino-N-(2-fluorophenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

    Directory of Open Access Journals (Sweden)

    K. Chandra Kumar

    2015-11-01

    Full Text Available In the title compound, C15H15FN2OS, the dihedral angle between the planes of the benzothiophene ring system and the fluorobenzene ring is 3.74 (14°. The six-membered ring of the benzothiophene moiety adopts a half-chair conformation. The molecular conformation is consolidated by intramolecular N—H...F and N—H...O hydrogen bonds. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating C(6 [001] chains.

  6. 24 CFR 203.385 - Types of satisfactory title evidence.

    Science.gov (United States)

    2010-04-01

    ... 24 Housing and Urban Development 2 2010-04-01 2010-04-01 false Types of satisfactory title... Title Waivers § 203.385 Types of satisfactory title evidence. The following types of title evidence shall be satisfactory to the Commissioner: (a) Fee or owner's title policy. A fee or owner's policy of...

  7. (E-1-(4,4′′-Difluoro-5′-methoxy-1,1′:3′,1′′-terphenyl-4′-yl-3-(6-methoxynaphthalen-2-ylprop-2-en-1-one

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-12-01

    Full Text Available In the title compound, C33H24F2O3, the central benzene ring makes dihedral angles of 44.71 (10, 47.80 (10 and 63.68 (9° with the two fluoro-substituted benzene rings and the naphthalene ring system, respectively. In the crystal, molecules are connected via intermolecular C—H...F and C—H...O hydrogen bonds. Furthermore, the crystal structure is stabilized by weak C—H...π and π–π interactions [centroid–centroid distance = 3.6816 (13 Å].

  8. Study of the CMR compounds in hazardous wastes

    International Nuclear Information System (INIS)

    Chollot, A.

    2007-01-01

    In order to limit the exposure of workers to carcinogenic, mutagen and reproduction-toxic compounds (CMR) and to optimize the safety needs in the field of hazardous industrial wastes, the INRS has decided to complete its knowledge in doing a sectorial inquiry titled 'study of the CMR compounds contained in wastes'. This study allows to obtain data relative to hazardous wastes and to the presence of CMR compounds into these hazardous wastes. The first part of this study gives the methodology used for doing this inquiry. The results, gathered in databases, are presented in tables and in synthetic schemes. The last part gives operational propositions it could be important to adopt to improve and/or to develop safety approaches adapted to the CMR risk and, particularly the transfer of the good data to workers. (O.M.)

  9. Magnetocrystalline anisotropy constants, rotational hysteresis energy and magnetic domain structure in UFe6Al6, UFe9AlSi2 and ScFe10Si2 intermetallic compounds

    International Nuclear Information System (INIS)

    Wyslocki, J.J.; Pawlik, P.; Wochowski, K.; Kotur, B.; Bodak, O.I.

    1996-01-01

    The magnetic torque, T, was applied to determine the anisotropy constants K 1 and K 2 of the UFe 6 Al 6 , UFe 9 AlSi 2 and ScFe 10 Si 2 compounds. The mechanism of magnetization reversal processes in these compounds was investigated on the basis of the analysis of the rotational hysteresis energy, W r and rotational hysteresis integral, R, calculated from the magnetic torque curves. Applying the powder pattern method, magnetic domain structures were observed. Moreover, the fundamental parameters of the domain structure were determined. (orig.)

  10. [(6-Methyl-2-pyridylmethyl(2-pyridylmethylamine][(2-pyridylmethylamine]copper(II bis(perchlorate

    Directory of Open Access Journals (Sweden)

    Ray J. Butcher

    2008-01-01

    Full Text Available The title compound, [Cu(C6H8N2(C13H15N3](ClO42, is a mixed ligand complex with the CuII atom coordinated by (6-methyl-2-pyridylmethyl(2-pyridylmethylamine, acting as a tridentate ligand, and 2-(2-aminomethylpyridine, as a bidentate ligand, leading to an N5 square-pyramidal geometry. The amine H atoms are involved in hydrogen bonding to the perchlorate O atoms and there are extensive but weak intermolecular C—H...O interactions in the crystal structure. The perchlorate ions are each disordered over two positions, with site occupancies of 0.601 (8:0.399 (8 and 0.659 (11:0.341 (11.

  11. 2,2,3,3,5,5,6,6-Octa-p-tolyl-1,4-dioxa-2,3,5,6-tetragermacyclohexane dichloromethane disolvate

    Directory of Open Access Journals (Sweden)

    Monika L. Amadoruge

    2009-09-01

    Full Text Available The title compound, C56H56Ge4O2·2CH2Cl2 or Tol8Ge4O2·2CH2Cl2 (Tol = p-CH3C6H4, was obtained serendipitously during the attempted synthesis of a branched oligogermane from Tol3GeNMe2 and PhGeH3. The molecule contains an inversion center in the middle of the Ge4O2 ring which is in a chair conformation. The Ge—Ge bond distance is 2.4418 (5 Å and the Ge—O bond distances are 1.790 (2 and 1.785 (2 Å. The torsion angles within the Ge4O2 ring are −56.7 (1 and 56.1 (1° for the Ge—Ge—O—Ge angles and −43.9 (1° for the O—Ge—Ge—O angle.

  12. Formulating the Right Title for a Research Article.

    Science.gov (United States)

    Bavdekar, Sandeep B

    2016-02-01

    Title is an important part of the article. It condenses article content in a few words and captures readers' attention. A good title for a research article is the one which, on its own, is able to introduce the research work to the fullest extent, but in a concise manner. Writing scientific titles that are informative and attractive is a challenging task. This communication describes the importance of titles and the methods of creating appropriate titles for research papers. © Journal of the Association of Physicians of India 2011.

  13. THE CARNEGIE HUBBLE PROGRAM: THE LEAVITT LAW AT 3.6 μm AND 4.5 μm IN THE LARGE MAGELLANIC CLOUD

    International Nuclear Information System (INIS)

    Scowcroft, Victoria; Freedman, Wendy L.; Madore, Barry F.; Monson, Andrew J.; Persson, S. E.; Seibert, Mark; Rigby, Jane R.; Sturch, Laura

    2011-01-01

    The Carnegie Hubble Program is designed to improve the extragalactic distance scale using data from the post-cryogenic era of Spitzer. The ultimate goal is a determination of the Hubble constant to an accuracy of 2%. This paper is the first in a series on the Cepheid population of the Large Magellanic Cloud, and focusses on the period-luminosity (PL) relations (Leavitt laws) that will be used, in conjunction with observations of Milky Way Cepheids, to set the slope and zero point of the Cepheid distance scale in the mid-infrared. To this end, we have obtained uniformly sampled light curves for 85 LMC Cepheids, having periods between 6 and 140 days. PL and period-color relations are presented in the 3.6 μm and 4.5 μm bands. We demonstrate that the 3.6 μm band is a superb distance indicator. The cyclical variation of the [3.6]–[4.5] color has been measured for the first time. We attribute the amplitude and phase of the color curves to the dissociation and recombination of CO molecules in the Cepheid's atmosphere. The CO affects only the 4.5 μm flux making it a potential metallicity indicator.

  14. 36 Annual Meeting of Spanish Nuclear Society, Oct. 6-9 2010 Santiago de Compostela, Spain

    International Nuclear Information System (INIS)

    2010-01-01

    The Spanish Nuclear Society (SNE) is a non-profit association, made up of professionals and institutions in order to promote awareness and dissemination of science and nuclear technology. The 36th meeting of the SNE was held in Santiago de Compostela between 6 and 8 October 2010. Participants discussed the situation of nuclear energy and its challenges, the development of electric cars and their distributional implications, and the study of nuclear advertising on other countries and their potential application to the case of Spain.

  15. 1,1,2,2-Tetrakis[2,4-dichloro-6-(diethoxymethylphenoxymethyl]ethene

    Directory of Open Access Journals (Sweden)

    Yavuz Köysal

    2012-10-01

    Full Text Available In the title compound, C50H60Cl8O12, the molecules are disordered about an inversion center located at the mid-point of the central C=C bond. These atoms show disorder and were modelled with two different orientations with site occupancies of 0.828 (3 and 0.172 (3. The dihedral angle between the two benzene rings in the asymmetric unit is 52.80 (6°. Intramolecular C—H...O and C—H...Cl interactions occur and the crystal packing features inversion dimers linked by pairs of C—H...O bonds, generating R22(10 loops.

  16. Anti-Inflammatory Activity of Different Agave Plants and the Compound Cantalasaponin-1

    Directory of Open Access Journals (Sweden)

    Jaime Tortoriello

    2013-07-01

    Full Text Available Species of the agave genus, such as Agave tequilana, Agave angustifolia and Agave americana are used in Mexican traditional medicine to treat inflammation-associated conditions. These plants’ leaves contain saponin compounds which show anti-inflammatory properties in different models. The goal of this investigation was to evaluate the anti-inflammatory capacity of these plants, identify which is the most active, and isolate the active compound by a bio-directed fractionation using the ear edema induced in mice with 12-O-tetradecanoylphorbol-13-acetate (TPA technique. A dose of 6 mg/ear of acetone extract from the three agave species induced anti-inflammatory effects, however, the one from A. americana proved to be the most active. Different fractions of this species showed biological activity. Finally the F5 fraction at 2.0 mg/ear induced an inhibition of 85.6%. We identified one compound in this fraction as (25R-5α-spirostan-3β,6α,23α-triol-3,6-di-O-β-D-glucopyranoside (cantalasaponin-1 through 1H- and 13C-NMR spectral analysis and two dimensional experiments like DEPT NMR, COSY, HSQC and HMBC. This steroidal glycoside showed a dose dependent effect of up to 90% of ear edema inhibition at the highest dose of 1.5 mg/ear.

  17. Effect of preservation of the C-6 spinous process and its paraspinal muscular attachment on the prevention of postoperative axial neck pain in C3-6 laminoplasty.

    Science.gov (United States)

    Mori, Eiji; Ueta, Takayoshi; Maeda, Takeshi; Yugué, Itaru; Kawano, Osamu; Shiba, Keiichiro

    2015-03-01

    Axial neck pain after C3-6 laminoplasty has been reported to be significantly lesser than that after C3-7 laminoplasty because of the preservation of the C-7 spinous process and the attachment of nuchal muscles such as the trapezius and rhomboideus minor, which are connected to the scapula. The C-6 spinous process is the second longest spinous process after that of C-7, and it serves as an attachment point for these muscles. The effect of preserving the C-6 spinous process and its muscular attachment, in addition to preservation of the C-7 spinous process, on the prevention of axial neck pain is not well understood. The purpose of the current study was to clarify whether preservation of the paraspinal muscles of the C-6 spinous process reduces postoperative axial neck pain compared to that after using nonpreservation techniques. The authors studied 60 patients who underwent C3-6 double-door laminoplasty for the treatment of cervical spondylotic myelopathy or cervical ossification of the posterior longitudinal ligament; the minimum follow-up period was 1 year. Twenty-five patients underwent a C-6 paraspinal muscle preservation technique, and 35 underwent a C-6 nonpreservation technique. A visual analog scale (VAS) and VAS grading (Grades I-IV) were used to assess axial neck pain 1-3 months after surgery and at the final follow-up examination. Axial neck pain was classified as being 1 of 5 types, and its location was divided into 5 areas. The potential correlation between the C-6/C-7 spinous process length ratio and axial neck pain was examined. The mean VAS scores (± SD) for axial neck pain were comparable between the C6-preservation group and the C6-nonpreservation group in both the early and late postoperative stages (4.1 ± 3.1 vs 4.0 ± 3.2 and 3.8 ± 2.9 vs 3.6 ± 3.0, respectively). The distribution of VAS grades was comparable in the 2 groups in both postoperative stages. Stiffness was the most prevalent complaint in both groups (64.0% and 54

  18. 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.

  19. Poly[[aqua(μ5-3,4,5,6-tetracarboxycyclohexane-1,2-dicarboxylatostrontium] monohydrate

    Directory of Open Access Journals (Sweden)

    Pei-Chi Cheng

    2011-12-01

    Full Text Available In the title compound, {[Sr(C12H10O12(H2O]·H2O}n, the SrII ion is coordinated by six O atoms of five symmetry-related 3,4,5,6-tetracarboxycyclohexane-1,2-dicarboxylate ligands and one water molecule in a slightly distorted monocapped trigonal–prismatic environment. The ligands bridge the SrII ions, forming a two-dimensional structure. In the crystal, O—H...O hydrogen bonds further connect the structure into a three-dimensional network. The H atoms of two of the carboxyl groups were refined as half-occupancy.

  20. 36 CFR 1011.6 - When will the Presidio Trust allow a debtor to enter into a repayment agreement?

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false When will the Presidio Trust... Property PRESIDIO TRUST DEBT COLLECTION Procedures To Collect Presidio Trust Debts § 1011.6 When will the... will collect debts in one lump sum whenever feasible. The Presidio Trust may accept payment in regular...

  1. EQPT, a data file preprocessor for the EQ3/6 software package: User`s guide and related documentation (Version 7.0); Part 2

    Energy Technology Data Exchange (ETDEWEB)

    Daveler, S.A.; Wolery, T.J.

    1992-12-17

    EQPT is a data file preprocessor for the EQ3/6 software package. EQ3/6 currently contains five primary data files, called datao files. These files comprise alternative data sets. These data files contain both standard state and activity coefficient-related data. Three (com, sup, and nea) support the use of the Davies or B-dot equations for the activity coefficients; the other two (hmw and pit) support the use of Pitzer`s (1973, 1975) equations. The temperature range of the thermodynamic data on these data files varies from 25{degrees}C only to 0-300{degrees}C. The principal modeling codes in EQ3/6, EQ3NR and EQ6, do not read a data0 file, however. Instead, these codes read an unformatted equivalent called a data1 file. EQPT writes a datal file, using the corresponding data0 file as input. In processing a data0 file, EQPT checks the data for common errors, such as unbalanced reactions. It also conducts two kinds of data transformation. Interpolating polynomials are fit to data which are input on temperature adds. The coefficients of these polynomials are then written on the datal file in place of the original temperature grids. A second transformation pertains only to data files tied to Pitzer`s equations. The commonly reported observable Pitzer coefficient parameters are mapped into a set of primitive parameters by means of a set of conventional relations. These primitive form parameters are then written onto the datal file in place of their observable counterparts. Usage of the primitive form parameters makes it easier to evaluate Pitzer`s equations in EQ3NR and EQ6. EQPT and the other codes in the EQ3/6 package are written in FORTRAN 77 and have been developed to run under the UNIX operating system on computers ranging from workstations to supercomputers.

  2. Comparative study of potentially J{sub eff} = 0 ground state iridium(V) in SrLaNiIrO{sub 6}, SrLaMgIrO{sub 6}, and SrLaZnIrO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Wolff, Klaus K.; Agrestini, Stefano; Tjeng, Liu Hao [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Tanaka, Arata [Department of Quantum Matter, AdSM, Hiroshima University, Higashi-Hiroshima (Japan); Jansen, Martin [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Max Planck Institute for Solid State Research, Stuttgart (Germany)

    2017-12-13

    A series of polycrystalline double perovskites SrLaBIrO{sub 6} (B = Ni, Mg, Zn) containing Ir{sup 5+} (5d{sup 4}) was synthesized by solid state reactions, and structural, magnetic and electronic properties were investigated. The isotypic fully ordered double perovskites crystallize in space group P2{sub 1}/n and show semiconducting behavior with estimated bandgaps of approximately 0.2 eV for SrLaNiIrO{sub 6} and SrLaZnIrO{sub 6}, and 0.4 eV for SrLaMgIrO{sub 6}. SrLaNiIrO{sub 6} is an antiferromagnet with a Neel temperature of 74 K (μ{sub eff} = 3.3 μ{sub B}, θ{sub W} = -90 K), whereas SrLaMgIrO{sub 6} and SrLaZnIrO{sub 6} are weakly paramagnetic. All title compounds exhibit a temperature-independent contribution to the measured magnetic susceptibility, which supports the notion for a van-Vleck-type response originating from the Ir{sup 5+} (5d{sup 4}, J{sub eff} = 0) ions. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Thermodynamic Study of Tl6SBr4 Compound and Some Regularities in Thermodynamic Properties of Thallium Chalcohalides

    Directory of Open Access Journals (Sweden)

    Dunya Mahammad Babanly

    2017-01-01

    Full Text Available The solid-phase diagram of the Tl-TlBr-S system was clarified and the fundamental thermodynamic properties of Tl6SBr4 compound were studied on the basis of electromotive force (EMF measurements of concentration cells relative to a thallium electrode. The EMF results were used to calculate the relative partial thermodynamic functions of thallium in alloys and the standard integral thermodynamic functions (-ΔfG0, -ΔfH0, and S0298 of Tl6SBr4 compound. All data regarding thermodynamic properties of thallium chalcogen-halides are generalized and comparatively analyzed. Consequently, certain regularities between thermodynamic functions of thallium chalcogen-halides and their binary constituents as well as degree of ionization (DI of chemical bonding were revealed.

  4. Crystal structure of (NH4)2[Fe(II) 5(HPO3)6], a new open-framework phosphite.

    Science.gov (United States)

    Berrocal, Teresa; Mesa, Jose Luis; Larrea, Edurne; Arrieta, Juan Manuel

    2014-11-01

    Di-ammonium hexa-phosphito-penta-ferrate(II), (NH4)2[Fe5(HPO3)6], was synthesized under mild hydro-thermal conditions and autogeneous pressure, yielding twinned crystals. The crystal structure exhibits an [Fe(II) 5(HPO3)6](2-) open framework with NH4 (+) groups as counter-cations. The anionic skeleton is based on (001) sheets of [FeO6] octa-hedra (one with point-group symmetry 3.. and one with .2.) linked along [001] through [HPO3](2-) oxoanions. Each sheet is constructed from 12-membered rings of edge-sharing [FeO6] octa-hedra, giving rise to channels with a radius of ca 3.1 Å in which the disordered NH4 (+) cations are located. The IR spectrum shows vibrational bands typical for phosphite and ammonium groups.

  5. Quarterly title list for the period ending September 1976

    International Nuclear Information System (INIS)

    1976-01-01

    The title list of the Max-Planck-Institut fuer Plasmaphysik and the Projektgruppe fuer Laserforschung of the MPG is concerned with the period from July until September 1976, and it contains: a) 12 titles and abstracts of laboratory reports, b) 37 titles of publications (30 abstracts), c) 20 titles of articles submitted for publication (16 abstracts), and d) 25 titles of lectures (12 abstracts). (GG) [de

  6. Compound Heterozygosity for Null Mutations and a Common Hypomorphic Risk Haplotype in TBX6 Causes Congenital Scoliosis.

    Science.gov (United States)

    Takeda, Kazuki; Kou, Ikuyo; Kawakami, Noriaki; Iida, Aritoshi; Nakajima, Masahiro; Ogura, Yoji; Imagawa, Eri; Miyake, Noriko; Matsumoto, Naomichi; Yasuhiko, Yukuto; Sudo, Hideki; Kotani, Toshiaki; Nakamura, Masaya; Matsumoto, Morio; Watanabe, Kota; Ikegawa, Shiro

    2017-03-01

    Congenital scoliosis (CS) occurs as a result of vertebral malformations and has an incidence of 0.5-1/1,000 births. Recently, TBX6 on chromosome 16p11.2 was reported as a disease gene for CS; about 10% of Chinese CS patients were compound heterozygotes for rare null mutations and a common haplotype defined by three SNPs in TBX6. All patients had hemivertebrae. We recruited 94 Japanese CS patients, investigated the TBX6 locus for both mutations and the risk haplotype, examined transcriptional activities of mutant TBX6 in vitro, and evaluated clinical and radiographic features. We identified TBX6 null mutations in nine patients, including a missense mutation that had a loss of function in vitro. All had the risk haplotype in the opposite allele. One of the mutations showed dominant negative effect. Although all Chinese patients had one or more hemivertebrae, two Japanese patients did not have hemivertebra. The compound heterozygosity of null mutations and the common risk haplotype in TBX6 also causes CS in Japanese patients with similar incidence. Hemivertebra was not a specific type of spinal malformation in TBX6-associated CS (TACS). A heterozygous TBX6 loss-of-function mutation has been reported in a family with autosomal-dominant spondylocostal dysostosis, but it may represent a spectrum of the same disease with TACS. © 2017 WILEY PERIODICALS, INC.

  7. Dental erosion among children aged 3-6 years and its associated indicators.

    Science.gov (United States)

    Tao, Dan-Ying; Hao, Gu; Lu, Hai-Xia; Tian, Yu; Feng, Xi-Ping

    2015-01-01

    To analyze the status quo of dental erosion in 3- to 6-year-old children in Shanghai. A stratified, cluster, multistage random sampling methods was applied to 3- to 6-year-old children in Shanghai in 2012. Both questionnaire and clinical oral examination were performed in the survey. The questionnaire included general information, such as age, gender, parental education, dietary habit, oral health behavior, general medical health, and socioeconomic status. The clinical examination focused on the eroded tooth surface and dental erosion extent. SPSS v19.0 software package was utilized for statistical analysis. A total of 1,837 children aged 3-6 years were randomly selected in Shanghai. The overall dental erosion prevalence was 15.1 percent. Among different age groups, a relatively high prevalence of 17.1 percent was found in the 4-year-old group, and a relatively low prevalence of 12.0 percent was observed in the 3-year-old group. Surprisingly, there was no significant difference among the four age groups. The occurrence of dental erosion was influenced by habits of vinegar/coffee/tea consumption, mother's educational background, birthplace, and regurgitation (P dental erosion prevalence in 3- to 6-year-old children in Shanghai appears to be close to that of other Chinese provinces as well as that observed in most of surveys carried out in different parts of the world. Efforts should be made to raise public awareness about the disease. Moreover, further studies targeted to explore the relationship between dental erosion and risk factors are needed. It is also necessary to establish a unified diagnostic standard for future epidemiological investigations. © 2015 American Association of Public Health Dentistry.

  8. Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6cadmate(II dihydrate

    Directory of Open Access Journals (Sweden)

    Najmeh Firoozi

    2008-10-01

    Full Text Available In the title compound, (C4H14N2[Cd(C7H3NO42]·2H2O, the CdII ion is coordinated by four O atoms [Cd—O = 2.2399 (17–2.2493 (17 Å] and two N atoms [Cd—N = 2.3113 (15 and 2.3917 (15 Å] from two tridentate pyridine-2,6-dicarboxylato ligands in a distorted octahedral geometry. The uncoordinated water molecules are involved in O—H...O and N—H...O hydrogen bonds, which contribute to the formation of a three-dimensional supramolecular structure, along with π–π stacking interactions [centroid–centroid distances of 3.5313 (13 and 3.6028 (11 Å between the pyridine rings of neighbouring dianions].

  9. Unstable Simple Volatiles and Gas Chromatography-Tandem Mass Spectrometry Analysis of Essential Oil from the Roots Bark of Oplopanax Horridus Extracted by Supercritical Fluid Extraction

    Directory of Open Access Journals (Sweden)

    Li Shao

    2014-11-01

    Full Text Available Volatile oil from the root bark of Oplopanax horridus is regarded to be responsible for the clinical uses of the title plant as a respiratory stimulant and expectorant. Therefore, a supercritical fluid extraction method was first employed to extract the volatile oil from the roots bark of O. horridus, which was subsequently analyzed by GC/MS. Forty-eight volatile compounds were identified by GC/MS analysis, including (S,E-nerolidol (52.5%, τ-cadinol (21.6% and S-falcarinol (3.6%. Accordingly, the volatile oil (100 g was subjected to chromatographic separation and purification. As a result, the three compounds, (E-nerolidol (2 g, τ-cadinol (62 mg and S-falcarinol (21 mg, were isolated and purified from the volatile oil, the structures of which were unambiguously elucidated by detailed spectroscopic analysis including 1D- and 2D-NMR techniques.

  10. Brief communication: ikaite (CaCO3*6H2O) discovered in Arctic sea ice

    Science.gov (United States)

    Dieckmann, G. S.; Nehrke, G.; Uhlig, C.; Göttlicher, J.; Gerland, S.; Granskog, M. A.; Thomas, D. N.

    2010-02-01

    We report for the first time on the discovery of calcium carbonate crystals as ikaite (CaCO3*6H2O) in sea ice from the Arctic (Kongsfjorden, Svalbard). This finding demonstrates that the precipitation of calcium carbonate during the freezing of sea ice is not restricted to the Antarctic, where it was observed for the first time in 2008. This finding is an important step in the quest to quantify its impact on the sea ice driven carbon cycle and should in the future enable improvement parametrization sea ice carbon models.

  11. Simulation of electrical discharge in a 3.6 Joule miniature plasma focus device using SIMULINK

    International Nuclear Information System (INIS)

    Jafari, H.; Habibi, M.

    2014-01-01

    A novel technique has been developed and studied in this paper to simulate the electrical discharge circuit of a 3.6 J miniature plasma focus device (PFD) and investigate the effect of inductance variation on voltage spike and current dip. The technique is based on a correlation between the electrical discharge circuit and plasma dynamics in a very small PFD that operates at the energy of 3.6 J. The simulation inputs include the charging voltage, capacitor bank capacitance, current limiter resistance, bypass resistance as well as the time-dependent inductance and resistance of the plasma sheath which are calculated by assuming the plasma dynamics as transit times in going from one phase to the next. The variations of the most important elements in the circuit (i.e. the constant and breakdown inductances) and their effects on the current dip are studied in PFDs with low and high constant inductance. The model demonstrated for achieving a good pinch in the PFD, although the total inductance of the system should be low; however there is always an optimum inductance which causes an appropriate pinch. Furthermore, the electrical power produced by the pulsed power supply, the mechanical energy as well as the magnetic energy which are transferred into the plasma tube were obtained from simulation. The graph of electrical power demonstrated a high instantaneous increment in the power transferred into the plasma as one of the greatest advantages of the pulsed power supply. The simulation was performed using software tools within the MATLAB/SIMULINK simulation environment. The PFD, generating neutrons in the range of 10 6 to 10 10 neutrons per pulse will have substantial use in the physics and engineering applications. (authors)

  12. Physiological profile of a professional boxer preparing for Title Bout: A case study.

    Science.gov (United States)

    Halperin, Israel; Hughes, Steven; Chapman, Dale W

    2016-10-01

    This study aimed to (1) profile a professional boxer (23 years and 80 kg) with boxing-specific, muscle function, aerobic capacity and body composition tests, and (2) quantify how these measures varied during an 8-week preparation phase leading to, and post a state-Title Bout fought in the 76.2-kg class. A series of boxing-specific and muscle function tests were completed on 11 occasions: 9 prior and twice after the bout, each separated by approximately 2 weeks. The boxing test included 36 maximal punches (9 of each: lead and rear straights, lead and rear hooks) to a punching integrator measuring forces and velocity. Muscle function tests included countermovement jump, drop-jumps, isometric mid-thigh pull and isometric bench-press. Body composition was assessed using skin-fold measurements on three occasions and one dual energy X-ray absorptiometry scan. Aerobic capacity was assessed using 2 VO2 max tests. Leading up to the bout, performance decreased in isometric mid-thigh pull (8%), isometric bench-press (5%), countermovement jump (15%) and impact forces in 3 of 4 punches (4%-7%). Whereas measures of dynamic and isometric muscle function remained depressed or unchanged post competition, punching forces (6%-15%) and aerobic power (6%) increased. Data suggest the athlete may have super-compensated following rest as fatigue dissipated and further adaptation occurred.

  13. Guide to data preparation for EQ3/6 (Wolery) modified for the IBM 3033

    International Nuclear Information System (INIS)

    Noy, D.J.

    1981-11-01

    The ability to predict mineral-fluid equilibria is an important aspect of geochemical research into radioactive waste disposal. The interaction of ground waters and waste leachates with the host rock of a disposal site, either at elevated or ambient temperatures, will influence the performance of the disposal system. The EQ3/6 package (Wolery, 1979) provides a technique for the prediction of such interactions using available thermodynamic data, and for extrapolating laboratory experimental data on rock-fluid equilibria. This report describes the modifications performed on this package to allow operation on an IBM machine, and is intended as a guide to data preparation for the programmes. (author)

  14. Probing the central engine and environment of AGN using ARIES 1.3-m and 3.6-m telescopes

    Science.gov (United States)

    Chand, Hum; Rakshit, Suvendu; Jalan, Priyanka; Ojha, Vineet; Srianand, Raghunathan; Vivek, Mariappan; Mishra, Sapna; Omar, Amitesh; Kumar, Parveen; Joshi, Ravi; Gopal-Krishna; Kumar, Rathna

    2018-04-01

    We discuss three long term observational programmes to probe the central engine and environment of active galactic nuclei (AGN) using the recently installed ARIES 1.3-m and 3.6-m telescopes. The first programme is on the photometric reverberation mapping of low luminosity AGN by mainly using the ARIES 1.3-m telescope. The major impact of this programme other than to estimate the black hole mass will be to extend the broad line region (BLR) radius-luminosity (RBLR-LAGN) relation to the unexplored low luminosity regime, and to constrain the AGN broad line region geometry. The second programme is to use long slit spectroscopy on the ARIES 3.6-m telescope to discover new high redshift quasar pairs with angular separation less than 1-arcmin. Here, the background QSOs sight-line will be used to probe the environment of the foreground QSOs at kpc-Mpc scales. The major impact of this programme will be on the discovery of new pairs which have been missed in the SDSS survey due to fiber collision below 1-arcmin separation, and use them to understand about any excess overdensity around the QSO, any anisotropic emission of QSOs, and/or any episodic activity of QSOs. The third programme is related to spectral variability studies of the C IV broad absorption line (BAL) QSOs, based on low resolution spectroscopy using the ARIES 3.6-m telescope. Here, those most interesting cases will be monitored, where the BAL flow emerges afresh or disappears completely in the C IV trough of BAL QSOs sample as seen in SDSS multi-epoch observations. Continuous monitoring of such a sample will be important for our understanding of the nature and origin of the flow, along with their stability and dynamical evolution.

  15. Photo-oxidation of 6-thioguanine by UVA: the formation of addition products with low molecular weight thiol compounds.

    Science.gov (United States)

    Ren, Xiaolin; Xu, Yao-Zhong; Karran, Peter

    2010-01-01

    The thiopurine, 6-thioguanine (6-TG) is present in the DNA of patients treated with the immunosuppressant and anticancer drugs azathioprine or mercaptopurine. The skin of these patients is selectively sensitive to UVA radiation-which comprises >90% of the UV light in incident sunlight-and they suffer high rates of skin cancer. UVA irradiation of DNA 6-TG produces DNA lesions that may contribute to the development of cancer. Antioxidants can protect 6-TG against UVA but 6-TG oxidation products may undergo further reactions. We characterize some of these reactions and show that addition products are formed between UVA-irradiated 6-TG and N-acetylcysteine and other low molecular weight thiol compounds including β-mercaptoethanol, cysteine and the cysteine-containing tripeptide glutathione (GSH). GSH is also adducted to 6-TG-containing oligodeoxynucleotides in an oxygen- and UVA-dependent nucleophilic displacement reaction that involves an intermediate oxidized 6-TG, guanine sulfonate (G(SO3) ). These photochemical reactions of 6-TG, particularly the formation of a covalent oligodeoxynucleotide-GSH complex, suggest that crosslinking of proteins or low molecular weight thiol compounds to DNA may be a previously unrecognized hazard in sunlight-exposed cells of thiopurine-treated patients. © 2010 The Authors. Journal Compilation. The American Society of Photobiology.

  16. Crystal structure of {μ-6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene]diphenolato}(methanol(nitratonickel(IIsodium

    Directory of Open Access Journals (Sweden)

    Olesia V. Moroz

    2014-11-01

    Full Text Available In the molecular structure of the title compound, [NaNi(C18H18N2O4(NO3(CH3OH], the Ni2+ ion has a slightly distorted square-planar coordination environment defined by two N and two O atoms which belong to a Schiff base ligand, viz. 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene]diphenolate. Seven O atoms form the coordination environment of the Na+ ion: four from the Schiff base ligand, two from a bidentate chelating nitrate anion and one O atom from a coordinating methanol molecule. In the crystal, the bimetallic complexes are assembled into chains along the b-axis direction via weak C—H...O hydrogen-bond interactions. Neighbouring chains are in turn connected through bifurcated O—H...O hydrogen bonds that involve the coordinating methanol molecules and the nitrate anions, and through π–π stacking interactions between phenyl rings of neighbouring molecules.

  17. 24 CFR 202.11 - Title I.

    Science.gov (United States)

    2010-04-01

    ... in 24 CFR 25.5. Civil money penalties may be imposed against Title I lenders and mortgagees pursuant... unacceptable risk to the Department; or (iv) Transfer of a Title I loan to a party that does not have a valid...

  18. The Carnegie Hubble Program: The Leavitt Law at 3.6 microns and 4.5 microns in the Large Magellanic Cloud

    Science.gov (United States)

    Scowcroft, Victoria; Freedman, Wendy L.; Madore, Barry F.; Monson, Andrew J.; Persson, S. E.; Seibert, Mark; Rigby, Jane R.; Sturch, Laura

    2011-01-01

    The Carnegie Hubble Program (CHP) is designed to improve the extragalactic distance scale using data from the post-cryogenic era of Spitzer. The ultimate goal is a determination of the Hubble constant to an accuracy of 2%. This paper is the first in a series on the Cepheid population of the Large Magellanic Cloud, and focuses on the period-luminosity relations (Leavitt laws) that will be used, in conjunction with observations of Milky Way Cepheids, to set the slope and zero-point of the Cepheid distance scale in the mid-infrared. To this end, we have obtained uniformly-sampled light curves for 85 LMC Cepheids, having periods between 6 and 140 days. Period- luminosity and period-color relations are presented in the 3.6 micron and 4.5 micron bands. We demonstrate that the 3.6 micron band is a superb distance indicator. The cyclical variation of the [3.6]-[4.5] color has been measured for the first time. We attribute the amplitude and phase of the color curves to the dissociation and recombination of CO molecules in the Cepheid s atmosphere. The CO affects only the 4.5 micron flux making it a potential metallicity indicator.

  19. N-(2,4,6-Trimethylphenylformamide

    Directory of Open Access Journals (Sweden)

    David C. Liles

    2011-01-01

    Full Text Available The title compound, C10H13NO, was obtained as the unexpected, almost exclusive, product in the attempted synthesis of a manganese(I–N-heterocyclic carbene (NHC complex. The dihedral angle between the planes of the formamide moiety and the aryl ring is 68.06 (10°. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming infinite chains along the c axis.

  20. Synthesis of (+)-(3R)-3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-[5,6,7,8,12,13-u-14C]carbazoleppropanoic acid, [14C]BAY u 3405

    International Nuclear Information System (INIS)

    Radtke, M.; Boberg, M.; Pleiss, U.; Rosentreter, U.

    1994-01-01

    The title compound [ 14 C]BAY u 3405 (1) was synthesized as part of 8-step sequence. Starting from [U- 14 C]aniline hydrogensulfate the final product 1 was obtained with a specific activity of 741 MBq/mmol (20 mCi/mmol) and a radiochemical purity of > 98 % in an overall yield of 6 and 10 % depending on the method. (author)

  1. [Research on source profile of aerosol organic compounds in leather plant].

    Science.gov (United States)

    Wang, Bo-Guang; Zhou, Yan; Feng, Zhi-Cheng; Liu, Hui-Xuan

    2009-04-15

    Through investigating current air pollution condition for PM10 in every factories of different style leather plants in Pearl River Delta, characteristic profile of semi-volatile organic compounds in PM10 emitted from leather factories and their contents were researched by using ultrasonic and gas chromatography and mass spectrum technology. The 6 types of organic compounds containing 46 species in total were found in the collected samples, including phenyl compounds, alcohols, PAHs, acids, esters and amides. The concentrations of PM10 in leather tanning plant, leather dying plant and man-made leather plant were 678.5, 454.5, 498.6 microgm x m(-3) respectively, and concentration of organic compounds in PM10 were 10.04, 6.89, 14.21 microg x m(-3) in sequence. The more important type of pollutants in each leather plants had higher contribution to total organic mass as follows, esters and amides in tanning plants profile account for 43.47% and 36.51% respectively; esters and alcohols in dying plants profiles account for 52.52% and 16.16% respectively; esters and amide in man-made leather plant have the highest content and account for 57.07% and 24.17% respectively. In the aerosol organic source profiles of tested leather plants, 9-octadecenamide was the abundant important species with the weight of 26.15% in tanning plant, and Bis(2-ethylhexyl) phthalate was up to 44.19% in the dying plant, and Bis(2-ethylhexyl) maleate and 1-hydroxy-piperidine had obviously higher weight in man-made plant than the other two plants.

  2. Bis{6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(iminomethylene]diphenolato(1.5−-κ4O,N,N′,O′}praeseodymium(III

    Directory of Open Access Journals (Sweden)

    Da-Qi Wang

    2009-02-01

    Full Text Available The title compound, [Pr(C18H22.5N2O42], is isotypic with its Er and Tb analogues. All interatomic distances, angles and the hydrogen bond geometry are very similar for the three structures..

  3. Detection of atherosclerotic lesions and intimal macrophages using CD36-targeted nanovesicles.

    Science.gov (United States)

    Nie, Shufang; Zhang, Jia; Martinez-Zaguilan, Raul; Sennoune, Souad; Hossen, Md Nazir; Lichtenstein, Alice H; Cao, Jun; Meyerrose, Gary E; Paone, Ralph; Soontrapa, Suthipong; Fan, Zhaoyang; Wang, Shu

    2015-12-28

    Current approaches to the diagnosis and therapy of atherosclerosis cannot target lesion-determinant cells in the artery wall. Intimal macrophage infiltration promotes atherosclerotic lesion development by facilitating the accumulation of oxidized low-density lipoproteins (oxLDL) and increasing inflammatory responses. The presence of these cells is positively associated with lesion progression, severity and destabilization. Hence, they are an important diagnostic and therapeutic target. The objective of this study was to noninvasively assess the distribution and accumulation of intimal macrophages using CD36-targeted nanovesicles. Soy phosphatidylcholine was used to synthesize liposome-like nanovesicles. 1-(Palmitoyl)-2-(5-keto-6-octene-dioyl) phosphatidylcholine was incorporated on their surface to target the CD36 receptor. All in vitro data demonstrate that these targeted nanovesicles had a high binding affinity for the oxLDL binding site of the CD36 receptor and participated in CD36-mediated recognition and uptake of nanovesicles by macrophages. Intravenous administration into LDL receptor null mice of targeted compared to non-targeted nanovesicles resulted in higher uptake in aortic lesions. The nanovesicles co-localized with macrophages and their CD36 receptors in aortic lesions. This molecular target approach may facilitate the in vivo noninvasive imaging of atherosclerotic lesions in terms of intimal macrophage accumulation and distribution and disclose lesion features related to inflammation and possibly vulnerability thereby facilitate early lesion detection and targeted delivery of therapeutic compounds to intimal macrophages. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Ethyl 3-[7-eth­oxy-6-(4-meth­oxy­benzene­sulfonamido)-2H-indazol-2-yl]propano­ate

    Science.gov (United States)

    Abbassi, Najat; Oulemda, Bassou; Rakib, El Mostapha; Geffken, Detlef; Zouihri, Hafid

    2012-01-01

    In the title compound, C21H25N3O6S, the dihedral angle between the meth­oxy­benzene and indazole rings is 74.96 (5)°. The crystal packing is stabilized by an N—H⋯O hydrogen bond into a two-dimensional network. In addition, C—H⋯π inter­actions and a π–π contact, with a centroid–centroid distance of 3.5333 (6) Å, are observed. The crystal packing is stabilized by N—H⋯O and C—H⋯O hydrogen bonds. PMID:22589994

  5. How property title impacts urban consolidation

    DEFF Research Database (Denmark)

    Easthope, Hazel; Warnken, Jan; Sherry, Cathy

    2014-01-01

    Continuing urbanisation is triggering an increase in multi-titled housing internationally. This trend has given rise to a substantial research interest in the social consequences of higher density living. Little enquiry, however, has been directed to examining how property title subdivisions gene...

  6. Total cross section for hadron production by e+e--annihilation at center of mass energies between 3.6 and 5.2 GeV

    International Nuclear Information System (INIS)

    Brandelik, R.; Braunschweig, W.; Ludwig, J.; Mess, K.H.; Orito, S.; Suda, T.; Tokyo Univ.

    1978-03-01

    The total cross section for e + e - annihilation into hadronic final states between 3.6 and 5.2 GeV was measured by the nonmagnetic inner detector of DASP, which has similar trigger and detection efficeincies for photons and charged particles. The measured difference in R = sigmasub(had)/sigmasub(μμ) between 3.6 GeV and 5.2 GeV is ΔR = 2.1 +- 0.3. We observe three peaks at cm energies of 4.04, 4.16 and 4.417 GeV, the parameters of which, when interpreted as resonances, are given. (orig.) [de

  7. A study on magnetoelastic properties of Tb3 (Fe28-xCox) V1.0 (x=0, 3, 6) compounds

    International Nuclear Information System (INIS)

    Gholizadeh, A.; Tajabor, N.; Pourarian, F.

    2012-01-01

    In this work, The magnetoelastic properties of polycrystalline samples of Tb 3 (Fe 28-x Co x ) V 1.0 (x=0, 3, 6) intermetallic compounds are investigated by means of linear thermal expansion and magnetostriction measurements in the temperature range of 77-515 K under applied magnetic fields up to 1.5 T. The linear thermal expansion increases with the Co content. The well-defined anomalies observed in the linear thermal expansion coefficients for Tb 3 (Fe 28-x Co x ) V 1.0 (x=0, 3, 6) compounds are associated with the magnetic ordering temperature for x=0 and spin reorientation temperatures for x=3, 6. Below transition temperatures, the value of the longitudinal magnetostriction (λ Pa ) at 1.6 T increases with Co content.

  8. Synthesis, Characterization, Tautomeric Structure and Solvatochromic Behavior of Novel 4-(5-Arylazo-2-Hydroxystyryl-1-Methylpyridinium Iodide as Potential Molecular Photoprobe

    Directory of Open Access Journals (Sweden)

    Farag Altalbawy

    2016-12-01

    Full Text Available A novel series of the title compound 4-(5-arylazo-2-hydroxystyryl-1-methylpyridinium iodide 6 has been synthesized via condensation reactions of the arylazosalicylaldehyde derivatives 4a–i with 1-methyl-picolinium iodide 5. The structures of the new arylazo compounds were characterized by 1H NMR, IR, mass spectroscopy, as well as spectral and elemental analyses. The electronic absorption spectra of arylazomerocyanine compounds 6 were measured in different buffer solutions and solvents. The pK′s and pK*′s in both the ground and excited states, respectively, were determined for the series and their correlations with the Hammett equation were examined. The results indicated that the title arylazomerocyanine dyes 6 exist in the azo form 6A in both ground and excited states. The substituent and solvent effects (solvatochromism of the title compound arylazomerocyanine dyes were determined using the Kamlet-Taft equation and subsequently discussed.

  9. Structural stability of ternary C22–Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds

    International Nuclear Information System (INIS)

    Colinet, Catherine; Crivello, Jean-Claude; Tedenac, Jean-Claude

    2013-01-01

    The crystal and electronic structures, and the thermodynamic properties of Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu) ternary compounds in the Fe 2 P-type structure have been investigated by means of first principle calculations. The calculated structural parameters are in good agreement with the experimental data. The total electronic densities of states as well as the Bader charges of the atoms have been computed. Both electronic and size effects allow to explain the stability of the ternary Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu) compounds. - Graphical abstract: Valence charge electronic localization function (ELF) calculated for Zr 6 Sb 2 Co compound. Display Omitted - Highlights: • Structural stability of Zr 6 X 2 T′ compounds (X: p element, T′: late transition metal) in the Fe 2 P-type structure. • First principles calculation of lattice parameters and enthalpies of formation. • Electronic densities of state in the series Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu). • Electronic densities of state in the series Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te)

  10. 2-Acetylamino-1,3,4,6-tetra-O-(trimethylsilyl-2-deoxy-α-d-glucopyranose

    Directory of Open Access Journals (Sweden)

    Zhao-Dong Cheng

    2013-06-01

    Full Text Available The title compound, C20H47NO6Si4, was synthesized by per-O-trimethylsilylation of N-acetyl-d-glucosamine using chlorotrimethylsilane in the presence of hexamethyldisiloxane. The trimethylsilyl group and acetamido group are located on the same side of the pyran ring, showing an α-configuration glycoside. One of the trimethylsilyl groups is disordered over two orientations, with site-occupancy factors of 0.625 (9 and 0.375 (9. In the crystal, N—H...O hydrogen bonds link the molecules into supramolecular chains along the a-axis direction.

  11. 4,6-Dichloro-2-((E-{4-[(E-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methylphenol

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2012-07-01

    Full Text Available The asymmetric unit of the title compound, C18H16Cl4N2O2, comprises half of a potentially tetradentate Schiff base ligand. It is located about a twofold rotation axis that bisects the central C—C bond of the butane-1,4-diamine group. There are two intramolecular O—H...N hydrogen bonds making S(6 ring motifs. In the crystal, molecules are linked by pairs of weak C—H...Cl interactions, forming inversion dimers, which are further connected by C—H...O hydrogen bonds into two-dimensional frameworks that lie parallel to (001.

  12. Ethyl 4,6-O-benzylidene-2-deoxy-N-phthalimido-1-thio-β-d-glucopyranoside

    Directory of Open Access Journals (Sweden)

    Göran Widmalm

    2010-12-01

    Full Text Available In the title compound, C23H23NO6S, the plane of the N-phthalimido group makes a dihedral angle of 67.4 (1° with the least square plane of the sugar ring defined by the C2, C3, C5 and O5 atoms using standard glucose nomenclature. The thioethyl group has the exo-anomeric conformation. In the crystal, intermolecular hydrogen bonds involving the hydroxy groups and the carbonyl O atoms of adjacent N-phthalimido groups form chains parallel to the b axis. The chains are further stabilized by C—H...π interactions.

  13. Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid

    Science.gov (United States)

    Kavimani, M.; Balachandran, V.; Narayana, B.; Vanasundari, K.; Revathi, B.

    2018-02-01

    Experimental FT-IR and FT-Raman spectra of 2-methylphenylacetic acid (MPA) were recorded and theoretical values are also analyzed. The non-linear optical (NLO) properties were evaluated by determination of first (5.5053 × 10- 30 e.s.u.) and second hyper-polarizabilities (7.6833 × 10- 36 e.s.u.) of the title compound. The Multiwfn package is used to find the weak non-covalent interaction (Van der Wall interaction) and strong repulsion (steric effect) of the molecule and examined by reduced density gradient. The molecular electrostatic potential (MEP) analysis used to find the most reactive sites for the electrophilic and nucleophilic attack. The chemical activity (electronegativity, hardness, chemical softness and chemical potential) of the title compound was predicted with the help of HOMO-LUMO energy values. The natural bond orbital (NBO) has been analyzed the stability of the molecule arising from the hyper-conjugative interaction. DSSCs were discussed in structural modifications that improve the electron injection efficiency of the title compound (MPA). The Fukui functions are calculated in order to get information associated with the local reactivity properties of the title compound. The binding sites of the two receptors were reported by molecular docking field and active site bond distance is same 1.9 Å. The inhibitor of the title compound forms a stable complex with 1QYV and 2H1K proteins at the binding energies are - 5.38 and - 5.85 (Δ G in kcal/mol).

  14. The ties that bind: what's in a title?

    Science.gov (United States)

    Neuhaus, Susan J

    2018-03-01

    Many Australian and New Zealand surgeons use the title 'Mister' rather than 'Doctor', a practice dating back to traditions established over 600 years ago. The Royal Australasian College of Surgeons is currently undergoing a period of critical self-reflection, embodied by its 'Respect' campaign. Active measures to embrace diversity and encourage women into surgery are underway. This paper reviews the historical basis to the use of gendered titles and their current use amongst fellows. De-identified demographic data from the college register of active fellows was searched by self-identified title, country or state, and gender. Data were further reviewed by surgical sub-specialty and year of fellowship. The college dataset suggests that there is significant variance in the preference for gendered titles, determined predominantly by geography rather than specialty. The highest use of gendered titles (by male and female surgeons) was in Victoria/Tasmania (58% male, 22% female) and New Zealand (81% male, 17% female). By contrast, only 2% of female surgeons in other states elected a gendered title (Miss/Mrs/Ms). Surgery is the only profession that continues to use gendered titles. As the College of Surgeons moves towards greater equity and diversity, consideration should be given to phasing out the use of gendered titles, which serve to divide rather than unite our profession. © 2017 Royal Australasian College of Surgeons.

  15. Et2NH2C6H3(CO23SnBr2.4H2O: SYNTHESIS AND INFRARED STUDY

    Directory of Open Access Journals (Sweden)

    DAOUDA NDOYE

    2014-01-01

    Full Text Available The title compound has been obtained on allowing [C6H3(CO23(Et2NH23] to react with SnBr4. The molecular structure of Et2NH2C6H3(CO23SnBr2.4H2O has been determined on the basis of the infrared data. The suggested structure is a dimer in which each tin atom is hexacoordinated by two chelating C6H3(CO233- anions and two Br atoms. Cy2NH2+cations are involved through hydrogen bonds with non-coordinating CO2 groups. The suggested structure is a cage.

  16. DFT and experimental studies on structure and spectroscopic parameters of 3,6-diiodo-9-ethyl-9H-carbazole

    DEFF Research Database (Denmark)

    Radula-Janik, Klaudia; Kupka, Teobald; Ejsmont, Krzysztof

    2016-01-01

    The first report on crystal and molecular structure of 3,6-diiodo-9-ethyl-9H-carbazole is presented. Experimental room-temperature X-ray and 13C chemical shift studies were supported by advanced theoretical calculations using density functional theory (DFT). The 13C nuclear magnetic shieldings were...... predicted at the non-relativistic and relativistic level of theory using the zeroth-order regular approximation (ZORA). Theoretical relativistic calculations of chemical shifts of carbons C3 and C6, directly bonded to iodine atoms, produced a reasonable agreement with experiment (initial deviation from...

  17. Crystal structure of the borabenzene–2,6-lutidine adduct

    Directory of Open Access Journals (Sweden)

    Lauri Kivijärvi

    2015-12-01

    Full Text Available In the title compound, C12H14BN, the complete molecule is generated by a crystallographic twofold axis, with two C atoms, the B atom and the N atom lying on the rotation axis. The dihedral angle between the borabenzene and pyridine rings is 81.20 (6°. As well as dative electron donation from the N atom to the B atom [B—N = 1.5659 (18 Å], the methyl substituents on the lutidine ring shield the B atom, which further stabilizes the molecule. In the crystal, weak aromatic π–π stacking between the pyridine rings [centroid–centroid separation = 3.6268 (9 Å] is observed, which generates [001] columns of molecules.

  18. An alkaline tin(II) halide compound Na{sub 3}Sn{sub 2}F{sub 6}Cl: Synthesis, structure, and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Pifu [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Luo, Siyang [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Huang, Qian; Yang, Yi [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Jiang, Xingxing [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Liang, Fei [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Chen, Chuangtian [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Lin, Zheshuai, E-mail: zslin@mail.ipc.ac.cn [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China)

    2017-04-15

    A new alkali tin(II) halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. This compound crystallizes trigonally in space group of R-3c (167), and processes a zero-dimensional (0D) structure consisted of Na{sup +} cations, Cl{sup −} anions and the isolated [SnF{sub 3}]{sup -} trigonal pyramids in which the stereochemically active 5s{sup 2} lone pair electrons are attached to the Sn{sup 2+} cations. Interestingly, the [SnF{sub 3}]{sup −} trigonal pyramids are parallel arranged in the a-b plane, while oppositely arranged in line with rotation along the c- axis. Moreover, the energy bandgap, thermal stability and electronic structure of Na{sub 3}Sn{sub 2}F{sub 6}Cl are characterized and the results reveal that this compound has and indirect bandgap of 3.88 eV and is stable under 270 °C. - Graphical abstract: A zero-dimensional alkaline tin halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. Interestingly, both the anions and cations coordinating polyhedra exhibit order arranged with the [SnF{sub 3}]{sup -} trigonal pyramids rotating along the c- axis.

  19. 40 CFR 300.220 - Related Title III issues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 27 2010-07-01 2010-07-01 false Related Title III issues. 300.220 Section 300.220 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SUPERFUND, EMERGENCY... PLAN Planning and Preparedness § 300.220 Related Title III issues. Other related Title III requirements...

  20. Bimetallic MOFs (H3O)x[Cu(MF6)(pyrazine)2]·(4 - x)H2O (M = V4+, x = 0; M = Ga3+, x = 1)

    DEFF Research Database (Denmark)

    Manson, Jamie L.; Schlueter, John A.; Garrett, Kerry E.

    2016-01-01

    The title compounds are bimetallic MOFs containing [Cu(pyz)2]2+ square lattices linked by MF6 n- octahedra. In each, only the Cu2+ spins exhibit long-range magnetic order below 3.5 K (M = V4+) and 2.6 K (M = Ga3+). The V4+ spins remain disordered down to 0.5 K....