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Sample records for 4 6 8

  1. Effects of 6/6 and 4/8 watch systems on sleepiness among bridge officers.

    PubMed

    Härmä, Mikko; Partinen, Markku; Repo, Risto; Sorsa, Matti; Siivonen, Pertti

    2008-04-01

    During the last ten years, severe sleepiness or falling asleep by watch keeping officers has been a direct or a contributing factor in a number of maritime accidents. This study examined the relationship between two watch systems and its impact on fatigue and sleepiness in bridge officers. A questionnaire and a sleep/work diary were sent to a representative sample of the Finnish Maritime Officer Association. In all, 185 bridge officers answered the questionnaire on sleep, work hours, and safety, including the Skogby Excessive Daytime Sleepiness index (SEDS); 42% of the bridge officers worked two 4 h watches (4/8) per day, while 26% worked two 6 h watches per day (6/6). Ninety-five of the participants completed a sleep diary for seven consecutive days while at sea. The timing of the watch duties and sleep was recorded, as was subjective sleepiness every 2 h using the Karolinska Sleepiness Scale (KSS). 17.6% of the participants had fallen asleep at least once while on duty during their career. Compared to the 4/8 watch system, the officers working the 6/6 watch system reported shorter sleep durations, more frequent nodding-off on duty (7.3% vs. 1.5%), and excessive sleepiness (32% vs. 16% with SEDS>14). Based on a logistic regression analysis, high SEDS was significantly related with probable obstructive sleep apnea (OR 5.7), the 6/6 watch system (OR 4.0), and morningness-eveningness while controlling simultaneously several individual and sleep-related factors. Subjective sleepiness (KSS) was highest at 04:00 and 06:00 h. In a multivariate analysis, the KSS was significantly related to time of day, time after awaking, sleep length, and interactions of the watch systems with age, morningness-eveningness, and Epworth sleepiness scale (ESS) score. Severe sleepiness at 04:00-06:00 h was especially problematic in the 6/6 watch system among evening types and among the bridge officers with high ESS. The results suggest the 6/6 watch system is related to a higher risk of

  2. Summary of External Peer Review and Public Comments and Disposition for 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8,-hexamethylcyclopenta[γ]-2-benzopyran (HHCB)

    EPA Pesticide Factsheets

    This document summarizes the public and external peer review comments that the EPA’s Office of Pollution Prevention and Toxics (OPPT) received for the draft work plan risk assessment for 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta--2-benzopyran

  3. 6,8-Di-bromo-4-oxo-4H-chromene-3-carbaldehyde.

    PubMed

    Ishikawa, Yoshinobu

    2014-04-01

    In the title compound, C10H4Br2O3, the atoms of the 6,8-di-bromo-chromone unit are essentially coplanar [largest deviation from the mean planes = 0.1109 (3) Å] and the formyl group is twisted slightly with respect to the attached ring [C-C-C-O torsion angles = 11.5 (4) and -168.9 (3)°]. In the crystal, mol-ecules are linked to each other through halogen bonds [Br⋯O = 3.118 (2) Å, C-Br⋯O = 162.37 (8) and C=O⋯Br = 140.20 (15)°]. The molecules are further assembled via π-π stacking interactions [centroid-centroid distance = 3.850 (2) Å].

  4. IR, FT-ICR-MS studies on (1'S, 6'S)-1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0] non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride salt.

    PubMed

    Lin, Zhiwei

    2014-01-01

    The infrared spectra of (1'S, 6'S)-1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0] non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride salt (CLF-HCl) were studied and compared with free base. Their fragmentation pathways were investigated using tandem mass spectrometric (MS/MS) techniques on Fourier-transform ion cyclotron resonance spectrum, and many characteristic fragment ions were found.

  5. 6-Chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde.

    PubMed

    Ishikawa, Yoshinobu

    2014-05-01

    In the title compound, C10H4ClNO5, the non-H atoms of the 6-chloro-chromone unit are coplanar (r.m.s. deviation = 0.017 Å) with the largest deviation from the mean plane [0.031 (2) Å] being found for the C=O C atom. The nitro group (NO2) is inclined to the chromone unit mean plane by 13.3 (2) °. The formyl group is also twisted with respect to the attached ring [C-C-C-O torsion angles = 10.8 (4) and -171.8 (2)°]. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds forming slab-like networks lying parallel to (-301). The slabs are linked by π-π inter-actions involving the benzene rings of the chromone units [centroid-centroid distance = 3.770 (3) Å].

  6. (4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-2-yl acetate

    PubMed Central

    Oubabi, Radouane; Auhmani, Aziz; Ait Itto, My Youssef; Auhmani, Abdelwahed; Daran, Jean-Claude

    2014-01-01

    The hemisynthesis of the title compound, C22H32O2, was carried out through direct acetyl­ation reaction of the naturally occurring diterpene totarol [systematic name: (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexa­hydro­phen­an­thren-2-ol]. The mol­ecule is built up from three fused six membered rings, one saturated and two unsaturated. The central unsaturated ring has a half-chair conformation, whereas the other unsaturated ring displays a chair conformation. The absolute configuration is deduced from the chemical pathway. The value of the Hooft parameter [−0.10 (6)] allowed this absolute configuration to be confirmed. PMID:24765017

  7. Synthesis and bioactivities of 6,7,8-trimethoxy-N-aryl-4-aminoquinazoline derivatives.

    PubMed

    Liu, Gang; Hu, De-Yu; Jin, Lin-Hong; Song, Bao-An; Yang, Song; Liu, Ping-Shen; Bhadury, Pinaki S; Ma, Yao; Luo, Hui; Zhou, Xian

    2007-10-15

    A series of 4-aminoquinazoline derivatives is prepared by the nucleophilic substitution reaction of 6,7,8-trimethoxy-4-chloroquinazoline and aryl amine. The structures of the compounds are confirmed by elemental analysis, IR, and (1)H NMR spectral data. The compounds are also evaluated for their ability to inhibit tumor cells PC3, A431, Bcap-37, and BGC823 by MTT assays. Among them, 6b and 6e are found as potent inhibitors, with IC(50) values ranging from 5.8 to 9.8microM, in vitro assay.

  8. Fate of 3-tert-Butyl-4-hydroxyanisole, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8- hexamethylcyclopenta(g)-2-benzopyrane and chlorpyrifos in a Conventional Wastewater Treatement Plant

    NASA Astrophysics Data System (ADS)

    Thomas, S. M.; Bodour, A.; Inniss, E. C.; Murray, K. E.

    2007-12-01

    Emerging contaminants (ECs) are a major concern in the environment, particularly those found in waters. Wastewater treatment plants (WWTPs) play a key role in reducing the concentrations in the environment because compounds may be transformed under either aerobic or anaerobic conditions or may sorb to wastewater sludges and therefore be removed from waters. If these ECs are not contained or treated then effluent discharged from the WWTP and to a receiving stream may contain hazardous levels of these contaminants. Reported here is a study of the fate of three emerging contaminants (ECs): 3-tert-Butyl-4-hydroxyanisole (BHA), 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-benzopyrane (HHCB) and chlorpyrifos. Experiments were conducted on a laboratory scale by emulating conditions of a conventional WWTP in San Antonio, TX. The goal of the research was to determine general characteristics for both sorption (to wastewater sludges) and degradation. The sorption experiments were performed by exposing the sludge to a variety of initial concentration of ECs for 24 hours. After exposure these three ECs were extracted and analyzed using gas chromatography followed by flame ionization detector (GC/FID). Sorption experiments indicated that HHCB and chlorpyrifos are more hydrophobic than BHA and, therefore, would be mostly contained in the sludges. The degradation rates for these ECs were also considered for both aerobic and anaerobic conditions using different bench-scale reactor setups for 21 days. The differences between the reactor setups included volume of reactor, amount of sludge, mode of supply of nutrients and acclimatization of sludge to the ECs. One sludge was first acclimated to EC concentrations and then used in the experiment. The acclimated reactor had reaction rate constants approximately double that of the non-acclimated sludge reactor setups and followed first order reaction kinetics. Aerobic degradation occurred more readily for all three compounds

  9. 8 CFR 245a.16 - Continuous physical presence from November 6, 1986, through May 4, 1988.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Continuous physical presence from November 6, 1986, through May 4, 1988. 245a.16 Section 245a.16 Aliens and Nationality DEPARTMENT OF HOMELAND... Equity (LIFE) Act Legalization Provisions § 245a.16 Continuous physical presence from November 6,...

  10. 8 CFR 245a.16 - Continuous physical presence from November 6, 1986, through May 4, 1988.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Continuous physical presence from November 6, 1986, through May 4, 1988. 245a.16 Section 245a.16 Aliens and Nationality DEPARTMENT OF HOMELAND... Equity (LIFE) Act Legalization Provisions § 245a.16 Continuous physical presence from November 6,...

  11. 8 CFR 1236.4 - Removal of S-5, S-6, and S-7 nonimmigrants.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Removal of S-5, S-6, and S-7 nonimmigrants... OF ALIENS ORDERED REMOVED Detention of Aliens Prior to Order of Removal § 1236.4 Removal of S-5, S-6, and S-7 nonimmigrants. (a) Condition of classification. As a condition of classification and...

  12. 8 CFR 245a.16 - Continuous physical presence from November 6, 1986, through May 4, 1988.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Continuous physical presence from November 6, 1986, through May 4, 1988. 245a.16 Section 245a.16 Aliens and Nationality DEPARTMENT OF HOMELAND... Equity (LIFE) Act Legalization Provisions § 245a.16 Continuous physical presence from November 6,...

  13. 8 CFR 245a.16 - Continuous physical presence from November 6, 1986, through May 4, 1988.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false Continuous physical presence from November 6, 1986, through May 4, 1988. 245a.16 Section 245a.16 Aliens and Nationality DEPARTMENT OF HOMELAND... Equity (LIFE) Act Legalization Provisions § 245a.16 Continuous physical presence from November 6,...

  14. 8 CFR 245a.16 - Continuous physical presence from November 6, 1986, through May 4, 1988.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false Continuous physical presence from November 6, 1986, through May 4, 1988. 245a.16 Section 245a.16 Aliens and Nationality DEPARTMENT OF HOMELAND... Equity (LIFE) Act Legalization Provisions § 245a.16 Continuous physical presence from November 6,...

  15. SF6 and C4F8 global kinetic models coupled to sheath models

    NASA Astrophysics Data System (ADS)

    Haidar, Yehya; Pateau, Amand; Rhallabi, Ahmed; Fernandez, Marie Claude; Mokrani, Arezki; Taher, Fadia; Roqueta, Fabrice; Boufnichel, Mohamed

    2014-12-01

    Global kinetic models combined with Monte Carlo sheath models are developed for SF6 and C4F8 plasma discharges for silicon etching under the Bosch process. In SF6 plasma, the dominant positive ions are SF_5+ , SF_4+ , SF_3+ and F+ while in C4F8 the dominant positive ions are CF_3+ and C_2F_3+ . The simulation results show that the electrical parameters, such as the electron density and electron temperature, clearly affect the sheath dynamics and consequently the ion energy distribution function evolutions. In this context, we showed the effects of the operating conditions, such as the pressure and the radiofrequency power, on the electron density and electron temperature evolutions as well as the reactive particle fluxes (neutral and positive ions) involved in the plasma surface interactions for etching/deposition under the Bosch process. Ion energy distribution functions obtained from SF6 and C4F8 plasmas are compared with each other as regards the electrical properties of their associated plasmas. The simulation results show that the bimodal peaks of ion energy distribution functions are wider for SF6 plasma than for C4F8 plasma due to the high sheath thickness of SF6 compared to that of C4F8. This is explained by the low electron density due to the high electronegativity of SF6 in comparison to that of C4F8. The simulations also reveal that the bimodal peak of the ion energy distribution function is wider when the ion mass is low.

  16. 6,8-Di-iodo-4-oxo-4H-chromene-3-carbalde-hyde.

    PubMed

    Ishikawa, Yoshinobu

    2014-05-01

    The title compound, C10H4I2O3, is an iodinated 3-formyl-chromone derivative, and the atoms are essentially coplanar [r.m.s. deviation = 0.049 Å, largest deviation from the least-squares plane = 0.111 (9) Å for the CH(=O) C atom]. In the crystal, mol-ecules are linked into a three-dimensional network through halogen bonds [I⋯O = 3.352 (5) and 3.405 (7) Å, C-I⋯O = 144.2 (3) and 154.5 (3)°, and C=O⋯I = 134.9 (6) and 146.0 (6)°], and π-π stacking inter-actions [centroid-centroid distance = 3.527 (6) Å].

  17. Several (4,4)- and (5,6,8)-connected lanthanide-organic frameworks: structures, luminescence and magnetic properties.

    PubMed

    Zhao, Xiao-Qing; Liu, Xu-Hui; Zhao, Bin

    2013-10-01

    A series of lanthanide-based organic frameworks with formulas of {[PrL(H2O)2]·2H2O}n () and {[Ln3L3(H2O)2]·2H2O}n (Ln = Eu (), Gd (), Tb (), Dy (), Ho (), Er (); H3L = 4-(carboxymethoxy)isophthalic acid), were hydrothermally synthesized and structurally characterized. It is the first time that 4-(carboxymethoxy)isophthalic acid is employed in producing lanthanide compounds. The seven compounds exhibit two types of structures with the decreasing radius of the lanthanide ions, representing the lanthanide contraction effect. Compound with the large Pr(3+) ion displays a 2D layered structure with a binodal (4,4)-connected topology with the Schläfli symbol of (3(3)6(3))2, whereas compounds with small Ln(3+) ions feature a 3D framework constructed from carboxyl groups with a (5,6,8)-connected topology with the Schläfli symbol of (3(2)4(4)5(4))·(3(4)4(4)5(4)6(3))·(3(4)4(8)5(6)6(9)8). The luminescence and magnetic properties were investigated, and the results indicate that the H3L ligand can sensitize the lanthanide luminescence in compounds , and and makes a contribution to the antiferromagnetic interactions in compound or the uncertain magnetic interactions in compounds . Additionally, the thermal analyses suggest the high thermal stability of compounds .

  18. Polarization observables in the elastic scattering of protons from {sup 4,6,8}He

    SciTech Connect

    Crespo, R.; Moro, A. M.

    2007-11-15

    We have calculated the p-{sup 4,6,8}He elastic scattering differential cross section and polarizations at 297 MeV using the Multiple Scattering expansion of the Optical potential (MSO) reaction scattering framework. The role of the core and valence neutrons contribution to the interaction in the description of the elastic scattering observables is analyzed.

  19. The Synthesis of 4,6,8-Trimethylazulene: An Organic Laboratory Experiment.

    ERIC Educational Resources Information Center

    Garst, Michael E.; And Others

    1983-01-01

    A two-stage synthesis of 4,6,8-trimethylazulene was developed for use in the undergraduate experiment, highlighting concepts not usually covered in the laboratory. The experiment requires purification procedures of chromatography and of sublimation and illustrates concepts of aromaticity, molecular orbital theory, and carbodium ion reactivity. (JN)

  20. 8 CFR 236.4 - Removal of S-5, S-6, and S-7 nonimmigrants.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Removal of S-5, S-6, and S-7 nonimmigrants... of Aliens Prior to Order of Removal § 236.4 Removal of S-5, S-6, and S-7 nonimmigrants. (a) Condition... section 101(a)(15)(S) of the Act, nonimmigrants in S classification must have executed Form I-854, Part...

  1. Nqrs Data for C8H6O4 (Subst. No. 1074)

    NASA Astrophysics Data System (ADS)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C8H6O4 (Subst. No. 1074)

  2. A toxicological study of 5,6,7,8 tetrafluoro- 1,4-benzodioxin

    SciTech Connect

    London, J.E.

    1988-05-01

    The acute oral LD/sub 50/ values for 5,6,7,8 tetrafluro-1,4 benzodioxin for mice and rats are less than 5 gkg. According to classical guidelines, the material is considered slightly toxic in both species. The sensitization study in the guinea pig did not show the material to have potential sensitizing properties. Skin application studies on the rabbit demonstrated that it was cutaneously mildly irritating. This material was very mildly irritating in the rabbit eye application studies. 4 refs., 2 tabs.

  3. Syntheses and structures of two new M 6L i8(N 3) a6 cluster-unit based compounds: Cs 4Re 6S 8(N 3) 6·H 2O and Na 2Mo 6Br 8(N 3) 6·2H 2O

    NASA Astrophysics Data System (ADS)

    Pilet, Guillaume; Cordier, Stéphane; Golhen, Stéphane; Perrin, Christiane; Ouahab, Lahcène; Perrin, André

    2003-09-01

    The two new cluster compounds, Cs 4Re 6S 8(N 3) 6·H 2O (1) and Na 2Mo 6Br 8(N 3) 6·2H 2O (2), have been prepared via solution chemistry route, starting from the Cs 4Re 6S 8Br 6CsBr and Mo 6Br 12 precursors synthesized by solid state chemistry techniques, and structurally characterized (crystal data: Cs 4Re 6S 8(N 3) 6·H 2O (1): Orthorhombic, space group Pnam, a=10.0651(1) Å, b=15.8856(2) Å, c=20.1714(3) Å, V=3225.2(7) Å 3, Z=4, dcalc=4.48 g cm -3, μ=27.43 mm -1; Na 2Mo 6Br 8(N 3) 6·2H 2O (2): Orthorhombic, space group Ibam, a=11.5643(3) Å, b=14.3959(5) Å, c=17.0340(7) Å, V=2835.8(2) Å 3, Z=4, dcalc=3.63 g cm -3, μ=13.91 mm -1). Their structures revealed that in both cases, the M 6L i8 cluster core remains unchanged in the starting and final compounds whereas the bromine apical ligands (Br a) are substituted by N 3 azide groups leading to M 6L i8(N 3) a6 cluster unit. The new Cs 4Re 6S 8(N 3) 6·H 2O is the first example of a compound containing an octahedral rhenium cluster coordinated to azide groups.

  4. Nqrs Data for C6H16I2N4O8 [C6H14N4O2·2(HIO3)] (Subst. No. 0932)

    NASA Astrophysics Data System (ADS)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C6H16I2N4O8 [C6H14N4O2·2(HIO3)] (Subst. No. 0932)

  5. Crystal structure of 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4 H-chromene-3-carbonitrile hemihydrate

    NASA Astrophysics Data System (ADS)

    Sharma, N.; Banerjee, B.; Brahmachari, G.; Kant, R.; Gupta, V. K.

    2015-12-01

    The title compound, 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4 Hchromene-3-carbonitrile was synthesized by multicomponent reaction at room temperature using commercially available urea as inexpensive and environmentally benign organo-catalyst. Its structure was determined by X-ray structure analysis. The crystals are monoclinic, sp. gr. C2/ c, a = 22.010(6), b = 11.0364(10), c = 17.147(4) Å, β = 130.37(4)°, Z = 8, R = 0.0433 for 2377 observed reflections.

  6. Biotransformation of 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-Hexaazaisowurtzitane (CL-20) by Denitrifying Pseudomonas sp. Strain FA1

    DTIC Science & Technology

    2003-09-01

    CoCl26H2O, 0.15 g of ZnCl2, 0.01 g of CuSO4 5H2O, 0.10 g of FeSO47H2O, 0.05 g of Na2MoO4, 0.05 g of NiCl26H2O, and 0.05 g of Na2WO4 2H2O . A...solution was used as the trace element solution and was composed of (per liter of deionized water) 0.20 g of MnSO4H2O, 0.10 g of CaCl2 2H2O , 0.10 g of

  7. Genomic characterization of G3P[6], G4P[6] and G4P[8] human rotaviruses from Wuhan, China: Evidence for interspecies transmission and reassortment events.

    PubMed

    Zhou, Xuan; Wang, Yuan-Hong; Ghosh, Souvik; Tang, Wei-Feng; Pang, Bei-Bei; Liu, Man-Qing; Peng, Jin-Song; Zhou, Dun-Jin; Kobayashi, Nobumichi

    2015-07-01

    We report here the whole genomic analyses of two G4P[6] (RVA/Human-wt/CHN/E931/2008/G4P[6], RVA/Human-wt/CHN/R1954/2013/G4P[6]), one G3P[6] (RVA/Human-wt/CHN/R946/2006/G3P[6]) and one G4P[8] (RVA/Human-wt/CHN/E2484/2011/G4P[8]) group A rotavirus (RVA) strains detected in sporadic cases of diarrhea in humans in the city of Wuhan, China. All the four strains displayed a Wa-like genotype constellation. Strains E931 and R1954 shared a G4-P[6]-I1-R1-C1-M1-A8-N1-T1-E1-H1 constellation, whilst the 11 gene segments of strains R946 and E2484 were assigned to G3-P[6]-I1-R1-C1-M1-A1-N1-T1-E1-H1 and G4-P[8]-I1-R1-C1-M1-A1-N1-T1-E1-H1 genotypes, respectively. Phylogenetically, the VP7 gene of R946, NSP3 gene of E931, and 10 of 11 gene segments of E2484 (except for VP7 gene) belonged to lineages of human RVAs. On the other hand, based on available data, it was difficult to ascertain porcine or human origin of VP3 genes of strains E931 and R946, and NSP2 genes of strains R946 and R1954. The remaining genes of E2484, E931, R946 and R1954 were close to those of porcine RVAs from China, and/or porcine-like human RVAs. Taken together, our observations suggested that strain R1954 might have been derived from porcine RVAs, whilst strains R946 and E931 might be reassortants possessing human RVA-like gene segments on a porcine RVA genetic backbone. Strain E2484 might be derived from reassortment events involving acquisition of a porcine-like VP7 gene by a Wa-like human RVA strain. The present study provided important insights into zoonotic transmission and complex reassortment events involving human and porcine RVAs, reiterating the significance of whole-genomic analysis of RVA strains.

  8. Proton radii of {sup 4,6,8}He isotopes from high-precision nucleon-nucleon interactions

    SciTech Connect

    Caurier, E.; Navratil, P.

    2006-02-15

    Recently, precision laser spectroscopy on {sup 6}He atoms determined accurately the isotope shift between {sup 4}He and {sup 6}He and, consequently, the charge radius of {sup 6}He. A similar experiment for {sup 8}He is under way. We have performed large-scale ab initio calculations for {sup 4,6,8}He isotopes using high-precision nucleon-nucleon (NN) interactions within the no-core shell model (NCSM) approach. With the CD-Bonn 2000 NN potential we found point-proton root-mean-square (rms) radii of {sup 4}He and {sup 6}He 1.45(1) fm and 1.89(4), respectively, in agreement with experiment and predict the {sup 8}He point-proton rms radius to be 1.88(6) fm. At the same time, our calculations show that the recently developed nonlocal INOY NN potential gives binding energies closer to experiment, but underestimates the charge radii.

  9. Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}

    SciTech Connect

    Tmar Trabelsi, I.; Madani, A.; Mercier, A.M.; Toumi, M.

    2013-01-15

    The structure of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}, isostructural with Fluoroapatite, was determined by X-ray powder diffraction methods. The results of Rietveld refinement revealed that the formula of this compound is [Ca{sub 4}]{sup 4f}[Ca{sub 4.4}Bi{sub 1.6}]{sup 6h}(PO{sub 4}){sub 6}[O{sub 1.8}]{sup 2a}, space group P63/m (a=9.468 (3) A, c=6.957 (3) A). A total substitution of Bi{sup 3+} ions in the (6h) sites was related particularly to the high polarizability of the Bi{sup 3+} ion compared to Ca{sup 2+}. The observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses and in comparison with Fluoroapatite and other oxyapatites. The ionic conductivity over a wide range of temperature was investigated according to the complex impedance method. The highest overall conductivity values were found at {sigma}{sub 700 Degree-Sign C} =5.03 Multiplication-Sign 10{sup -7} S cm{sup -1} and E{sub a}=0.50 eV. - Graphical abstract: The final Rietveld refinement plot of the Ca{sub 8.4}Bi{sub 1.6} (PO{sub 4}){sub 6}O{sub 1.8}. Highlights: Black-Right-Pointing-Pointer The Rietveld refinement revealed that the formula of this compound is Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}. Black-Right-Pointing-Pointer Vibrational spectroscopy supports the high symmetry P63/m space group for this apatite. Black-Right-Pointing-Pointer This apatite contained channels where oxygen ions were located in 2a sites. Black-Right-Pointing-Pointer The possibility of anionic conduction along these channels was considered.

  10. Process for manufacturing bis(2-methoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracene

    DOEpatents

    Rasmussen, Paul George; Lawton, Richard Graham

    2014-06-03

    A process to manufacture substituted tetracyano-hexaazatricyclics with the substitutions occurring at the 9 and 10 hydrogens. The process begins with 2,3-dichloro-5,6-dicyanopyrazine, which is reacted to form the desired tetracyano-hexaazatricyclic. Different process embodiments enable different reaction paths to the desired tetracyano-hexaazatricyclic. Different tetracyano-hexaazatricyclic embodiments include bis(2-methoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracene and bis(2-methoxyethoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracen- e.

  11. Proceedings of the Annual Conference on Environmental Toxicology (8th) held at Dayton, OH, 4-6 October 1977

    DTIC Science & Technology

    1977-12-01

    more than one locus, but differences between C57BL / 6 (responsive, Ahb) and DBA/2 (nonresponsive, Ahd) mice can be almost completely explained by the...Competitive inhibition by other chemicals metabolized or actively transported by the same enzyme system is likely. 6 . Dose-response curves may show an...with large excur- •o. sions) or a dose of 1/4 Do every 6 hours ( curve with small excursions). 2 o I0i I i I i I 0 1 2 3 4 5 6 7 8 9 10 Tie., Days 154

  12. Investigations of electron attachment to the perfluorocarbon molecules c-C4F8, 2-C4F8, 1,3 C4F6, and c-C5F8

    NASA Astrophysics Data System (ADS)

    Feil, Stefan; Märk, Tilmann D.; Mauracher, Andreas; Scheier, Paul; Mayhew, Chris A.

    2008-11-01

    Non-dissociative and dissociative electron attachment to a series of gas-phase perfluorocarbons (PFCs), namely octafluorocyclobutane, c-C4F8, octafluorobut-2-ene (perfluoro-2-butene), 2-C4F8, hexafluorobuta-1,3-diene (1,3 perfluorobutadiene), 1,3 C4F6, and octafluorocyclopentene (perfluorocyclopentene), c-C5F8, of importance to technological plasmas, have been investigated using two different, but complimentary, instruments available in Innsbruck over the electron energy range 0-20 eV. Anion yields as a function of electron energy have been recorded, with the positions and intensities of the electron attachment resonances being determined. One of these instruments is a double focusing sector field mass spectrometer (VG-ZAB-2SEQ), which has been used for measurements requiring high sensitivity and for obtaining accurate relative anion yields. It has also been used to determine the electron detachment lifetimes of the parent anions under various accelerating voltages, and these results are also presented. The second instrument (CELIA) is a trochoidal electron monochromator coupled to a quadrupole mass filter with a pulse counting system for detecting product anionic species. This provides a much higher energy resolution than the VG-ZAB, which makes it a better instrument to investigate narrow energy resonances close to 0 eV. The results of anion yields, peak positions and the relative intensities presented in this paper are compared with previous data of electron attachment to the above PFCs, including investigations by Professor Eugen Illenberger.

  13. Density and Elasticity of Zr46Cu37.6Ag8.4Al8 Bulk Metallic Glass at High Pressure

    SciTech Connect

    W Liu; Q Zeng; Q Jiang; L Wang; B Li

    2011-12-31

    Compressional and shear wave velocities of Zr{sub 46}Cu{sub 37.6}Ag{sub 8.4}Al{sub 8} bulk metallic glass (BMG) have been measured up to 6.3 GPa at room temperature using ultrasonic interferometry in conjunction with synchrotron X-radiography. The densities at high pressures are uniquely determined using the measured velocities. The experimental results for the elastic moduli of Zr{sub 46}Cu{sub 37.6}Ag{sub 8.4}Al{sub 8} show a reasonable agreement with the Voigt-Reuss-Hill approximation of the element metal phases, indicating that the elastic properties of the BMG have a close correlation with its constituent components.

  14. Pioneer 6 through 8

    NASA Technical Reports Server (NTRS)

    Lozier, D.; Fimmel, R.

    1991-01-01

    The DSN (Deep Space Network) mission support requirements for Pioneer 6, 7 and 8 are summarized. The primary objective of these Pioneer missions is to collect scientific data relative to interplanetary phenomena within a range of approximately 0.8 to 1.2 astronomical units from the sun. Following orbital injection, each spacecraft was oriented with its spin axis normal to the ecliptic plane so that the high gain antenna pattern would be aligned with Earth's orbit. The mission objectives are outlined and the DSN support requirements are defined through the presentation of tables and narratives describing the spacecraft flight profiles; DSN support coverage; frequency assignments; support parameters for telemetry, command and support systems; and tracking support responsibility.

  15. The Electronegativity Analysis of c-C4F8 as a Potential Insulation Substitute of SF6

    NASA Astrophysics Data System (ADS)

    Zhao, Xiaoling; Jiao, Juntao; Li, Bing; Xiao, Dengming

    2016-03-01

    The density distributions related to gas electronegativity for c-C4F8 gas, including negative ion, electron number and electron energy densities in the discharge process, are derived theoretically in both plane-to-plane and point-to-plane electrode geometries. These calculations have been performed through the Boltzmann equation in the condition of a steady-state Townsend (SST) experiment and a fluid model in the condition of both uniform and non-uniform electric fields. The electronegativity coefficients a = n-/ne of c-C4F8 and SF6 are compared to further describe the electron affinity of c-C4F8. The result shows that c-C4F8 represents an obvious electron-attachment performance in the discharge process. However, c-C4F8 still has much weaker gas electronegativity than SF6, whose electronegativity coefficient is lower than that of SF6 by at least three orders of magnitude. supported by National Natural Science Foundation of China (No. 51337006)

  16. Seeing the "Harm" in "Harmed" and "Harmful": Morphological Processing by Children in Grades 4, 6, and 8

    ERIC Educational Resources Information Center

    Deacon, S. Helene; Campbell, Emily; Tamminga, Meredith; Kirby, John

    2010-01-01

    This study examined morphological processing of inflected and derived words by children in Grades 4, 6, and 8. Participants were shown root forms and inflected, derived, and orthographic control items (e.g., "harm", "harmed", "harmful", or "harmony"), followed by a fragment completion task (e.g., completing "h a_ _"). Participants were equally…

  17. Do Children See the "Danger" in "Dangerous"? Grade 4, 6, and 8 Children's Reading of Morphologically Complex Words

    ERIC Educational Resources Information Center

    Deacon, S. Helene; Whalen, Rachel; Kirby, John R.

    2011-01-01

    We examined whether Grade 4, 6, and 8 children access the base form when reading morphologically complex words. We asked children to read words varying systematically in the frequency of the surface and base forms and in the transparency of the base form. At all grade levels, children were faster at reading derived words with high rather than low…

  18. Nqrs Data for C8H9KO6 [C8H5KO4·2(H2O)] (Subst. No. 1092)

    NASA Astrophysics Data System (ADS)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C8H9KO6 [C8H5KO4·2(H2O)] (Subst. No. 1092)

  19. 8.1.6.4 Sodalite, cancrinite, and leifite groups of silicates

    NASA Astrophysics Data System (ADS)

    Burzo, E.

    This document is part of Subvolume I6 'Tectosilicates', Part α of Volume 27 'Magnetic Properties of Non-Metallic Inorganic Compounds Based on Transition Elements' of Landolt-Börnstein Group III 'Condensed Matter'.

  20. Total electron-scattering cross sections for CHF3, C2F6, C3F8, and c-C4F8

    NASA Astrophysics Data System (ADS)

    Sanabia, Jason E.; Cooper, Gregory D.; Tossell, John A.; Moore, John H.

    1998-01-01

    The total electron-scattering cross section has been measured for 0-20 eV electrons incident upon CHF3, C2F6, C3F8, and cyclo-C4F8. The cross sections all have a broad maximum for electron energies near 9 eV, with more or less sharper peaks attributed to temporary-negative ion resonances at lower energies. For the linear molecules a resonance in the 3-6 eV range is associated with electron capture into the lowest unoccupied orbital. The shape of the cross section for the cyclic compound implies a stable ground-state negative ion.

  1. Electron-impact total ionization cross sections of CF4, C2F6, and C3F8

    NASA Astrophysics Data System (ADS)

    Nishimura, H.; Huo, Winifred M.; Ali, M. A.; Kim, Yong-Ki

    1999-02-01

    Both theoretical and experimental electron-impact total ionization cross sections of CF4, C2F6, and C3F8 are presented. The experimental cross sections have been measured as a function of incident electron energy T from threshold to 3 keV. A parallel plate condenser type apparatus was used. The molecular polarizability for C3F8 was empirically estimated to be α=10.6 Å3±0.8 Å3. Theoretical cross sections calculated from the binary-encounter-Bethe (BEB) method, which combines a modified form of the Mott cross section and the Bethe cross section, are compared with the experimental cross sections. The BEB cross sections calculated from correlated molecular wave functions with theoretical estimates for multiple ionization are about 10% higher than the experimental data at the peak for CF4, while they are in excellent agreement with the experimental data for C2F6 and C3F8. Our analysis shows that the BEB theory implicitly includes part of neutral dissociation, such as CF4→CF3+F, and hence tends to be an upper limit to the total ionization cross section. We found that the difference between our best theory for CF4 and the present experimental cross section exhibits a remarkable similarity to the shape of the recently measured cross section for neutral dissociation, though there is no a priori reason for the similarity. Owing to the large number of bound electrons, the correlation included in our wave functions for C2F6 and C3F8 is more limited than for CF4. Hence, we believe that for these two molecules the calculated cross sections are lower than the true BEB values, in spite of the apparent excellent agreement between the theory and the experiment.

  2. Adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study.

    PubMed

    Sviatenko, Liudmyla K; Gorb, Leonid; Shukla, Manoj K; Seiter, Jennifer M; Leszczynska, Danuta; Leszczynski, Jerzy

    2016-04-01

    Adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) by soil organic matter considering the Leonardite Humic Acid (LHA) model at the M05/tzvp level of Density Functional Theory (DFT) applying cluster approximation has been investigated. Different orientations of CL-20 toward LHA surface were examined. It was found that deprotonation of LHA is required to obtain stable complexes with CL-20. Hydrogen bonds between CL-20 and deprotonated LHA were analyzed applying the atoms in molecules (AIM) theory. An attachment or removal of an electron with respect to the complex does not have significant effect on mutual orientation of the adsorbent in complexes. It was shown that adsorbed CL-20 does not undergo redox transformation and, therefore, adsorption on soil organic matter may be responsible for decrease of the degradation rate of CL-20 in soil.

  3. X-Ray Powder Diffraction Data for Na8(AlSiO4)6(ReO4)2

    SciTech Connect

    McCready, David E.; Mattigod, Shas V.; Young, James S.; McGrail, B. Peter

    2004-01-31

    X-ray powder diffraction data for a new zeolite, Na8(AlSiO4)6(ReO4)2, are reported. Rietveld refinement shows this compound adopts the primitive cubic structure of sodalite (Space Group , #218) with a = 9.1528 (1) Å. The calculated value of the reference intensity ratio (RIR, or I/Ic) is 7.54. The experimental density (Dm) is 2.98 ± 0.10 g/cm3, in agreement with the calculated density (Dx) of 3.029 g/cm3. Chemical analysis of Na8(AlSiO4)6(ReO4)2 gives its composition as 11.7 ± 1.6 wt % Na; 10.7 ± 0.2 wt % Al; 11.6 ± 0.9 wt % Si; 30.6 ± 1.2 wt % Re, which compares favorably with the theoretical composition of 13.2 wt % Na, 11.6 wt% Al, 12.1 wt% Si; 26.6 wt % Re. In addition, scanning electron microscopy reveals a doubly terminated trapezohedral crystal morphology for Na8(AlSiO4)6(ReO4)2, which is typical of sodalite.

  4. Silicon etch using SF{sub 6}/C{sub 4}F{sub 8}/Ar gas mixtures

    SciTech Connect

    Bates, Robert L.; Stephan Thamban, P. L.; Goeckner, Matthew J.; Overzet, Lawrence J.

    2014-07-01

    While plasmas using mixtures of SF{sub 6}, C{sub 4}F{sub 8}, and Ar are widely used in deep silicon etching, very few studies have linked the discharge parameters to etching results. The authors form such linkages in this report. The authors measured the optical emission intensities of lines from Ar, F, S, SF{sub x}, CF{sub 2}, C{sub 2}, C{sub 3}, and CS as a function of the percentage C{sub 4}F{sub 8} in the gas flow, the total gas flow rate, and the bias power. In addition, the ion current density and electron temperature were measured using a floating Langmuir probe. For comparison, trenches were etched of various widths and the trench profiles (etch depth, undercut) were measured. The addition of C{sub 4}F{sub 8} to an SF{sub 6}/Ar plasma acts to reduce the availability of F as well as increase the deposition of passivation film. Sulfur combines with carbon in the plasma efficiently to create a large optical emission of CS and suppress optical emissions from C{sub 2} and C{sub 3}. At low fractional flows of C{sub 4}F{sub 8}, the etch process appears to be controlled by the ion flux more so than by the F density. At large C{sub 4}F{sub 8} fractional flows, the etch process appears to be controlled more by the F density than by the ion flux or deposition rate of passivation film. CF{sub 2} and C{sub 2} do not appear to cause deposition from the plasma, but CS and other carbon containing molecules as well as ions do.

  5. One-step catalytic asymmetric synthesis of all-syn deoxypropionate motif from propylene: Total synthesis of (2R,4R,6R,8R)-2,4,6,8-tetramethyldecanoic acid

    PubMed Central

    Ota, Yusuke; Murayama, Toshiki; Nozaki, Kyoko

    2016-01-01

    In nature, many complex structures are assembled from simple molecules by a series of tailored enzyme-catalyzed reactions. One representative example is the deoxypropionate motif, an alternately methylated alkyl chain containing multiple stereogenic centers, which is biosynthesized by a series of enzymatic reactions from simple building blocks. In organic synthesis, however, the majority of the reported routes require the syntheses of complex building blocks. Furthermore, multistep reactions with individual purifications are required at each elongation. Here we show the construction of the deoxypropionate structure from propylene in a single step to achieve a three-step synthesis of (2R,4R,6R,8R)-2,4,6,8-tetramethyldecanoic acid, a major acid component of a preen-gland wax of the graylag goose. To realize this strategy, we focused on the coordinative chain transfer polymerization and optimized the reaction condition to afford a stereo-controlled oligomer, which is contrastive to the other synthetic strategies developed to date that require 3–6 steps per unit, with unavoidable byproduct generation. Furthermore, multiple oligomers with different number of deoxypropionate units were isolated from one batch, showing application to the construction of library. Our strategy opens the door for facile synthetic routes toward other natural products that share the deoxypropionate motif. PMID:26908873

  6. A role for T3+4-6-8- transitional thymocytes in the differentiation of mature and functional T cells from human prothymocytes.

    PubMed Central

    Toribio, M L; Martinez, C; Marcos, M A; Marquez, C; Cabrero, E; de la Hera, A

    1986-01-01

    In vivo, immunocompetent T lymphocytes are only detected late in ontogeny, among mature thymocytes expressing either T4 (L3T4 in mouse) or T8 (Lyt-2) surface glycoproteins. We have previously shown, however, that there are functional precursors among T3+4-6-8- human thymocytes in vivo. Here we report on the in vitro differentiation of prothymocytes into T3+4-6-8- and mature T cells. T11+3-4-6-8- prothymocytes (0.5% of total thymocytes, greater than 98% pure) were obtained after treatment of thymocytes with OKT3 (T3), OKT4A (T4), Na1/34 (T6), and B9.4 (T8) monoclonal antibodies plus complement. During culture, the prothymocyte precursors acquire first T3 and then either T4 or T8, but not T6. The largest subpopulation in the thymus, T4+6+8+ cells, are not detected among the in vitro T-cell precursors. During culture, the precursors acquire cytolytic activity as soon as they express either the T3+4-6-8- or the mature (T3+4+8- or T3+4-8+) phenotypes. We suggest that T3+4-6-8- cells are a productive, transitional stage in T-lymphocyte development. PMID:3092222

  7. Design of Mach-4 and Mach-6 Nozzles for the NASA LaRC 8-Ft High Temperature Tunnel

    NASA Technical Reports Server (NTRS)

    Gaffney, Richard L., Jr.

    2009-01-01

    The aerodynamic contours for two new nozzles have been designed for the NASA Langley Research Center 8-Foot High Temperature Tunnel. The new Mach-4 and Mach-6 contours have 54.5-inch exit-diameters allowing for testing at high dynamic pressures. The Mach-4 nozzle will extend the test capability of the facility and allow turbine-based combined-cycle propulsion systems to be tested at conditions appropriate for the transition from the turbine to the scramjet flowpath. The Mach-6 nozzle will serve a dual purpose; to provide a Mach-6 test capability at high dynamic pressure and to be used in conjunction with an existing mixer section for testing at lower enthalpy conditions. This second use will extend the life of the existing Mach-7 nozzle which has been used for this purpose. The two new nozzles, in conjunction with existing nozzles, will allow for testing at Mach numbers of 3, 4, 5 and 6 at high dynamic pressures, and Mach 4, 5 and 7 at lower dynamic pressures but larger scales.

  8. Penta-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13)]octa-deca-1(2),8(9)-diene.

    PubMed

    Ioannou, Savvas; Moushi, Eleni

    2012-07-01

    The title compound, C(18)H(24), was the main product of thermolysis of noradamantene dimer (hepta-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13).0(1,9).0(2,8)]octa-deca-ne). The crystal structure was determined to prove that the thermolysis product of noradamantene dimer is favored by stretch release due to ring opening of the four-membered ring. The bond length of the quaternary C atoms of the starting material was calculated as 1.6 Å, enlarged in comparison to other single bonds. After the rearrangement, the stretch release of the above carbons leads to an increase of the distance between them (2.824 Å) with respect to the crystallographic data.

  9. Total cross sections of electron scattering by C4H8O, C5H10O2, C6H5F, C6H5Cl, C6F5Cl, C6H4(CHO)F and C4H8O2 at 30-5000 eV

    NASA Astrophysics Data System (ADS)

    Shi, D. H.; Liu, Y. F.; Ma, H.; Yu, B. H.; Sun, J. F.; Zhu, Z. L.

    2008-08-01

    Total cross sections for electron scattering by large molecules C4H8O, C5H10O2, C6H5F, C6H5Cl, C6F5Cl, C6H4(CHO)F and C4H8O2 are calculated at the Hartree-Fork level using the modified additivity rule approach. The modified additivity rule approach, which was proposed by Shi et al. [Eur. Phys. J. D 45, 253 (2007); Nucl. Instrum. Meth. B 254, 205 (2007)], takes into consideration that the contributions of the geometric shielding effect vary with the energy of the incident electrons, the target’s molecular dimension and the atomic and electronic numbers of the molecule. The present calculations cover the collision energies ranging from 30 to 5000 eV. The quantitative total cross sections are compared with those obtained by experiments and other theories. Good agreement is obtained even at energies of several tens of eV. It shows that the modified additivity rule approach is applicable to calculate the total cross sections of electron scattering by so large molecules at intermediate and high energies, especially above 100 eV. The total cross sections for electron scattering by the C4H8O2 molecule are predicted although no experimental and theoretical data are available for comparison over the present energy region.

  10. 6-Chloro-8-methyl-4H-3,1-benzoxazine-2,4(1H)-dione

    PubMed Central

    Zhou, Yan-Ling; Wang, Hua; Zhao, Min

    2010-01-01

    The two mol­ecules in the asymmetric unit of the title compound, C9H6ClNO3, are nearly planar, with r.m.s. deviations of 0.034 and 0.037 Å. The crystal structure is stabilized by two weak inter­molecular N—H⋯O inter­actions. PMID:21579176

  11. Anticonvulsant profiles of certain new 6-aryl-9-substituted-6,9-diazaspiro-[4.5]decane-8,10-diones and 1-aryl-4-substituted-1,4-diazaspiro[5.5]undecane-3,5-diones.

    PubMed

    Aboul-Enein, Mohamed N; El-Azzouny, Aida A; Attia, Mohamed I; Maklad, Yousreya A; Aboutabl, Mona E; Ragab, Fatma; Abd El-Hamid, Walaa H A

    2014-09-23

    Synthesis and anticonvulsant potential of certain new 6-aryl-9-substituted-6,9-diazaspiro[4.5]decane-8,10-diones (6a-l) and 1-aryl-4-substituted-1,4-diazaspiro[5.5] undecane-3,5-diones (6m-x) are reported. The intermediates 1-[(aryl)(cyanomethyl)amino] cycloalkanecarboxamides (3a-f) were prepared via adopting Strecker synthesis on the proper cycloalkanone followed by partial hydrolysis of the obtained nitrile functionality and subsequent N-cyanomethylation. Compounds 3a-f were subjected to complete nitrile hydrolysis to give the respective carboxylic acid derivatives 4a-f which were cyclized under mild conditions to give the spiro compounds 5a-f. Ultimately, compounds 5a-f were alkylated or aralkylated to give the target compounds 6a-i and 6m-u. On the other hand, compounds 6j-l and 6v-x were synthesized from the intermediates 5a-f through alkylation, dehydration and finally tetrazole ring formation. Anticonvulsant screening of the target compounds 6a-x revealed that compound 6g showed an ED50 of 0.0043 mmol/kg in the scPTZ screen, being about 14 and 214 fold more potent than the reference drugs, Phenobarbital (ED50 = 0.06 mmol/kg) and Ethosuximide (ED50 = 0.92 mmol/kg), respectively. Compound 6e exhibited an ED50 of 0.019 mmol/kg, being about 1.8 fold more potent than that of the reference drug, Diphenylhydantoin (ED50 = 0.034 mmol/kg) in the MES screen. Interestingly, all the test compounds 6a-x did not show any minimal motor impairment at the maximum administered dose in the neurotoxicity screen.

  12. Anticonvulsant Profiles of Certain New 6-Aryl-9-substituted-6,9-diazaspiro-[4.5]decane-8,10-diones and 1-Aryl-4-substituted-1,4-diazaspiro[5.5]undecane-3,5-diones

    PubMed Central

    Aboul-Enein, Mohamed N.; El-Azzouny, Aida A.; Attia, Mohamed I.; Maklad, Yousreya A.; Aboutabl, Mona E.; Ragab, Fatma; El-Hamid, Walaa H. A. Abd

    2014-01-01

    Synthesis and anticonvulsant potential of certain new 6-aryl-9-substituted-6,9-diazaspiro[4.5]decane-8,10-diones (6a–l) and 1-aryl-4-substituted-1,4-diazaspiro[5.5]undecane-3,5-diones (6m–x) are reported. The intermediates 1-[(aryl)(cyanomethyl)amino]cycloalkanecarboxamides (3a–f) were prepared via adopting Strecker synthesis on the proper cycloalkanone followed by partial hydrolysis of the obtained nitrile functionality and subsequent N-cyanomethylation. Compounds 3a–f were subjected to complete nitrile hydrolysis to give the respective carboxylic acid derivatives 4a–f which were cyclized under mild conditions to give the spiro compounds 5a–f. Ultimately, compounds 5a–f were alkylated or aralkylated to give the target compounds 6a–i and 6m–u. On the other hand, compounds 6j–l and 6v–x were synthesized from the intermediates 5a–f through alkylation, dehydration and finally tetrazole ring formation. Anticonvulsant screening of the target compounds 6a–x revealed that compound 6g showed an ED50 of 0.0043 mmol/kg in the scPTZ screen, being about 14 and 214 fold more potent than the reference drugs, Phenobarbital (ED50 = 0.06 mmol/kg) and Ethosuximide (ED50 = 0.92 mmol/kg), respectively. Compound 6e exhibited an ED50 of 0.019 mmol/kg, being about 1.8 fold more potent than that of the reference drug, Diphenylhydantoin (ED50 = 0.034 mmol/kg) in the MES screen. Interestingly, all the test compounds 6a–x did not show any minimal motor impairment at the maximum administered dose in the neurotoxicity screen. PMID:25250910

  13. Disposition of acetaminophen at 4, 6, and 8 g/day for 3 days in healthy young adults.

    PubMed

    Gelotte, C K; Auiler, J F; Lynch, J M; Temple, A R; Slattery, J T

    2007-06-01

    The objective of this study was to determine the disposition and tolerability of 1, 1.5, and 2 g acetaminophen every 6 h for 3 days. Group I healthy adults received acetaminophen (4 then 6 g/day) or placebo; Group II received acetaminophen (4 then 8 g/day) or placebo. Acetaminophen and metabolites were measured in plasma and urine. Hepatic aminotransferases were measured daily. At steady state, acetaminophen concentrations were surprisingly lower than predicted from single-dose data, although sulfate formation clearance (fCL) was lower as expected, indicating cofactor depletion with possible sulfotransferase saturation. In contrast, glucuronide fCL was unexpectedly higher, strongly suggesting glucuronosyltransferase induction. This is the first evidence that acetaminophen induces its own glucuronidation. No dose-dependent differences were detected in fCL of thiol metabolites formed via cytochrome P4502E1. Hepatic aminotransferases stayed within reference ranges, and the incidence and frequency of adverse events were similar for acetaminophen and placebo. Although dose-dependence of acetaminophen disposition was reported previously, this study shows a novel finding of time-dependent disposition during repeated dosing. Unexpected increases in glucuronide fCL more than offset decreases in sulfate fCL, thus increasing acetaminophen clearance overall. Thiol metabolite fCL remained constant up to 8 g/day. These findings have important implications in short-term (3 day) tolerability of supratherapeutic acetaminophen doses in healthy adults.

  14. Dissociation Cross Sections for C2F6, c-C4F8, C3F8, CHF3, and TEOS

    NASA Astrophysics Data System (ADS)

    Morgan, W. L.

    1999-10-01

    Extensive use is made of beam measurements, ab initio calculations, and electron swarm measurements in deriving total cross sections for dissociation of C_2F_6, c-C_4F_8, C_3F_8, CHF_3, and TEOS into neutral fragments. Use is made of a numerical optimization algorithm for scaling measured or computed cross sections and manipulating model cross sections in order to satisfy the measured electron transport data. These are molecules that are important in plasma processing because they readily dissociate into reactive radical fragments. Although swarm analyses cannot tell us what the specific radical fragments are, they can provide an accurate estimate of the cross section and, hence, rate coefficient for dissociation. Further details can be found on the KR&S Web site.

  15. Isomorphous Substitution of Rare-Earth Elements in Lacunary Apatite Pb8Na2(PO4)6.

    PubMed

    Get'man, Evgeni I; Loboda, Stanislav N; Ignatov, Alexey V; Prisedsky, Vadim V; Abdul Jabar, Mohammed A B; Ardanova, Lyudmyla I

    2016-03-07

    The substitution of rare-earth elements (REEs) for Pb in the lacunary apatite Pb8Na2(PO4)6 with void structural channels was studied by means of powder X-ray diffraction (including the Rietveld refinement), scanning electron microscopy, energy-dispersive X-ray microanalysis, and IR spectroscopy and also measurements of the electrical conductivity. The substitution limits (xmax in Pb8-xLnxNa2(PO4)6Ox/2) at 800 °C were found to decrease with the atomic number of the REE from 1.40 for La to 0.12 for Yb with a rapid drop from light to heavy lanthanides (between Gd and Tb). The REE atoms substitute for Pb predominantly at Pb2 sites of the apatite structure according to the scheme 2Pb(2+) + □ → 2Ln(3+) + O(2-), where □ is a vacancy in the structural channel. The substitution in lacunary apatite produces quite different changes in the structural parameters compared with broadly studied alkaline-earth hydroxyapatites. In spite of the much lower ionic radii of REE than that of Pb(2+), the mean distances ⟨Pb1-O⟩ somewhat increase, whereas the distances ⟨Pb2-Pb2⟩ and ⟨Pb2-O4⟩ do not change considerably with the degree of substitution. This implies control of the substitution by not only spatial and charge accommodation of REE ions but also the availability of a stereochemically active 6s(2) electron pair on Pb(2+). The high-temperature electrical conductivity shows dependence on the degree of substitution with a minimum at x = 0.2 indicative of a possible change of the type of conductivity.

  16. Validating Geant4 Versions 7.1 and 8.3 Against 6.1 for BaBar

    SciTech Connect

    Banerjee, Swagato; Brown, David N.; Chen, Chunhui; Cote, David; Dubois-Felsmann, Gregory P.; Gaponenko, Igor; Kim, Peter C.; Lockman, William S.; Neal, Homer A.; Simi, Gabriele; Telnov, Alexandre V.; Wright, Dennis H.; /SLAC

    2011-11-08

    Since 2005 and 2006, respectively, Geant4 versions 7.1 and 8.3 have been available, providing: improvements in modeling of multiple scattering; corrections to muon ionization and improved MIP signature; widening of the core of electromagnetic shower shape profiles; newer implementation of elastic scattering for hadronic processes; detailed implementation of Bertini cascade model for kaons and lambdas, and updated hadronic cross-sections from calorimeter beam tests. The effects of these changes in simulation are studied in terms of closer agreement of simulation using Geant4 versions 7.1 and 8.3 as compared to Geant4 version 6.1 with respect to data distributions of: the hit residuals of tracks in BABAR silicon vertex tracker; the photon and K{sub L}{sup 0} shower shapes in the electromagnetic calorimeter; the ratio of energy deposited in the electromagnetic calorimeter and the flux return of the magnet instrumented with a muon detection system composed of resistive plate chambers and limited-streamer tubes; and the muon identification efficiency in the muon detector system of the BABAR detector.

  17. Synthesis and oxidation behavior of 2,4,5,7,8-pentamethyl-4H-1,3-benzodioxin-6-ol, a multifunctional oxatocopherol-type antioxidant.

    PubMed

    Rosenau, Thomas; Potthast, Antje; Elder, Thomas; Lange, Thomas; Sixta, Herbert; Kosma, Paul

    2002-05-31

    2,4,5,7,8-Pentamethyl-4H-1,3-benzodioxin-6-ol (PBD, 1) is a novel 3-oxa-tocopherol-type stabilizer, which is obtained as a mixture of two diastereomers by condensation of trimethylhydroquinone with acetaldehyde in an acid-catalyzed reaction. The oxidation behavior of 1 is governed by the amount of water available. In aqueous media, 1 is oxidized by one oxidation equivalent to 2,5-dihydroxy-3,4,6-trimethylacetophenone (3) via 2-(1-hydroxyethyl)-3,5,6-trimethylbenzo-1,4-quinone (2). The acid-catalyzed conversion of 2 into 3 proceeds in solution with first-order kinetics with regard to 2 but works also in solid phase. Oxidation in the presence of just 1 equiv of water produces acetophenone 3 as well, but according to a different mechanism involving o-quinone methide 5 and styrene derivative 6, from which finally acetaldehyde is released. A [1,5]-sigmatropic proton shift from the C-4a methyl group to the exocyclic methylene group in 5 causes formation of 6, as demonstrated by labeling experiments. In addition, the presence of both intermediates was proven by hetero-Diels-Alder trapping reactions. In the absence of water, oxidation of 1 produces chromenone 10 via the intermediates 5 and 6 and chromanone 9, and oxidation of 9 to 10 is preferred to oxidation of starting material 1. When the formation of an exocyclic methylene group at C-4 is impossible as a result of structural prerequisites, as in the diphenyl derivative 12, the initially generated o-quinone methide 5 cannot form 6 but undergoes dimerization to spiro-compounds. The transformation of p-quinone 2 into acetophenone 3 might contribute to the chemistry of tocopherols oxidized at C-4, i.e., 4-hydroxy-alpha-tocopherol and 4-oxo-alpha-tocopherol, which have been proposed as precursors of natural vitamin E metabolites.

  18. DFT studies on a high energy density cage compound 4-trinitroethyl-2,6,8,10,12-pentanitrohezaazaisowurtzitane.

    PubMed

    Zhang, Jian-ying; Du, Hong-chen; Wang, Fang; Gong, Xue-dong; Huang, Yin-sheng

    2011-06-23

    Polynitro cage compound 4-trinitroethyl-2,6,8,10,12-pentanitrohexaazaisowurtzitane has the same framework with but higher stability than CL-20 and is a potential new high energy density compound (HEDC). In this paper, the B3LYP/6-31G(d,p) method of density functional theory (DFT) has been used to study its heat of formation, IR spectrum, and thermodynamic properties. The stability of the compound was evaluated by the bond dissociation energies. The calculated results show that the first step of pyrolysis is the rupture of the N-NO(2) bond in the side chain and verify the experimental observation that the title compound has better stability than CL-20. The crystal structure obtained by molecular mechanics belongs to the P2(1)2(1)2(1) space group, with lattice parameters a = 12.59 Å, b = 10.52 Å, c = 12.89 Å, Z = 4, and ρ = 2.165 g·cm(-3). Both the detonation velocity of 9.767 km·s(-1) and the detonation pressure of 45.191 GPa estimated using the Kamlet-Jacobs equation are better than those of CL-20. Considering that this cage compound has a better detonation performance and stability than CL-20, it may be a superior HEDC.

  19. Toxicity in Rhesus Monkeys Following Administration of the 8-Aminoquinoline 8-[(4-amino-l-methylbutyl)amino]-5(l-hexyloxy)-6-methoxy-4-methylquinoline (WR242511)

    DTIC Science & Technology

    2008-09-01

    Myoglobinuria was also observed following the 7.0 mg/kg dose. Histopathology analyses in the 2 animals that died revealed liver and kidney toxicity, with...arteriolar fibin thrombi. Pathology interpretation The histopathological results strongly suggest that the lesions in the liver and kidney of both...x100) (Animal 7). Figure 6: Kidney with tubular epithelial degeneration and necrosis, and intratubular cellular, granular, or hemoglobin casts

  20. Synthesis and antiparasitic and antitumor activity of 2, 4-diamino-6-(arylmethyl)-5,6,7,8-tetrahydroquinazoline analogues of piritrexim.

    PubMed

    Rosowsky, A; Papoulis, A T; Forsch, R A; Queener, S F

    1999-03-25

    Nineteen previously undescribed 2,4-diamino-6-(arylmethyl)-5,6,7, 8-tetrahydroquinazolines (5a-m, 10-12) were synthesized as part of a larger effort to assess the therapeutic potential of lipophilic dihydrofolate reductase (DHFR) inhibitors against opportunistic infections of AIDS. Condensation of appropriately substituted (arylmethyl)triphenylphosphoranes with 4, 4-ethylenedioxycyclohexanone, followed by hydrogenation (H2/Pd-C) and acidolysis, yielded the corresponding 4-(arylmethyl)cyclohexanones, which were then condensed with cyanoguanidine to form the tetrahydroquinazolines. Three simple 2, 4-diamino-6-alkyl-5,6,7,8-tetrahydroquinazoline model compounds (9a-c) were also prepared in one step from commercially available 4-alkylcyclohexanones by this method. Enzyme inhibition assays against rat liver DHFR, Pneumocystis carinii DHFR, and the bifunctional DHFR-TS enzyme from Toxoplasma gondii were carried out, and the selectivity ratios IC50(rat)/IC50(P. carinii) and IC50(rat)/IC50(T. gondii) were compared. The three most potent inhibitors of P. carinii DHFR were the 2,5-dimethoxybenzyl (5j), 3, 4-dimethoxybenzyl (5k), and 3,4,5-trimethoxybenzyl (5l) analogues, with IC50 values of 0.057, 0.10, and 0.091 microM, respectively. The remaining compounds generally had IC50 values in the 0.1-1.0 microM range. However all the compounds were more potent against the rat liver enzyme than the P. carinii enzyme and thus were nonselective. The T. gondii enzyme was always more sensitive than the P. carinii enzyme, with most of the analogues giving IC50 values of 0.01-0.1 microM. Moderate 5-10-fold selectivity for T. gondii versus rat liver DHFR was observed with five compounds, the best combination of potency and selectivity being achieved with the 2-methoxybenzyl analogue 5d, which had an IC50 of 0.014 microM and a selectivity ratio of 8.6. One compound (5l) was tested for antiproliferative activity against P. carinii trophozoites in culture at a concentration of 10 microgram

  1. Raman and infrared spectroscopic study of synthetic ungemachite, K3Na8Fe(SO4)6(NO3)2·6H2O

    NASA Astrophysics Data System (ADS)

    Vargas Jentzsch, Paul; Ciobotă, Valerian; Bolanz, Ralph Michael; Kampe, Bernd; Rösch, Petra; Majzlan, Juraj; Popp, Jürgen

    2012-08-01

    Iron is an important element usually found in atmospheric particulate matter, and its occurrence can be attributed to both natural and anthropogenic sources. It is an accepted fact that the atmospheric particles interact with water and other atmospheric components, therefore dissolution-crystallization processes can be expected. In this work, considering specially that low pH values are characteristic of aerosol solutions, we postulate that the rare mineral ungemachite, K3Na8Fe(SO4)6(NO3)2·6H2O can crystallize in atmosphere. The Raman and infrared spectra of synthetic ungemachite are presented and the band assignments are proposed and discussed. This is the first time that a synthetic method for ungemachite is reported.

  2. Elevated Temperature Deformation of Fe-39.8Al and Fe-15.6Mn-39.4Al

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. Daniel

    2004-01-01

    The elevated temperature compressive properties of binary Fe-39.8 at % Al and Fe-15.6Mn-39.4Al have been measured between 1000 and 1300 K at strain rates between 10(exp 7) and 10(exp 3)/ s. Although the Mn addition to iron aluminide did not change the basic deformation characteristics, the Mn-modified alloy was slightly weaker. In the regime where deformation of FeAl occurs by a high stress exponent mechanism (n = 6), strength increases as the grain size decreases at least for diameters between approx. 200 and approx. 10 microns. Due to the limitation in the grain size-flow stress-temperature-strain rate database, the influence of further reductions of the grain size on strength is uncertain. Based on the appearance of subgrains in deformed iron aluminide, the comparison of grain diameters to expected subgrain sizes, and the grain size exponent and stress exponent calculated from deformation experiments, it is believed that grain size strengthening is the result of an artificial limitation on subgrain size as proposed by Sherby, Klundt and Miller.

  3. 4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazatetracyclo[5.5.0.05,903,11]dodecane Synthesis

    NASA Astrophysics Data System (ADS)

    Maksimowski, Paweł; Gołofit, Tomasz

    2013-07-01

    4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazatetracyclo[5.5.0.05,903,11]dodecane (TEX) was obtained by nitrolysis of 1,4-diformyl-2,3,5,6-tetrahydroxypiperazine reaction using a mixture of fuming nitric acid and concentrated sulfuric acid. The optimal process temperature was 54-56°C. The yield of the synthesis depends inter alia on the rate the reactants are introduced into the reaction medium and on the time of conditioning of the reaction mixture. A maximal yield of ca. 40% was achieved at the reactant addition time of 2 h and conditioning time of 2 h. None of the other nitrating mixtures examined proved superior to the conventional nitrating mixture. The product was examined by high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR), Fourier transform infrared (FTIR), and differential scanning calorimetry (DSC) techniques and the results are reported.

  4. Disposition of 1,4,6,8-tetramethyl-furoquinolinone in normal and ascitic tumor bearing mice.

    PubMed

    Bevilacqua, Rita; Baccichetti, Francarosa; Gaion, Rosa Maria; Guiotto, Adriano

    2006-01-01

    1,4,6,8-Tetramethyl-2H-furo[2,3h]quinolin-2-one (FQ) belongs to a series of furocoumarin isosters, designed to obtain new drugs for photochemotherapy. The objective of this study was to characterize the disposition of orally administered 3H-FQ in normal and ascitic tumor bearing mice and to evaluate the influence of UVA irradiation in control mice. This compound was rapidly absorbed and its decay in serum was biphasic. Binding to serum proteins, which was maximum at 30 min (74 %), time-dependently declined. FQ was distributed to all the studied tissues, primarily to the liver and kidneys. The administered radioactivity was excreted mostly in the urine (43 %) and was associated with polar metabolites. The unchanged compound was not present to any detectable extent in the urine. Elimination in the faeces, that may include FQ not absorbed, was low (14 % of administered radioactivity), emphasizing the quantitatively efficient gastrointestinal absorption of the drug. UVA irradiation of FQ-treated mice for 2 h caused a significant increase in radioactivity measured in serum as well as in the liver. In mice bearing Ehrlich ascitic tumor, serum and tissue concentrations were lower than in control animals, possibly due to the larger volume of body fluids (10+/-4 ml of ascitic fluid) available for drug distribution.

  5. Discovery of novel 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine derivatives as γ-secretase modulators (Part 2).

    PubMed

    Takai, Takafumi; Koike, Tatsuki; Nakamura, Minoru; Kajita, Yuichi; Yamashita, Toshiro; Taya, Naohiro; Tsukamoto, Tetsuya; Watanabe, Tomomichi; Murakami, Koji; Igari, Tomoko; Kamata, Makoto

    2016-07-15

    γ-Secretase modulators (GSMs), which lower pathogenic amyloid beta (Aβ) without affecting the production of total Aβ or Notch signal, have emerged as a potential therapeutic agent for Alzheimer's disease (AD). A novel series of 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine derivatives was discovered and characterized as GSMs. Optimization of substituents at the 8-position of the core scaffold using ligand-lipophilicity efficiency (LLE) as a drug-likeness guideline led to identification of various types of high-LLE GSMs. Phenoxy compound (R)-17 exhibited especially high LLE as well as potent in vivo Aβ42-lowering effect by single administration. Furthermore, multiple oral administration of (R)-17 significantly reduced soluble and insoluble brain Aβ42, and ameliorated cognitive deficit in novel object recognition test (NORT) using Tg2576 mice as an AD model.

  6. Synthesis and evaluation of 3-[(2,4-dioxo-1,3,8-triazaspiro[4.6]undec-3-yl)methyl]benzonitrile derivatives as potential anticonvulsants.

    PubMed

    Madaiah, Malavalli; Prashanth, Maralekere K; Revanasiddappa, Hosakere D; Veeresh, Bantal

    2013-03-01

    New 3-[(2,4-dioxo-1,3,8-triazaspiro[4.6]undec-3-yl)methyl]benzonitrile derivatives 8-37 were synthesized and their pharmacological activities were determined with the objective to better understand their structure-activity relationship (SAR) for anticonvulsant activity. All the compounds were evaluated for their possible anticonvulsant activity by maximal electroshock seizure (MES) and pentylenetetrazole (PTZ) test. Compounds 11, 18, 31, and 32 showed significant and protective effect on seizure, when compared with the standard drug valproate. The same compounds were found to exhibit advanced anticonvulsant activity as well as lower neurotoxicity than the reference drug. From this study, it is quite apparent that there are at least three parameters for the activity of anticonvulsant drugs, that is, a lipophilic domain, a hydrophobic center, and a two-electron donor.

  7. Stat6 signaling suppresses VLA-4 expression by CD8+ T cells and limits their ability to infiltrate tumor lesions in vivo.

    PubMed

    Sasaki, Kotaro; Zhao, Xi; Pardee, Angela D; Ueda, Ryo; Fujita, Mitsugu; Sehra, Sarita; Kaplan, Mark H; Kane, Lawrence P; Okada, Hideho; Storkus, Walter J

    2008-07-01

    VLA-4 plays a critical role in T cell trafficking into inflammatory sites. Our recent studies have suggested that VLA-4 expression on CD8+ T cells is negatively controlled by IL-4 and serves as a functionally distinguishing variable for why Type-1, but not Type-2, CD8+ T cells are able to traffic into tumors. In this study, using in vitro culture of murine CD8+ T cells under Type-1 and Type-2 cytokine conditions, we show that IL-4-mediated down-regulation of VLA-4 expression is completely abrogated in Stat6-deficient CD8+ T cells. Conversely, CD8+ T cells expressing a constitutively active mutant form Stat6 (Stat6VT) failed to express VLA-4 even in the absence of IL-4-stimulation. Notably, Type-2 CD8+ T cells developed from Stat6-/- but not wild-type mice were competent to migrate into tumor lesions in vivo. These results suggest that Stat6-signaling is necessary and sufficient to restrict CD8+ T cell expression of VLA-4 (by IL-4), thereby serving as a regulator for CD8+ T cell infiltration into tumors.

  8. Stat6 Signaling Suppresses VLA-4 Expression by CD8+ T Cells and Limits Their Ability to Infiltrate Tumor Lesions In Vivo1

    PubMed Central

    Sasaki, Kotaro; Zhao, Xi; Pardee, Angela D.; Ueda, Ryo; Fujita, Mitsugu; Sehra, Sarita; Kaplan, Mark H.; Kane, Lawrence P.; Okada, Hideho; Storkus, Walter J.

    2008-01-01

    VLA-4 plays a critical role in T cell trafficking into inflammatory sites. Our recent studies have suggested that VLA-4 expression on CD8+ T cells is negatively controlled by IL-4 and serves as a functionally distinguishing variable for why Type-1, but not Type-2, CD8+ T cells are able to traffic into tumors. In this study, using in vitro culture of murine CD8+ T cells under Type-1 and Type-2 cytokine conditions, we show that IL-4-mediated down-regulation of VLA-4 expression is completely abrogated in Stat6-deficient CD8+ T cells. Conversely, CD8+ T cells expressing a constitutively active mutant form Stat6 (Stat6VT) failed to express VLA-4 even in the absence of IL-4-stimulation. Notably, Type-2 CD8+ T cells developed from Stat6−/− but not wild-type mice were competent to migrate into tumor lesions in vivo. These results suggest that Stat6-signaling is necessary and sufficient to restrict CD8+ T cell expression of VLA-4 (by IL-4), thereby serving as a regulator for CD8+ T cell infiltration into tumors. PMID:18566374

  9. Temperature-dependent framework–template interaction of |Na{sub 6}(H{sub 2}O){sub 8}|[ZnPO{sub 4}]{sub 6} sodalite

    SciTech Connect

    Robben, Lars Gesing, Thorsten M.

    2013-11-15

    The partial dehydration followed by the decomposition of sodium-zincophosphate-hydrosodalite caused by the total water loss was examined by temperature-dependent X-ray powder diffraction, Fourier transform infrared (FTIR) and Raman spectroscopy as well as thermogravimetry combined with difference thermoanalysis. The dehydration causing the decomposition of this sodalite could be described in a two step-process. Initially two water molecules per unit-cell were lost, changing the interaction between the zincophosphate framework and the remaining water molecules as well as sodium cations as non-framework constituents. In this stage a 3+3 coordination of water molecules and sodium cations in the sodalite cage is observed. Using the autocorrelation function (AC) for the evaluation of the temperature-dependent FTIR spectra of sodalites is reported here for the first time. Calculating the changes in the AC broadness, structural features could well be analyzed due to its correlation with respective structural parameters. Temperature dependent Raman data was used to give a band assignment of bands at Raman shifts below 300 cm{sup −1}. - Graphical abstract: The thermal decomposition of |Na{sub 6}(H{sub 2}O){sub 8}|[ZnPO{sub 4}]{sub 6} sodalite is a two-step process with an initial loss of two water molecules at 400 K, intermediately stabilizing the highly stressed framework. Further heating leads to a subsequent loss of the remaining six water molecules and a breakup of the sodalite framework. A beryllonite-type NaZnPO{sub 4} is the final product of this process. Display Omitted - Highlights: • The decomposition of |Na{sub 6}(H{sub 2}O){sub 8}|[ZnPO{sub 4}]{sub 6} sodalite is a two-step process. • Initial loss of two water molecule at 400 K stabilizes the sodalite (step 1). • Further heating leads to complete loss of water and structural breakdown. • Autocorrelation of temperature dependent FTIR-spectra gives structural information.

  10. Synthesis and Screening of Modified 6,6'-Bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrobenzo[e][1,2,4]triazin-3-yl)-2,2'-bipyridine Ligands for Actinide and Lanthanide Separation in Nuclear Waste Treatment.

    PubMed

    Afsar, Ashfaq; Distler, Petr; Harwood, Laurence M; John, Jan; Westwood, James

    2016-11-04

    Effects of chloro and bromo substitution at the 4-position of the pyridine ring of 6,6'-bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrobenzo[e][1,2,4]triazin-3-yl)-2,2'-bipyridine (CyMe4-BTBP) have been studied with regard to the extraction of Am(III) from Eu(III) and Cm(III) from 0.1-3 M HNO3. Similarly to CyMe4-BTBP, a highly efficient (DAm > 10 at 3 M HNO3) and selective (SFAm/Eu > 100 at 3 M HNO3) extraction was observed for Cl-CyMe4-BTBP and Br-CyMe4-BTBP in 1-octanol but in the absence of a phase-transfer agent.

  11. Synthesis and characterization of metal-organic framework-74 containing 2, 4, 6, 8, and 10 different metals.

    PubMed

    Wang, Lisa J; Deng, Hexiang; Furukawa, Hiroyasu; Gándara, Felipe; Cordova, Kyle E; Peri, Dani; Yaghi, Omar M

    2014-06-16

    Metal-organic frameworks (MOFs) containing more than two kinds of metal ions mixed in one secondary building unit are rare because the synthesis often yields mixed MOF phases rather than a pure phase of a mixed-metal MOF (MM-MOF). In this study, we use a one-pot reaction to make microcrystalline MOF-74 [M2(DOT); DOT = dioxidoterephthalate] with 2 (Mg and Co), 4 (Mg, Co, Ni, and Zn), 6 (Mg, Sr, Mn, Co, Ni, and Zn), 8 (Mg, Ca, Sr, Mn, Fe, Co, Ni, and Zn), and 10 (Mg, Ca, Sr, Ba, Mn, Fe, Co, Ni, Zn, and Cd) different kinds of divalent metals. The powder X-ray diffraction patterns of MM-MOF-74 were identical with those of single-metal MOF-74, and no amorphous phases were found by scanning electron microscopy. The successful preparation of guest-free MM-MOF-74 samples was confirmed by N2 adsorption measurements. Elemental analysis data also support the fact that all metal ions used in the MOF synthesis are incorporated within the same MOF-74 structure. Energy-dispersive X-ray spectroscopies indicate that metal ions are heterogeneously distributed within each of the crystalline particles. This approach is also employed to incorporate metal ions (i.e., Ca, Sr, Ba, and Cd) from which the parent MOF structure could not be made as a single-metal-containing MOF.

  12. Synthesis and antirhinovirus activity of 8-substituted analogues of 6-(dimethylamino)-9-(4-methylbenzyl)-2-(trifluoromethyl)-9H-purine.

    PubMed

    Kelley, J L; Linn, J A; Selway, J W

    1991-01-01

    Several 8-substituted analogues of 6-(dimethylamino) -9-(4-methylbenzyl)-2-(trifluoromethyl)-9H-purine (1) were synthesized and tested for activity against rhinovirus type 1B. Among 16 8-substituted analogues, the 8-amino (3) and 8-bromo (2) analogues were most active with IC50s of 0.36 and 1.4 microM, respectively, under conditions where 1 had an IC50 of 0.03 microM.

  13. Theoretical vibrations of carbon chains C3, C4, C5, C6, C7, C8, and C9

    NASA Technical Reports Server (NTRS)

    Kurtz, Joe; Adamowicz, Ludwik

    1991-01-01

    The MBPT (2) procedure with the 6-31g (asterisk) basis set was used to study nearly linear carbon chains. The theoretical vibrational frequencies of the molecules C3 through C9 are presented and, for C3 through C6, compared to experimental stretching frequencies and their (C-13)/(C-12) isotopomers. Predictions for C7, C8, and C9 stretching frequencies are calculated by directly scaling the theoretical frequencies with factors derived from experimental-to-theoretical ratios known for the smaller molecules.

  14. Experimental and theoretical investigations of spectroscopic properties of 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

    NASA Astrophysics Data System (ADS)

    Muthu, S.; Prasath, M.; Arun Balaji, R.

    2013-04-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (8C1M6PB) have been recorded in the range of 4000-400 and 4000-100 cm-1, respectively. A detailed interpretation of the vibrational spectra of this compound has been made on the basis of the calculated potential energy distribution (PED). The equilibrium geometries, harmonic frequencies, infrared intensities and Raman scattering activities were calculated by Hartree-Fock (HF) and density functional B3LYP method with the 6-31G (d,p) basis set. The vibrational frequencies were calculated in all these methods and were compared with the experimental frequencies which yield good agreement between observed and calculated frequencies. The first order hyperpolarizability (βtotal) of this molecular system and related properties (β, μ, and Δα) are calculated using HF/6-31G (d,p) and B3LYP/6-31G(d,p) methods based on the finite-field approach. The calculated Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) energies show that charge transfer occurs in the molecule. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. Conformation analysis was carried for 8C1M6PB by Potential energy surface scan to find all possible conformers with B3LYP method using 6-31G (d,p) basis set. The entropy of the title compound is also performed at HF/6-31G (d,p) and B3LYP/6-31G(d,p) levels of theory. In addition, the thermodynamic properties of the compound were calculated at different temperatures and corresponding relations between the properties and temperature were also studied.

  15. Vanadium(V) tartrato complexes: speciation in the H3O+(OH-)/H2VO4-/(2R,3R)-tartrate system and X-ray crystal structures of Na4[V4O8(rac-tart)2].12H2O and (NEt4)4[V4O8((R,R)-tart)2].6H2O (tart = C4H2O6(4-)).

    PubMed

    Schwendt, Peter; Tracey, Alan S; Tatiersky, Jozef; Gáliková, Jana; Zák, Zdirad

    2007-05-14

    A study of the aqueous H3O+(OH-)/H2VO4-/(2R,3R)-tartrate system has been performed at 273 K in a 1.0 mol/L Na+(Cl-) ionic medium using 51V NMR spectroscopy. In this relatively complicated system, more than 12 different species were observed. Ligand concentration, vanadate concentration, and pH variation studies were carried out, particularly for the range of pH 5.8-8.0 and for pH 2.4. Chemical shifts, vanadium-ligand stoichiometry, and also composition and formation constants for some, but not all, species are given. Despite some reduction of vanadium(V) to vanadium(IV) in an acidic medium at pH approximately 2.4, the stoichiometries of the principal species in solution at this pH were determined. Electrospray ionization mass spectra for some solutions were obtained and were in accordance with the conclusions drawn from the speciation studies. A series of crystalline vanadium(V) tartrato complexes M4[V4O8(tart)2].aq were also prepared and characterized. X-ray diffraction studies of Na4[V4O8(rac-tart)2].12H2O (1) and (NEt4)4[V4O8((R,R)-tart)2].6H2O (2) revealed unique tetranuclear [V4O8(tart)2]4- ions for which the {V4O4} rings have boat conformations.

  16. Group 2 metal salts of pyromellitic acid: [Mg(H2O)6](C10H4O8) and [Ba(C10H4O8)(H2O)5].

    PubMed

    Dale, Sophie H; Elsegood, Mark R J; Kainth, Sarita

    2003-12-01

    Structural determinations of the magnesium(II) and barium(II) salts of pyromellitic acid (benzene-1,2,4,5-tetracarboxylic acid) are presented. Hexaaquamagnesium(II) benzene-1,2,4,5-tetracarboxylate(2-), [Mg(H(2)O)(6)](C(10)H(4)O(8)), (I), and pentaaqua[benzene-1,2,4,5-tetracarboxylato(2-)]barium(II), [Ba(C(10)H(4)O(8))(H(2)O)(5)], (II), are both centrosymmetric and both possess a 1:1 metal-ligand ratio, but the two structures are found to differ in that the magnesium salt contains a hexaaqua cation and possesses only hydrogen-bonding interactions between cations and anions, while the barium salt exhibits coordination of the carboxylate ligand to the nine-coordinate metal centre. In (I), both ions sit on a 2/m site symmetry, and in (II), the cation and anion are located on m and i site symmetries, respectively.

  17. Synthesis and biological evaluation of a novel series of 6,8-dibromo-4(3H)quinazolinone derivatives as anticancer agents.

    PubMed

    Ahmed, Marwa F; Youns, Mahmoud

    2013-08-01

    Three novel series of 6,8-dibromo-4(3H)quinazolinone derivatives were synthesized. Some of the novel quinazolinone derivatives were tested for their antitumor activity against the human breast carcinoma cell line MCF-7. Compounds XIIIb, IX, XIVd, XIVb, XIVe, XIIIa, XIVc, XVc, and XIVa exerted powerful cytotoxic effects against the MCF7 cells, with very low IC50 values compared to doxorubicin (positive control). The IC50 values were 1.7, 1.8, 1.83, 5.4, 6.84, 10.8, 13.9, 15.7, and 29.6 µg/mL, respectively.

  18. Site characterization plan: Yucca Mountain Site, Nevada Research and Development Area, Nevada: Volume 6, Part B: Chapter 8, Sections 8.3.2 through 8.3.4.4

    SciTech Connect

    1988-12-01

    This site characterization plan (SCP) has been developed for the candidate repository site at Yucca Mountain in the State of Nevada. The SCP includes a description of the Yucca Mountain site (Chapters 1-5), a conceptual design for the repository (Chapter 6), a description of the packaging to be used for the waste to be emplaced in the repository (Chapter 7), and a description of the planned site characterization activities (Chapter 8). The schedules and milestones presented in Sections 8.3 and 8.5 of the SCP were developed to be consistent with the June 1988 draft Amendment to the DOE`s Mission Plan for the Civilian Radioactive Waste Management Program. The five month delay in the scheduled start of exploratory shaft construction that was announced recently is not reflected in these schedules. 35 figs., 70 tabs.

  19. Dimeric procyanidins: screening for B1 to B8 and semisynthetic preparation of B3, B4, B6, And B8 from a polymeric procyanidin fraction of white willow bark (Salix alba).

    PubMed

    Esatbeyoglu, Tuba; Wray, Victor; Winterhalter, Peter

    2010-07-14

    Fifty-seven samples have been analyzed with regard to the occurrence of dimeric procyanidins B1-B8 as well as the composition of polymeric procyanidins. Fifty-two samples were found to contain polymeric procyanidins. In most of the samples, (-)-epicatechin was the predominant unit present. In white willow bark (Salix alba), however, large amounts of (+)-catechin (81.0%) were determined by means of phloroglucinolysis. White willow bark has therefore been used for the semisynthetic formation of dimeric procyanidins B3 [(+)-C-4alpha --> 8-(+)-C)], B4 [(+)-C-4alpha --> 8-(-)-EC)], B6 [(+)-C-4alpha --> 6-(+)-C)], and B8 [(+)-C-4alpha --> 6-(-)-EC)]. The reaction mixtures of the semisynthesis were successfully fractionated with high-speed countercurrent chromatography (HSCCC), and dimeric procyanidins B3, B4, B6, and B8 were obtained on a preparative scale.

  20. Proceedings of the International Conference on Educational Data Mining (EDM) (4th, Eindhoven, the Netherlands, July 6-8, 2011)

    ERIC Educational Resources Information Center

    Pechenizkiy, Mykola; Calders, Toon; Conati, Cristina; Ventura, Sebastian; Romero, Cristobal; Stamper, John

    2011-01-01

    The 4th International Conference on Educational Data Mining (EDM 2011) brings together researchers from computer science, education, psychology, psychometrics, and statistics to analyze large datasets to answer educational research questions. The conference, held in Eindhoven, The Netherlands, July 6-9, 2011, follows the three previous editions…

  1. Photoluminescent and magnetic properties of lanthanide containing apatites: NaxLn10-x(SiO4)6O2-yFy, CaxLn10-x(SiO4)6O2-yFy (Ln = Eu, Gd, and Sm), Gd9.34(SiO4)6O2, and K1.32Pr8.68(SiO4)6O1.36F0.64.

    PubMed

    Latshaw, Allison M; Hughey, Kendall D; Smith, Mark D; Yeon, Jeongho; Zur Loye, Hans-Conrad

    2015-02-02

    Single crystals of NaEu(9)(SiO(4))(6)O(2), Na(1.5)Eu(8.5)(SiO(4))(6)OF, Na(1.64)Gd(8.36)(SiO(4))(6)O(0.72)F(1.28), Gd(9.34)(SiO(4))(6)O(2), Ca(2.6)Eu(7.4)(SiO(4))(6)O(1.4)F(0.6), Ca(4.02)Sm(5.98)(SiO(4))(6)F(2), and K(1.32)Pr(8.68)(SiO(4))(6)O(1.36)F(0.64) and powders of NaEu(9)(SiO(4))(6)O(2), Na(1.5)Eu(8.5)(SiO(4))(6)OF, Eu(9.34)(SiO(4))(6)O(2), and Gd(9.34)(SiO(4))(6)O(2) were synthesized via flux growth in selected alkali-fluoride melts. All of the compounds adopt the apatite structure with space group P6(3)/m. Luminescence and magnetic data were collected on NaEu(9)(SiO(4))(6)O(2), Na(1.5)Eu(8.5)(SiO(4))(6)OF, Eu(9.34)(SiO(4))(6)O(2), and Gd(9.34)(SiO(4))(6)O(2). Luminescent data indicate that changing the cations and anions that surround the lanthanide site does not change the luminescent properties, making apatites versatile structures for optical materials.

  2. Diversity of lanthanide(III)-organic extended frameworks with a 4,8-disulfonyl-2,6-naphthalenedicarboxylic acid ligand: syntheses, structures, and magnetic and luminescent properties.

    PubMed

    Liu, Qing-Yan; Wang, Wu-Fang; Wang, Yu-Ling; Shan, Zeng-Mei; Wang, Ming-Sheng; Tang, Jinkui

    2012-02-20

    A sulfonate-carboxylate ligand, 4,8-disulfonyl-2,6-naphthalenedicarboxylic acid (H(4)-DSNDA), and eight new lanthanide coordination polymers {[Pr(4)(OH)(4)(DSNDA)(2)(H(2)O)(12)](H(2)O)(10)}(n) (1), [Ln(H(2)-DSNDA)(0.5)(DSNDA)(0.5)(H(2)O)(5)](n) (Ln = La(2), Nd(3), Sm(4), Eu(5), Gd(6), and Dy(7)), and {[Er(H-DSNDA)(H(2)O)(4)](H(2)O)}(n) (8) have been synthesized. Detailed crystal structures of these compounds have been investigated. Compound 1 has a 3D framework featuring the unique cubane-shaped [Pr(4)(μ(3)-OH)(4)] clusters and is a binodal 4,8-connected network with (4(16)·6(12))(4(46(2))(2) topology. Compounds 2-7 are isostructural and have 2D layered structures. Compound 8 is also a 2D layer but belongs to different structural types. The luminescence behavior of compound Eu(5) shows that the π-rich aromatic organic ligands efficiently transfer the absorbed light energy to the Eu(III) ions, thus enhancing the overall luminescent properties of compound Eu(5). The magnetic properties of all compounds except for the diamagnetic La(2) compound have been investigated. In addition, elemental analysis, IR spectra, and thermogravimetric analysis of these compounds are also described.

  3. Theoretical investigations of a high density cage compound 10-(1-nitro-1, 2, 3, 4-tetraazol-5-yl)) methyl-2, 4, 6, 8, 12-hexanitrohexaazaisowurtzitane.

    PubMed

    Zhang, Jian-ying; Du, Hong-chen; Wang, Fang; Gong, Xue-dong; Huang, Yin-sheng

    2012-01-01

    A new polynitro cage compound with the framework of HNIW and a tetrazole unit, i.e., 10-(1-nitro-1, 2, 3, 4-tetraazol-5-yl)) methyl-2, 4, 6, 8, 12-hexanitrohexaazaisowurtzitane (NTz-HNIW) has been proposed and studied by density functional theory (DFT) and molecular mechanics methods. Properties such as IR spectrum, heat of formation, thermodynamic properties, and crystal structure were predicted. The compound belongs to the Pbca space group, with the lattice parameters a = 15.07 Å, b = 12.56 Å, c = 18.34 Å, Z = 8, and ρ = 1.990 g·cm(-3). The stability of the compound was evaluated by the bond dissociation energies and results showed that the first step of pyrolysis is the rupture of the N-NO(2) bond in the side chain. The detonation properties were estimated by the Kamlet-Jacobs equations based on the calculated crystal density and heat of formation, and the results were 9.240 km·s(-1) for detonation velocity and 40.136 GPa for detonation pressure. The designed compound has high thermal stability and good detonation properties and is probably a promising high energy density compound (HEDC).

  4. Theoretical investigation of a novel high density cage compound 4,8,11,14,15-pentanitro-2,6,9,13-tetraoxa-4,8,11,14,15-pentaazaheptacyclo[5.5.1.1(3,11).1(5,9)] pentadecane.

    PubMed

    Lin, He; Zhu, Shun-guan; Zhang, Lin; Peng, Xin-hua; Chen, Peng-yuan; Li, Hong-zhen

    2013-03-01

    A novel polynitro cage compound 4,8,11,14,15-pentanitro-2,6,9,13-tetraoxa-4,8,11,14,15-pentaazaheptacyclo [5.5.1.1(3,11).1(5,9)]pentadecane(PNTOPAHP) has been designed and investigated at the DFT-B3LYP/6-31(d) level. Properties, such as electronic structure, IR spectrum, heat of formation, thermodynamic properties and crystal structure have been predicted. This compound is most likely to crystallize in C2/c space group, and the corresponding cell parameters are Z = 8, a = 29.78 Å, b = 6.42 Å, c = 32.69 Å, α = 90.00°, β = 151.05°, γ = 90.00° and ρ = 1.94 g/cm(3). In addition, the detonation velocity and pressure have also been calculated by the empirical Kamlet-Jacobs equation. As a result, the detonation velocity and pressure of this compound are 9.82 km/s, 44.67 GPa, respectively, a little higher than those of 4,10-dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane(TEX, 9.28 km/s, 40.72 GPa). This compound has a comparable chemical stability to TEX, based on the N-NO(2) trigger bond length analysis. The bond dissociation energy ranges from 153.09 kJ mol(-1) to 186.04 kJ mol(-1), which indicates that this compound meets the thermal stability requirement as an exploitable HEDM.

  5. Structure and optical properties of KLa9(GeO4)6O2 and KLa8.37Eu0.63(GeO4)6O2

    NASA Astrophysics Data System (ADS)

    Lipina, Olga A.; Surat, Ludmila L.; Tyutyunnik, Alexander P.; Enyashin, Andrey N.; Chufarov, Alexander Yu.; Zubkov, Vladimir G.

    2017-01-01

    New KLa9(GeO4)6O2 and KLa8.37Eu0.63(GeO4)6O2 germanates with the apatite structure type (space group P63/m, Z = 1) have been synthesized by the sol-gel method using ethylenediaminetetraacetic acid as a precursor and characterized by powder X-ray diffraction, scanning electron microscopy and diffuse reflectance spectroscopy. Density functional theory calculations reveal that KLa9(GeO4)6O2 is a direct bandgap material, and near-UV excitation leads to the electronic transitions from the O2p- orbitals to the Lad- and K4s- states. Photoluminescence measurements of the Eu3+-doped sample indicate emission in the visible spectral range corresponding to the characteristic transitions from the excited 5D0 and 5D1 levels in europium ion.

  6. Crystal structure of tris[(4,7,13,16,21,24-hexa-oxa-1,10-di-aza-bicyclo-[8.8.8]hexa-cosane-κ(8)N2,O6)rubidium] rubidium nona-stannide.

    PubMed

    Klein, Wilhelm; He, Haiyan; Fässler, Thomas F

    2017-02-01

    The crystal structure of the title compound, [Rb(C18H36N2O6)]3RbSn9, consists of deltahedral [Sn9](4-) cluster anions, Rb(+) cations and cryptand mol-ecules, which partially sequester the cations. Those cations, which are not coordinated by cryptand mol-ecules, are neighboured directly to the [Sn9](4-) clusters and inter-connect them to form ∞(1)[RbSn9](3-) chains. These chains extend parallel to [001] and are arranged in a pseudo-hexa-gonal rod packing, separated by the Rb-cryptand complex cations.

  7. Crystal structure of di-chlorido-(4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-deca-ne)iron(III) hexa-fluorido-phosphate.

    PubMed

    Funwie, Neil L; Cain, Amy N; Fanning, Brian Z; Hageman, Serena A; Mullens, Malorie; Roberts, Travis K; Turner, Daniel J; Valdez, Cammi N; Vaughan, Robert W; Ermias, Henok G; Silversides, Jon D; Archibald, Stephen J; Hubin, Timothy J; Prior, Timothy J

    2015-09-01

    The title compound, [FeCl2(C14H30N4)]PF6, contains Fe(3+) coordinated by the four nitro-gen atoms of an ethyl-ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa-hedral environment. In contrast to other similar compounds this is a monomer. Inter-molecular C-H⋯Cl inter-actions exist in the structure between the complex ions. Comparison with the mononuclear Fe(2+) complex of the same ligand shows that the smaller Fe(3+) ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the μ-oxido dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-decane prevent dimerization upon oxidation.

  8. Cellulose nanofibrils prepared from softwood cellulose by TEMPO/NaClO/NaClO₂ systems in water at pH 4.8 or 6.8.

    PubMed

    Tanaka, Reina; Saito, Tsuguyuki; Isogai, Akira

    2012-10-01

    Catalytic oxidation of softwood cellulose using NaClO and either 2,2,6,6-tetramethylpiperidine-1-oxyl (4-H-TEMPO) or 4-acetamido-TEMPO (4-AcNH-TEMPO) was applied with NaClO(2) used as a primary oxidant in an aqueous buffer at pH 4.8 or 6.8. When the 4-AcNH-TEMPO-mediated oxidation was applied to softwood cellulose in water at pH 4.8 and 40 °C, the carboxylate content rose to ∼1.3 mmol/g after reaction for 48 h and the DP(v) value was more than 1100. This 4-AcNH-TEMPO-oxidized softwood cellulose was mostly converted to individual nanofibrils by mechanical disintegration in water, with uniform widths of 3-4 nm and lengths greater than 1 μm.

  9. ATP-dependent unwinding of U4/U6 snRNAs by the Brr2 helicase requires the C terminus of Prp8.

    PubMed

    Maeder, Corina; Kutach, Alan K; Guthrie, Christine

    2009-01-01

    The spliceosome is a highly dynamic machine requiring multiple RNA-dependent ATPases of the DExD/H-box family. A fundamental unanswered question is how their activities are regulated. Brr2 function is necessary for unwinding the U4/U6 duplex, a step essential for catalytic activation of the spliceosome. Here we show that Brr2-dependent dissociation of U4/U6 snRNAs in vitro is activated by a fragment from the C terminus of the U5 snRNP protein Prp8. In contrast to its helicase-stimulating activity, this fragment inhibits Brr2 U4/U6-dependent ATPase activity. Notably, U4/U6 unwinding activity is not stimulated by fragments carrying alleles of prp8 that in humans confers an autosomal dominant form of retinitis pigmentosa. Because Brr2 activity must be restricted to prevent premature catalytic activation, our results have important implications for fidelity maintenance in the spliceosome.

  10. Quantitative Analysis of CF4 Produced in the SiO2 Etching Process Using c-C4F8, C3F8, and C2F6 Plasmas by In Situ Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Furuya, Kenji; Hatano, Yoshihiko

    2004-01-01

    The use of CF32+ as a specific product ion to selectively quantify CF4 produced in the SiO2 etching process using plasmas of perfluorocompounds (PFCs), such as c-C4F8, C3F8, and C2F6, has been proposed and investigated in the present experiments by measuring mass spectra inside and outside the plasmas. It is known that the CF32+ ion does not appear in the mass spectra of any stable PFCs, except for CF4. It is confirmed in the present experiments that the quantity of CF32+ originating from the CF3 radical in the mass spectra measured in situ is negligible. Other unstable chemical species in the plasmas are too small in quantity to explain the intensity of CF32+ appearing in the mass spectra measured in situ, even if they could produce stable CF32+ by ionization. It is therefore concluded that CF32+ can be used as a fingerprint of CF4 in mass spectrometry. Application of this new method for the quantitative analysis of CF4 produced in the SiO2 etching process using PFC plasmas results in CF4 production advancing significantly not only in the etching region of SiO2 but also in the downstream region of the plasmas.

  11. An efficient synthesis of 3,4-Dihydrofuro [3,4-B] [1,4] dioxepine-6,8-dicarboxylic Acid

    NASA Astrophysics Data System (ADS)

    DENG, D. D.; WANG, L. P.; YAN, H. W.; SUN, X. X.; WANG, Z.

    2017-01-01

    As a class of important conjugated polymers, electroluminescent material of polyfuran possess a lot of merits, including good stability, structure is easy to be modified and controllable electrochemical properties. This study uses ethylene diglycol, diethyl oxalate, 1,3- dibromopropane and so on as raw materials to synthesize 3, 4 - ethylenedioxy furan monomer and similar derivatives via oxidation, acetylation, hydrolysis and elimination reaction, etc.

  12. Spectrophotometric determination of zirconium with 2-(1-hydroxy-4,6-dinitro-2-phenylazo)-1,8-dihydroxynaphthalene-3,6-disulphonate (picramine ca) as chromogenic reagent.

    PubMed

    Goyal, S S; Tandon, J P

    1968-09-01

    The title compound has been used as a selective reagent for the micro-determination of zirconium in acidic medium (0.5MHCl) and found to be better than Picramine R. Spectrophotometric studies show the formation of a 2:1 (ligand:Zr) water-soluble complex and the reaction is suitable for photometric determination of 0.4-2.8 ppm of zirconium. The colour takes about 90 min to develop fully and is stable for about 20 hr. The molar absorptivity of the complex is 2.4 x 10(4) and the equilibrium constant is of the order of 10(10). The interference due to a number of ions has been studied.

  13. WARM SPITZER OBSERVATIONS OF THREE HOT EXOPLANETS: XO-4b, HAT-P-6b, AND HAT-P-8b

    SciTech Connect

    Todorov, Kamen O.; Deming, Drake; Knutson, Heather A.; Burrows, Adam; Sada, Pedro V.; Cowan, Nicolas B.; Agol, Eric; Desert, Jean-Michel; Charbonneau, David; Fortney, Jonathan J.; Laughlin, Gregory; Langton, Jonathan; Showman, Adam P.; Lewis, Nikole K.

    2012-02-10

    We analyze Warm Spitzer/Infrared Array Camera observations of the secondary eclipses of three planets, XO-4b, HAT-P-6b, and HAT-P-8b. We measure secondary eclipse amplitudes at 3.6 {mu}m and 4.5 {mu}m for each target. XO-4b exhibits a stronger eclipse depth at 4.5 {mu}m than at 3.6 {mu}m, which is consistent with the presence of a temperature inversion. HAT-P-8b shows a stronger eclipse amplitude at 3.6 {mu}m and is best described by models without a temperature inversion. The eclipse depths of HAT-P-6b can be fitted with models with a small or no temperature inversion. We consider our results in the context of a postulated relationship between stellar activity and temperature inversion and a relationship between irradiation level and planet dayside temperature, as discussed by Knutson et al. and Cowan and Agol, respectively. Our results are consistent with these hypotheses, but do not significantly strengthen them. To measure accurate secondary eclipse central phases, we require accurate ephemerides. We obtain primary transit observations and supplement them with publicly available observations to update the orbital ephemerides of the three planets. Based on the secondary eclipse timing, we set upper boundaries for ecos ({omega}) for HAT-P-6b, HAT-P-8b, and XO-4b and find that the values are consistent with circular orbits.

  14. Infrared band intensities and global warming potentials of CF4, C2F6, C3F8, C4F10, C5F12, and C6F14

    NASA Astrophysics Data System (ADS)

    Roehl, C. M.; Boglu, D.; Brühl, C.; Moortgat, G. K.

    1995-04-01

    IR band intensities have been measured for the species: CF4, C2F6, C3F8, C4F10, C5F12, and C6F14 via Fourier transform spectroscopy and compared to previous literature values if available. Relative radiative forcing calculations have been performed using these data in order to determine the global warming potential of the particular species. The relative forcing (compared to CFC11, per volume) increases with molecular weight in the above series from 0.47 to 2.1, the GWP for a time horizon of 100 yrs from 1.1 to 4.7. This corresponds to a GWP on CO2 basis per mass of about 5000.

  15. Nevadaite, (Cu2+, Al, V3+)6 [Al8 (PO4)8 F8] (OH 2 (H2O)22, a new phosphate mineral species from the Gold Quarry mine, Carlin, Eureka County, Nevada: description and crystal structure

    USGS Publications Warehouse

    Cooper, M.A.; Hawthorne, F.C.; Roberts, Andrew C.; Foord, E.E.; Erd, Richard C.; Evans, H.T.; Jensen, M.C.

    2004-01-01

    Nevadaite, (Cu2+, ???, Al, V3+)6 (PO4)8 F8 (OH)2 (H2O)22, is a new supergene mineral species from the Gold Quarry mine, near Carlin, Eureka County, Nevada, U.S.A. Nevadaite forms radiating clusters to 1 mm of prismatic crystals, locally covering surfaces more that 2 cm across; individual crystals are elongate on [001] with a length:width ratio of > 10:1 and a maximum diameter of ???30 ??m. It also occurs as spherules and druses associated with colorless to purple-black fluellite, colorless wavellite, strengitevariscite, acicular maroon-to-red hewettite, and rare anatase, kazakhstanite, tinticite, leucophosphite, torbernite and tyuyamunite. Nevadaite is pale green to turquoise blue with a pale powder-blue streak and a vitreous luster; it does not fluoresce under ultra-violet light. It has no cleavage, a Mohs hardness of ???3, is brittle with a conchoidal fracture, and has measured and calculated densities of 2.54 and 2.55 g/cm3, respectively. Nevadaite is biaxial negative, with ?? 1.540, ?? 1.548, ?? 1.553, 2V(obs.) = 76??, 2V(calc.) = 76??, pleochroic with X pale greenish blue, Y very pale greenish blue, Z blue, and with absorption Z ??? X > Y and orientation X = c, Y = a, Z = b. Nevadaite is orthorhombic, space group P21mn, a 12.123(2), b 18.999(2), c 4.961(1) A?? , V 1142.8(2) A??3, Z = 1, a:b:c = 0.6391:1:0.2611. The strongest seven lines in the X-ray powder-diffraction pattern [d in A??(I)(hkl)] are: 6.077(10)(200), 5.618(9)(130), 9.535(8)(020), 2.983(6)(241), 3.430(4)(041), 2.661(4)(061 , and 1.844(4)(352). A chemical analysis with an electron microprobe gave P2O5 32.54, Al2O3 27.07, V2O3 4.24, Fe2O3 0.07, CuO 9.24, ZnO 0.11, F 9.22, H2O (calc.) 23.48, OH ??? F -3.88, sum 102.09 wt.%; the valence states of V and Fe, and the amount of H2O, were determined by crystal-structure analysis. The resulting empirical formula on the basis of 63.65 anions (including 21.65 H2O pfu) is (CU2+2.00 Zn0.02 V3+0.98 Fe3+0.01 Al1.15)??4.16 Al8 P7.90 O32 [F8.37 (OH 1.63]??10 (H2O

  16. Thermally stable compositions including 2,4,8,10-tetranitro-5H-pyrido[3',2':4,5][1,2,3]triazolo[1,2-a]benzotriazo- l-6-ium, inner salt

    DOEpatents

    Hiskey, Michael A.; Huynh, My Hang

    2010-01-26

    An explosive formulation including 2,4,8,10-tetranitro-5H-pyrido[3',2':4,5][1,2,3]triazolo[1,2-a]benzotriazo- l-6-ium, inner salt and a high temperature binder is disclosed together with a process of preparing 2,4,8,10-tetranitro-5H-pyrido[3',2':4,5][1,2,3]triazolo[1,2-a]benzotriazo- l-6-ium, inner salt.

  17. Modeling, Synthesis and Biological Evaluation of Potential Retinoid-X-Receptor (RXR) Selective Agonists: Novel Analogs of 4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic Acid (Bexarotene) and (E)-3-(3-(1,2,3,4-tetrahydro-1,1,4,4,6-pentamethylnaphthalen-7-yl)-4-hydroxyphenyl)acrylic acid (CD3254)

    PubMed Central

    Jurutka, Peter W.; Kaneko, Ichiro; Yang, Joanna; Bhogal, Jaskaran S.; Swierski, Johnathon C.; Tabacaru, Christa R.; Montano, Luis A.; Huynh, Chanh C.; Jama, Rabia A.; Mahelona, Ryan D.; Sarnowski, Joseph T.; Marcus, Lisa M.; Quezada, Alexis; Lemming, Brittney; Tedesco, Maria A.; Fischer, Audra J.; Mohamed, Said A.; Ziller, Joseph W.; Ma, Ning; Gray, Geoffrey M.; van der Vaart, Arjan; Marshall, Pamela A.; Wagner, Carl E.

    2014-01-01

    Three unreported analogs of 4-[1-(3,5,5,8,8-pentamethyl-5-6-7-8-tetrahydro-2-naphthyl)ethynyl]benzoic acid (1), otherwise known as bexarotene, as well as four novel analogs of (E)-3-(3-(1,2,3,4-tetrahydro-1,1,4,4,6-pentamethylnaphthalen-7-yl)-4-hydroxyphenyl)acrylic acid (CD3254) are described, and evaluated for their retinoid-X-receptor (RXR)-selective agonism. Compound 1 has FDA approval as a treatment for cutaneous T-cell lymphoma (CTCL); though, treatment with 1 can elicit side-effects by disrupting other RXR-heterodimer receptor pathways. Of the 7 modeled novel compounds, all analogs stimulate RXR-regulated transcription in mammalian-2-hybrid and RXRE-mediated assays, possess comparable or elevated biological activity based on EC50 profiles, and retain similar or improved apoptotic activity in CTCL assays compared to 1. All novel compounds demonstrate selectivity for RXR and minimal crossover onto the retinoic-acid-receptor (RAR) compared to all-trans-retinoic acid, with select analogs also reducing inhibition of other RXR-dependent pathways (e.g., VDR-RXR). Our results demonstrate that further improvements in biological potency and selectivity of bexarotene can be achieved through rational drug design. PMID:24180745

  18. 11 CFR 8.4 - Contents.

    Code of Federal Regulations, 2010 CFR

    2008-01-01

    ... voter identification number, the state's Privacy Act notice required at 11 CFR 8.6(c) shall be reprinted... 11 Federal Elections 1 2008-01-01 2008-01-01 false Contents. 8.4 Section 8.4 Federal Elections... Voter Registration Form § 8.4 Contents. (a) Information about the applicant. The application...

  19. 11 CFR 8.4 - Contents.

    Code of Federal Regulations, 2010 CFR

    2009-01-01

    ... voter identification number, the state's Privacy Act notice required at 11 CFR 8.6(c) shall be reprinted... 11 Federal Elections 1 2009-01-01 2009-01-01 false Contents. 8.4 Section 8.4 Federal Elections... Voter Registration Form § 8.4 Contents. (a) Information about the applicant. The application...

  20. CO Substitution in HOs3(CO)10(l-SC6H4Me-4) by the Diphosphine 4,5-Bis(diphenylphosphino)-4-cyclopentadiene-1,3-dione (bpcd): Structural and DFT Evaluation of the Isomeric Clusters HOs3(CO)8(bpcd)(mu-SC6H4Me-4)

    SciTech Connect

    Yang, Li; Nesterov, Vladimir; Wang, Xiaoping; Richmond, Michael G.

    2012-01-01

    The reaction of the cluster HOs{sub 3}(CO){sub 10}({mu}-SC{sub 6}H{sub 4}Me-4) (1) with the diphosphine 4,5-bis(diphenylphosphino)-4-cyclopentadiene-1,3-dione (bpcd) has been investigated. 1 reacts with bpcd at room temperature in the presence of Me{sub 3}NO to give the isomeric clusters 1,2-HOs{sub 3}(CO)8(bpcd)({mu}-SC{sub 6}H{sub 4}Me-4) (2a) and 1,1-HOs{sub 3}(CO)8(bpcd)({mu}-SC{sub 6}H{sub 4}Me-4) (2b). Clusters 2a and 2b have been isolated, and the molecular structure of each compound has been established by X-ray crystallography. The X-ray structure of 2a confirms the coordination of one of the non-hydride-bridged Os-Os vectors by the bpcd ligand, while the structure of 2b exhibits a chelating bpcd ligand that is bound to one of the osmium centers ligated by the thiolate and hydrido ligands. 2a and 2b are stable in refluxing toluene and show no evidence for bridge-to-chelate isomerization of the ancillary bpcd ligand. DFT calculations on 2a and 2b indicate that the former cluster is the thermodynamically more stable isomer. Near-UV irradiation of 2b leads to CO loss and ortho metalation of the thiolate moiety, yielding the dihydride cluster H{sub 2}Os{sub 3}(CO)7(bpcd)({mu},{sigma}-SC{sub 6}H{sub 3}Me-4) (3). The conversion of 2b to 3 and free CO is computed to be endothermic by 14.1 kcal/mol and the reaction is driven by the entropic release of CO. The photochemically promoted ortho-metalation reaction is isomer dependent since cluster 2a is inert under identical conditions.

  1. Theoretical computation of thermophysical properties of high-temperature F2, CF4, C2F2, C2F4, C2F6, C3F6 and C3F8 plasmas

    NASA Astrophysics Data System (ADS)

    Wang, WeiZong; Wu, Yi; Rong, MingZhe; Éhn, László; Černušák, Ivan

    2012-07-01

    The calculated values of thermodynamic and transport properties of pure F2 and fluorocarbon compounds CF4, C2F2, C2F4, C2F6, C3F6 and C3F8 at high temperatures are presented in this paper. The thermodynamic properties are determined by the method of Gibbs free energy minimization, using standard thermodynamic tables. The transport properties, including electron diffusion coefficients, viscosity, thermal conductivity and electrical conductivity, are evaluated using the Chapman-Enskog method expanded up to the third-order approximation (second order for viscosity). The most accurate cross-section data that could be located are used to evaluate collision integrals. The calculations based on the assumption of local thermodynamic equilibrium are performed for atmospheric-pressure plasmas in the temperature range from 300 to 30 000 K for different pressures between 0.1 and 10 atm. The results of F2, CF4, C2F2, C2F4 and C2F6 are compared with those of previously published studies. Larger discrepancies occur for transport coefficients; these are explained in terms of the different values of the collision integrals that were used. The results presented here are expected to be more accurate because of the improved collision integrals employed.

  2. (9S,13R,14R)-7,8-Didehydro-3,4,7-trimeth-oxy-17-methyl-morphinan-6-one.

    PubMed

    Li, Yu-Feng; Qian, Yi; Yin, Li-He; Lv, Ran; Zhu, Hong-Jun

    2009-03-06

    The title compound, C(20)H(25)NO(4), was synthesized by a Mitsunobu reaction of sinomenine [(9S,13R,14R)-7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one] with methanol. The chiral centers were unchanged during the reaction. Intra-molecular C-H⋯O hydrogen bonds result in the formation of six-membered rings.

  3. Synthesis, in vitro antimycobacterial evaluation and docking studies of some new 5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one schiff bases.

    PubMed

    Malothu, Narender; Bhandaru, Jaswanth S; Kulandaivelu, Umasankar; Jojula, Malathi; Adidala, Raghuram Reddy; K R, Umadevi; A V N, Dusthackeer; Kaki, Venkat Rao; Akkinepally, Raghuram R

    2016-02-01

    Development of multidrug resistant (MDR) and extensively drug resistant (XDR) tuberculosis (TB) has been considered as major health burden, globally. In order to develop novel, potential molecules against drug resistant TB, twenty two (22) new 3-substituted-7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (6a-k) and 3-substituted-7-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (7a-k) derivatives were designed and synthesized by using appropriate synthetic protocols. Pantothenate synthetase (PS) was considered as the target for the molecular docking studies and evaluated the binding pattern at active site, as PS plays a significant role in the biosynthesis of pantothenate in Mycobacterium tuberculosis (MTB). The preliminary in vitro antibacterial screening of test compounds was carried out against two strains of Gram-positive (Bacillus subtilis and Staphylococcus aureus) and Gram-negative (Escherichia coli and Klebsiella pneumoniae) bacteria. The antimycobacterial screening was performed against MTB H37Rv and an isoniazid-resistant clinical isolate of MTB. The compounds 6b, 6c, 6d, 6k, 7b, 7c, 7d and 7k exhibited promising antibacterial activity MIC in the range of 15-73 μM against all bacterial strains used and compounds 6d and 7b showed antimycobacterial activity (IC50 <340 μM in LRP assay) and (MIC <9 μM in broth microdilution method).

  4. Radiation-induced amorphization of Ce-doped Mg2Y8(SiO4)6O2 silicate apatite

    NASA Astrophysics Data System (ADS)

    Zhou, Jianren; Yao, Tiankai; Lian, Jie; Shen, Yiqiang; Dong, Zhili; Lu, Fengyuan

    2016-07-01

    Ce-doped Mg2Y8(SiO4)6O2 silicate apatite (Ce = 0.05 and 0.5) were irradiated with 1 MeV Kr2+ ion beam irradiation at different temperatures and their radiation response and the cation composition dependence of the radiation-induced amorphization were studied by in situ TEM. The two Ce-doped Mg2Y8(SiO4)6O2 silicate apatites are sensitive to ion beam induced amorphization with a low critical dose (0.096 dpa) at room temperature, and exhibits significantly different radiation tolerance at elevated temperatures. Ce concentration at the apatite AI site plays a critical role in determining the radiation response of this silicate apatite, in which the Ce3+ rich Mg2Y7.5Ce0.5(SiO4)6O2 displays lower amorphization susceptibility than Mg2Y7.95Ce0.05(SiO4)6O2 with a lower Ce3+ occupancy at the AI sites. The critical temperature (Tc) and activation energy (Ea) change from 667.5 ± 33 K and 0.162 eV of Mg2Y7.5Ce0.5(SiO4)6O2 to 963.6 ± 64 K and 0.206 eV of Mg2Y7.95Ce0.05(SiO4)6O2. We demonstrate that the radiation tolerance can be controlled by varying the chemical composition, and enhanced radiation tolerance is achieved by increasing the Ce concentration at the AI site.

  5. 1,5-Dichloro-3(2,7),7(2,7)-dinaphthal-ena-2,4,6,8-tetra-oxa-1(2,6),5(2,6)-di(1,3,5-triazina)octa-phane.

    PubMed

    Sang, Qiu-Guang; Yang, Jing-Kui

    2011-09-01

    In the macrocyclic title compound, C(26)H(12)Cl(2)N(6)O(4), an O-atom-bridged calix[2]naphthalene-[2]triazine synthesized using a one-pot approach from naphthalene-2,7-diol and cyanuric chloride, the two isolated naphthalene planes and the two triazine-2,6-di-oxy planes adopt a 1,3-alternate configuration, with a dihedral angle of 84.10 (8)° between the naphthalene rings and a dihedral angle of 39.02 (14)° between the triazine rings. In the crystal, weak inter-molecular π-π stacking inter-actions are found between face-to-face naphthalene rings [centroid-centroid distance = 3.662 (7) Å].

  6. DNA Sequence Modulates Geometrical Isomerism of the trans-8,9-Dihydro-8-(2,6-diamino-4-oxo-3,4-dihydropyrimid-5-yl-formamido)-9-hydroxy Aflatoxin B1 Adduct

    PubMed Central

    2016-01-01

    Aflatoxin B1 (AFB1), a mycotoxin produced by Aspergillus flavus, is oxidized by cytochrome P450 enzymes to aflatoxin B1-8,9-epoxide, which alkylates DNA at N7-dG. Under basic conditions, this N7-dG adduct rearranges to yield the trans-8,9-dihydro-8-(2,6-diamino-4-oxo-3,4-dihydropyrimid-5-yl-formamido)-9-hydroxy aflatoxin B1 (AFB1–FAPY) adduct. The AFB1–FAPY adduct exhibits geometrical isomerism involving the formamide moiety. NMR analyses of duplex oligodeoxynucleotides containing the 5′-XA-3′, 5′-XC-3′, 5′-XT-3′, and 5′-XY-3′ sequences (X = AFB1–FAPY; Y = 7-deaza-dG) demonstrate that the equilibrium between E and Z isomers is controlled by major groove hydrogen bonding interactions. Structural analysis of the adduct in the 5′-XA-3′ sequence indicates the preference of the E isomer of the formamide group, attributed to formation of a hydrogen bond between the formyl oxygen and the N6 exocyclic amino group of the 3′-neighbor adenine. While the 5′-XA-3′ sequence exhibits the E isomer, the 5′-XC-3′ sequence exhibits a 7:3 E:Z ratio at equilibrium at 283 K. The E isomer is favored by a hydrogen bond between the formyl oxygen and the N4-dC exocyclic amino group of the 3′-neighbor cytosine. The 5′-XT-3′ and 5′-XY-3′ sequences cannot form such a hydrogen bond between the formyl oxygen and the 3′-neighbor T or Y, respectively, and in these sequence contexts the Z isomer is favored. Additional equilibria between α and β anomers and the potential to exhibit atropisomers about the C5–N5 bond do not depend upon sequence. In each of the four DNA sequences, the AFB1–FAPY adduct maintains the β deoxyribose configuration. Each of these four sequences feature the atropisomer of the AFB1 moiety that is intercalated above the 5′-face of the damaged guanine. This enforces the Ra axial conformation for the C5–N5 bond. PMID:25587868

  7. DNA Sequence Modulates Geometrical Isomerism of the trans-8,9- Dihydro-8-(2,6-diamino-4-oxo-3,4-dihydropyrimid-5-yl-formamido)- 9-hydroxy Aflatoxin B1 Adduct.

    PubMed

    Li, Liang; Brown, Kyle L; Ma, Ruidan; Stone, Michael P

    2015-02-16

    Aflatoxin B(1) (AFB(1)), a mycotoxin produced by Aspergillus flavus, is oxidized by cytochrome P450 enzymes to aflatoxin B(1)-8,9-epoxide, which alkylates DNA at N7-dG. Under basic conditions, this N7-dG adduct rearranges to yield the trans-8,9-dihydro-8-(2,6-diamino-4-oxo-3,4-dihydropyrimid-5-yl-formamido)-9-hydroxy aflatoxin B(1) (AFB(1)−FAPY) adduct. The AFB(1)−FAPY adduct exhibits geometrical isomerism involving the formamide moiety. NMR analyses of duplex oligodeoxynucleotides containing the 5′-XA-3′, 5′-XC-3′, 5′-XT-3′, and 5′-XY-3′ sequences (X = AFB(1)−FAPY; Y = 7-deaza-dG)demonstrate that the equilibrium between E and Z isomers is controlled by major groove hydrogen bonding interactions.Structural analysis of the adduct in the 5′-XA-3′ sequence indicates the preference of the E isomer of the formamide group,attributed to formation of a hydrogen bond between the formyl oxygen and the N(6) exocyclic amino group of the 3′-neighboradenine. While the 5′-XA-3′ sequence exhibits the E isomer, the 5′-XC-3′ sequence exhibits a 7:3 E:Z ratio at equilibrium at 283K. The E isomer is favored by a hydrogen bond between the formyl oxygen and the N(4)-dC exocyclic amino group of the 3′-neighbor cytosine. The 5′-XT-3′ and 5′-XY-3′ sequences cannot form such a hydrogen bond between the formyl oxygen and the 3′-neighbor T or Y, respectively, and in these sequence contexts the Z isomer is favored. Additional equilibria between α and β anomers and the potential to exhibit atropisomers about the C5−N(5) bond do not depend upon sequence. In each of the four DNA sequences, the AFB(1)−FAPY adduct maintains the β deoxyribose configuration. Each of these four sequences feature the atropisomer of the AFB(1) moiety that is intercalated above the 5′-face of the damaged guanine. This enforces the Ra axialc onformation for the C5−N(5) bond.

  8. Global emission estimates and radiative impact of C4F10, C5F12, C6F14, C7F16 and C8F18

    NASA Astrophysics Data System (ADS)

    Ivy, D. J.; Rigby, M.; Baasandorj, M.; Burkholder, J. B.; Prinn, R. G.

    2012-08-01

    Global emission estimates based on new atmospheric observations are presented for the acylic high molecular weight perfluorocarbons (PFCs): decafluorobutane (C4F10), dodecafluoropentane (C5F12), tetradecafluorohexane (C6F14), hexadecafluoroheptane (C7F16) and octadecafluorooctane (C8F18). Emissions are estimated using a 3-dimensional chemical transport model and an inverse method that includes a growth constraint on emissions. The observations used in the inversion are based on newly measured archived air samples that cover a 39-yr period, from 1973 to 2011, and include 36 Northern Hemispheric and 46 Southern Hemispheric samples. The derived emission estimates show that global emission rates were largest in the 1980s and 1990s for C4F10 and C5F12, and in the 1990s for C6F14, C7F16 and C8F18. After a subsequent decline, emissions have remained relatively stable, within 20%, for the last 5 yr. Bottom-up emission estimates are available from the Emission Database for Global Atmospheric Research version 4.2 (EDGARv4.2) for C4F10, C5F12, C6F14 and C7F16, and inventories of C4F10, C5F12 and C6F14 are reported to the United Nations' Framework Convention on Climate Change (UNFCCC) by Annex 1 countries that have ratified the Kyoto Protocol. The atmospheric measurement-based emission estimates are 20 times larger than EDGARv4.2 for C4F10 and over three orders of magnitude larger for C5F12 (with 2008 EDGARv4.2 estimates for C5F12 at 9.6 kg yr-1, as compared to 67±53 t yr-1 as derived in this study). The derived emission estimates for C6F14 largely agree with the bottom-up estimates from EDGARv4.2. Moreover, the C7F16 emission estimates are comparable to those of EDGARv4.2 at their peak in the 1990s, albeit significant underestimation for the other time periods. There are no bottom-up emission estimates for C8F18, thus the emission rates reported here are the first for C8F18. The reported inventories for C4F10, C5F12 and C6F14 to UNFCCC are five to ten times lower than those

  9. Synthesis, characterization, stereochemistry and antibacterial activity of N-acyl-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonanes

    NASA Astrophysics Data System (ADS)

    Ponnuswamy, S.; Pushpalatha, S.; Akila, A.; Raghuvarman, B.; Aravindhan, S.

    2016-12-01

    Three new N-acyl-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonanes 3-5 have been synthesized. The structural characterization and the conformational preferences of the compounds 3-5 have been carried out using IR, 1D and 2D NMR spectral data. The NMR spectral data indicate that the N-acyl-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonanes 3-5 prefer to exist in twin-chair conformation with partial flattening at amide nitrogen end. In order to avoid A1,3-strain with coplanar acyl groups, the phenyl groups at the amide nitrogen end are forced to occupy axial orientation. X-ray crystal structure of the N-dichloroacetyl-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane 4 also supports the twin-chair conformation in the solid state. Furthermore, the antibacterial activity for the compounds 2-5 has been carried out.

  10. The Prp8 RNase H-like domain inhibits Brr2-mediated U4/U6 snRNA unwinding by blocking Brr2 loading onto the U4 snRNA.

    PubMed

    Mozaffari-Jovin, Sina; Santos, Karine F; Hsiao, He-Hsuan; Will, Cindy L; Urlaub, Henning; Wahl, Markus C; Lührmann, Reinhard

    2012-11-01

    The spliceosomal RNA helicase Brr2 catalyzes unwinding of the U4/U6 snRNA duplex, an essential step for spliceosome catalytic activation. Brr2 is regulated in part by the spliceosomal Prp8 protein by an unknown mechanism. We demonstrate that the RNase H (RH) domain of yeast Prp8 binds U4/U6 small nuclear RNA (snRNA) with the single-stranded regions of U4 and U6 preceding U4/U6 stem I, contributing to its binding. Via cross-linking coupled with mass spectrometry, we identify RH domain residues that contact the U4/U6 snRNA. We further demonstrate that the same single-stranded region of U4 preceding U4/U6 stem I is recognized by Brr2, indicating that it translocates along U4 and first unwinds stem I of the U4/U6 duplex. Finally, we show that the RH domain of Prp8 interferes with U4/U6 unwinding by blocking Brr2's interaction with the U4 snRNA. Our data reveal a novel mechanism whereby Prp8 negatively regulates Brr2 and potentially prevents premature U4/U6 unwinding during splicing. They also support the idea that the RH domain acts as a platform for the exchange of U6 snRNA for U1 at the 5' splice site. Our results provide insights into the mechanism whereby Brr2 unwinds U4/U6 and show how this activity is potentially regulated prior to spliceosome activation.

  11. Replication Bypass of the trans-4-Hydroxynonenal-Derived (6S,8R,11S)-1,N2-Deoxyguanosine DNA Adduct by the Sulfolobus solfataricus DNA Polymerase IV

    PubMed Central

    2012-01-01

    trans-4-Hydroxynonenal (HNE) is the major peroxidation product of ω-6 polyunsaturated fatty acids in vivo. Michael addition of the N2-amino group of dGuo to HNE followed by ring closure of N1 onto the aldehyde results in four diastereomeric 1,N2-dGuo (1,N2-HNE-dGuo) adducts. The (6S,8R,11S)-HNE-1,N2-dGuo adduct was incorporated into the 18-mer templates 5′-d(TCATXGAATCCTTCCCCC)-3′ and d(TCACXGAATCCTTCCCCC)-3′, where X = (6S,8R,11S)-HNE-1,N2-dGuo adduct. These differed in the identity of the template 5′-neighbor base, which was either Thy or Cyt, respectively. Each of these templates was annealed with either a 13-mer primer 5′-d(GGGGGAAGGATTC)-3′ or a 14-mer primer 5′-d(GGGGGAAGGATTCC)-3′. The addition of dNTPs to the 13-mer primer allowed analysis of dNTP insertion opposite to the (6S,8R,11S)-HNE-1,N2-dGuo adduct, whereas the 14-mer primer allowed analysis of dNTP extension past a primed (6S,8R,11S)-HNE-1,N2-dGuo:dCyd pair. The Sulfolobus solfataricus P2 DNA polymerase IV (Dpo4) belongs to the Y-family of error-prone polymerases. Replication bypass studies in vitro reveal that this polymerase inserted dNTPs opposite the (6S,8R,11S)-HNE-1,N2-dGuo adduct in a sequence-specific manner. If the template 5′-neighbor base was dCyt, the polymerase inserted primarily dGTP, whereas if the template 5′-neighbor base was dThy, the polymerase inserted primarily dATP. The latter event would predict low levels of Gua → Thy mutations during replication bypass when the template 5′-neighbor base is dThy. When presented with a primed (6S,8R,11S)-HNE-1,N2-dGuo:dCyd pair, the polymerase conducted full-length primer extension. Structures for ternary (Dpo4-DNA-dNTP) complexes with all four template-primers were obtained. For the 18-mer:13-mer template-primers in which the polymerase was confronted with the (6S,8R,11S)-HNE-1,N2-dGuo adduct, the (6S,8R,11S)-1,N2-dGuo lesion remained in the ring-closed conformation at the active site. The incoming dNTP, either d

  12. Synthesis and SAR studies of novel 6,7,8-substituted 4-substituted benzyloxyquinolin-2(1H)-one derivatives for anticancer activity

    PubMed Central

    Chen, Yi-Fong; Lin, Yi-Chien; Morris-Natschke, Susan L; Wei, Chen-Fang; Shen, Ting-Chen; Lin, Hui-Yi; Hsu, Mei-Hua; Chou, Li-Chen; Zhao, Yu; Kuo, Sheng-Chu; Lee, Kuo-Hsiung; Huang, Li-Jiau

    2015-01-01

    Background and Purpose 4-Phenylquinolin-2(1H)-one (4-PQ) derivatives can induce cancer cell apoptosis. Additional new 4-PQ analogs were investigated as more effective, less toxic antitumour agents. Experimental Approach Forty-five 6,7,8-substituted 4-substituted benzyloxyquinolin-2(1H)-one derivatives were synthesized. Antiproliferative activities were evaluated using a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliun bromide assay and structure–activity relationship correlations were established. Compounds 9b, 9c, 9e and 11e were also evaluated against the National Cancer Institute-60 human cancer cell line panel. Hoechst 33258 and Annexin V-FITC/PI staining assays were used to detect apoptosis, while inhibition of microtubule polymerization was assayed by fluorescence microscopy. Effects on the cell cycle were assessed by flow cytometry and on apoptosis-related proteins (active caspase-3, -8 and -9, procaspase-3, -8, -9, PARP, Bid, Bcl-xL and Bcl-2) by Western blotting. Key Results Nine 6,7,8-substituted 4-substituted benzyloxyquinolin-2(1H)-one derivatives (7e, 8e, 9b, 9c, 9e, 10c, 10e, 11c and 11e) displayed high potency against HL-60, Hep3B, H460, and COLO 205 cancer cells (IC50 < 1 μM) without affecting Detroit 551 normal human cells (IC50 > 50 μM). Particularly, compound 11e exhibited nanomolar potency against COLO 205 cancer cells. Mechanistic studies indicated that compound 11e disrupted microtubule assembly and induced G2/M arrest, polyploidy and apoptosis via the intrinsic and extrinsic signalling pathways. Activation of JNK could play a role in TRAIL-induced COLO 205 apoptosis. Conclusion and Implications New quinolone derivatives were identified as potential pro-apoptotic agents. Compound 11e could be a promising lead compound for future antitumour agent development. PMID:25363404

  13. Isolation of a new compound, 2-butanone 4-glucopyranoside 6'-O-gallate and other 8 compounds from the anti-inflammatory leave extracts of Memecylon edule Roxb.

    PubMed

    Nualkaew, Somsak; Thongpraditchote, Suchitra; Wongkrajang, Yuwadee; Umehara, Kaoru; Noguchi, Hiroshi

    2017-06-01

    This present study was designed to isolate the compounds of Memecylon edule. The chemical compounds were purified by chromatographic methods and their structures were established on the basis of spectroscopic analyses (UV, MS and NMR). The major isolated compounds were tested for anti-inflammatory activity. The methanolic extracts of M. edule leaves gave a new compound 2-butanone 4-glucopyranoside 6'-O-gallate (1) with eight known compounds, namely, 3,3'-di-O-methylellagic acid 4-O-β-d-glucopyranoside (2), epigallocatechin-3-O-gallate (EGCG) (3), (2R, 3R)-dihydromyricetin-4'-β-d-glucopyranoside (4), myricetin-3-O-α-l-rhamnopyranoside (5), benzyl-(6-O-α-L arabinofuranosyl) O-β-d-glucopyranoside (6), benzyl-(6-O-α-l-rhanmopyranosyl) O-β-d-glucopyranoside (7), 2-phenylethyl-(6-O-β-d-apiofuranosyl)-O-β-d-glucopyranoside (8) and methyl benzoate 2-(6-O-α-l-rhamnosyl)-O-β-d-glucopyranoside (9). All compounds were isolated for the first time from this plant. The major compounds (2, 3 and 5) exhibited significant anti-inflammatory activity. In conclusion, M. edule was recognised to be a good source for phenolic compounds and these compounds may contribute to anti-inflammatory activity of the extract.

  14. Synthesis and Application of 1,3,4,5,7,8-Hexafluorotetracyanonaphthoquinodimethane (F6-TNAP): A Conductivity Dopant for Organic Light-Emitting Devices

    SciTech Connect

    Koech, Phillip K.; Padmaperuma, Asanga B.; Wang, Liang; Swensen, James S.; Polikarpov, Evgueni; Darsell, Jens T.; Rainbolt, James E.; Gaspar, Daniel J.

    2010-07-13

    We report the synthesis, photophysical and organic light-emitting device (OLED) properties of an organic molecular p-dopant 1,3,4,5,7,8-hexafluorotetracyanonaphthoquinodimethane (F6-TNAP). F6-TNAP was obtained in a three step 2 pot synthesis from commercially available octafluoronaphthalene. Doping effect of F6-TNAP was evaluated using films of 1-5% F6-TNAP with N,N'-di-1-naphthyl-N,N'-diphenyl-1,1'-biphenyl-4,4'diamineα-NPD) co-evaporated on quartz. UV-vis analysis of these films showed an absorption peak at 950 nm corresponding to the charge transfer complex resulting from electron transfer from α-NPD to F6-TNAP. Hole only devices using α-NPD as the hole transport layer (HTL) doped with F6-TNAP show greater than 2V decrease in operating voltage compared to the undoped device. A decrease in operating voltage was also demonstrated in blue OLED devices using F6-TNAP doped HTL, with a slight decrease in external quantum efficiency (EQE), thus resulting in a net improvement in power efficiency.

  15. Global emission estimates and radiative impact of C4F10, C5F12, C6F14, C7F16 and C8F18

    NASA Astrophysics Data System (ADS)

    Ivy, D. J.; Rigby, M.; Baasandorj, M.; Burkholder, J. B.; Prinn, R. G.

    2012-05-01

    Global emission estimates based on new atmospheric observations are presented for the acylic high molecular weight perfluorocarbons (PFCs): decafluorobutane (C4F10), dodecafluoropentane (C5F12), tetradecafluorohexane (C6F14), hexadecafluoroheptane (C7F16) and octadecafluorooctane (C8F18). Emissions are estimated using a 3-dimensional chemical transport model and an inverse method that includes a growth constraint on emissions. The observations used in the inversion are based on newly measured archived air samples that cover a 39-yr period, from 1973 to 2011, and include 36 Northern Hemispheric and 46 Southern Hemispheric samples (Ivy et al., 2012). The derived emission estimates show that global emission rates were largest in the 1980s and 1990s for C4F10 and C5F12, and in the 1990s for C6F14,C7F16 and C8F18. After a subsequent decline, emissions have remained relatively stable, within 20%, for the last 5 yr. Bottom-up emission estimates are available from the Emission Database for Global Atmospheric Research version 4.2 (EDGARv4.2) for C4F10, C5F12, C6F14 and C7F16, and inventories of C4F10, C5F12 andC6F14 are reported to the United Nations' Framework Convention on Climate Change (UNFCCC) by Annex 1 countries that have ratified the Kyoto Protocol. The atmospheric measurement based emission estimates are 20 times larger than EDGARv4.2 for C4F10 and over three orders of magnitude for C5F12. The derived emission estimates for C6F14 largely agree with the bottom-up estimates from EDGARv4.2. Moreover, the C7F16 emission estimates are comparable to those of EDGARv4.2 at their peak in the 1990s, albeit significant underestimation for the other time periods. There are no bottom-up emission estimates for C8F18, thus the emission rates reported here are the first for C8F18. The reported inventories for C4F10, C5F12 and C6F14 to UNFCCC are five to ten times lower than those estimated in this study. In addition, we present measured infrared absorption spectra for C7F16 and C8

  16. Fragmentation of the fluorite type in Fe8Al(17.4)Si(7.6): structural complexity in intermetallics dictated by the 18 electron rule.

    PubMed

    Fredrickson, Rie T; Fredrickson, Daniel C

    2012-10-01

    This Article presents the synthesis, structure determination, and bonding analysis of Fe(8)Al(17.4)Si(7.6). Fe(8)Al(17.4)Si(7.6) crystallizes in a new monoclinic structure type based on columns of the fluorite (CaF(2)) structure type. As such, the compound can be seen as part of a structural series in which the fluorite structure-adopted by several transition metal disilicides (TMSi(2))-is fragmented by the incorporation of Al. Electronic structure analysis using density functional theory (DFT) and DFT-calibrated Hückel calculations indicates that the fluorite-type TMSi(2) phases (TM = Co, Ni) exhibit density of states (DOS) pseudogaps near their Fermi energies. An analogous pseudogap occurs for Fe(8)Al(17.4)Si(7.6), revealing that its complex structure serves to preserve this stabilizing feature of the electronic structure. Pursuing the origins of these pseudogaps leads to a simple picture: the DOS minimum in the TMSi(2) structures arises via a bonding scheme analogous to those of 18 electron transition metal complexes. Replacement of Si with Al leads to the necessity of increasing the (Si/Al):TM ratio to maintain this valence electron concentration. The excess Si/Al atoms are accommodated through the fragmentation of the fluorite type. The resulting picture highlights how the elucidating power of bonding concepts from transition metal complexes can extend into the intermetallic realm.

  17. Crystal structure and luminescence properties of Bi3+activated Ca2Y8(SiO4)6O2 phosphors under near UV excitation

    NASA Astrophysics Data System (ADS)

    Sun, Zhihua; Wang, Minqiang; Yang, Zhi; Liu, Kaiping; Zhu, Feiyan

    2016-07-01

    Oxyapatite Ca2Y8-x(SiO4)6O2:xBi3+phosphor has been prepared via high temperature solid-state reaction. Its crystal structure and PL properties were investigated by X-ray diffraction, photoluminescence excitation and emission spectra. The results indicated that the Ca2Y8(SiO4)6O2 crystallizes as a hexagonal structure with a space group of P63/m and lattice constants of a=b=9.3507 Å, c=6.7899 Å, α=β=90.00°, γ=120.00°, V=514.14 Å3; The phosphor has two prominent emission bands: when excited under 320-360 nm, the phosphors emit a broad band centered at 495 nm due to the 3P1-1S0 transition of Bi3+ in 4f (C3) sites; when excited under 380 nm, the phosphors emit a broad band centered at 411 nm due to the 3P1-1S0 transition of Bi3+ in 6h (Cs) sites. The emission color varies from the greenish blue to blue as the excitation wavelength increases from 335 to 380 nm. The optimal intensity of emission band was observed when x=0.015 in the Ca2Y8-x(SiO4)6O2:xBi3+ series. The average critical distance Rc among Bi3+ ions is determined to be 20.15 Å.

  18. 6-(4-Amino-2-butyl-imidazoquinolyl)-norleucine: Toll-like receptor 7 and 8 agonist amino acid for self-adjuvanting peptide vaccine.

    PubMed

    Fujita, Yoshio; Hirai, Kazuyuki; Nishida, Keigo; Taguchi, Hiroaki

    2016-05-01

    Generally, small peptides by themselves are weak to induce antibody responses. Toll-like receptor (TLR) ligands are attractive candidates of vaccine adjuvants to improve their antigenicity. The covalent conjugation of TLR ligands with antigens to produce self-adjuvanting peptide vaccine is a promising approach. Based on the structure of TLR7/8 ligands, a series of synthetic amino acids 6-imidazoquinolyl-norleucines were synthesized, wherein an imidazoquinoline structure as the TLR7/8 agonistic pharmacophores was constructed on the ε-NH2 group of Lys. Of them, 6-(4-amino-2-butyl-imidazoquinolyl)-norleucine showed the most potent TLR7 and TLR8 agonistic activities with EC50 values of 8.55 and 106 μM, respectively. Subsequently, mice were immunized with the influenza A virus M2e antigen mixed with or covalently conjugated to the TLR7/8 agonist amino acid, which led to induction of M2e specific antibody productions in the absence of other adjuvant. We successfully developed a novel efficient tool for self-adjuvanting peptide vaccines targeting TLR7/8.

  19. Signal transducer and activator of transcription-3 licenses Toll-like receptor 4-dependent interleukin (IL)-6 and IL-8 production via IL-6 receptor-positive feedback in endometrial cells

    PubMed Central

    Cronin, J G; Kanamarlapudi, V; Thornton, C A; Sheldon, I M

    2016-01-01

    Interleukin 6 (IL-6), acting via the IL-6 receptor (IL6R) and signal transducer and activator of transcription-3 (STAT3), limits neutrophil recruitment once bacterial infections are resolved. Bovine endometritis is an exemplar mucosal disease, characterized by sustained neutrophil infiltration and elevated IL-6 and IL-8, a neutrophil chemoattractant, following postpartum Gram-negative bacterial infection. The present study examined the impact of the IL6R/STAT3 signaling pathway on IL-8 production by primary endometrial cells in response to short- or long-term exposure to lipopolysaccharide (LPS) from Gram-negative bacteria. Tyrosine phosphorylation of STAT3 is required for DNA binding and expression of specific targets genes. Immunoblotting indicated constitutive tyrosine phosphorylation of STAT3 in endometrial cells was impeded by acute exposure to LPS. After 24 h exposure to LPS, STAT3 returned to a tyrosine phosphorylated state, indicating cross-talk between the Toll-like receptor 4 (TLR4) and the IL6R/STAT3 signaling pathways. This was confirmed by short interfering RNA targeting the IL6R, which abrogated the accumulation of IL-6 and IL-8, induced by LPS. Furthermore, there was a differential endometrial cell response, as the accumulation of IL-6 and IL-8 was dependent on STAT3, suppressor of cytokine signaling 3, and Src kinase signaling in stromal cells, but not epithelial cells. In conclusion, positive feedback through the IL6R amplifies LPS-induced IL-6 and IL-8 production in the endometrium. These findings provide a mechanistic insight into how elevated IL-6 concentrations in the postpartum endometrium during bacterial infection leads to marked and sustained neutrophil infiltration. PMID:26813342

  20. Development of normal phase-high performance liquid chromatography-atmospherical pressure chemical ionization-mass spectrometry method for the study of 6,6'-bis-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-benzo[1,2,4]-triazin-3-yl)-[2,2']-bipyridine hydrolytic degradation.

    PubMed

    Nicolas, Grégory; Jankowski, Christopher K; Lucas-Lamouroux, Christine; Bresson, Carole

    2011-09-16

    In the field of nuclear waste management, the 6,6'-bis-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-benzo[1,2,4]-triazin-3-yl)-[2,2']-bipyridine (CyMe(4)BTBP) is a polycyclic N-based molecule eligible to remove actinides from spent nuclear fuel by liquid-liquid extraction processes. In such processes, the organic phase containing the extracting molecules will undergo hydrolysis and radiolysis, involving degradation products. The purpose of this work was to develop a normal phase chromatography (NP-HPLC) coupled to atmospherical pressure chemical ionisation-mass spectrometry (APCI-MS) method to separate and identify degradation products of CyMe(4)BTBP dissolved in octanol, submitted to HNO(3) hydrolysis. 1 mol L(-1) HNO(3) hydrolysis conditions were used regarding the selective actinides extraction (SANEX) process, while 3 mol L(-1) HNO(3) conditions were applied for the group actinide extraction (GANEX) process. The first step consisted in optimizing the chromatographic separation conditions using a diode array detection (DAD). Retention behavior of a non hydrolyzed mixture of N,N'-dimethyl-N,N'-dioctyl-hexyloxyethyl-malonamide (DMDOHEMA), a malonamide used in the SANEX process to increase the kinetic of extraction, and CyMe(4)BTBP were investigated on diol-, cyano-, and amino-bonded stationary phases using different mobile phase compositions. These latter were hexane with different polar modifiers, i.e. dioxane, isopropanol, ethanol and methylene chloride/methanol. The different retention processes in NP-HPLC were highlighted when using various stationary and mobile phases. The second step was the setting-up of the NP-HPLC-APCI-MS coupling and the use of the low-energy collision dissociation tandem mass spectrometry (CID-MS/MS) of the precursor protonated molecules that allowed the separation and the characterization of the main hydrolytic CyMe(4)BTBP degradation product under a 3 mol L(-1) HNO(3) concentration. Investigation of the CID-MS/MS fragmentation pattern was

  1. A new naturally-occurring nanoporous copper sheet–silicate with 6{sup 4}8{sup 2} cages related to synthetic “CuSH” phases

    SciTech Connect

    Welch, Mark D. Rumsey, Michael S.

    2013-07-01

    The structure of a new naturally-occurring nanoporous copper silicate of formula Na{sub 2}CaCu{sub 2}Si{sub 8}O{sub 20}·H{sub 2}O (disodium calcium dicopper octasilicate monohydrate) is reported and its relations to synthetic nanoporous “CuSH” compounds are discussed. The new phase is monoclinic C2/m with unit cell parameters a=12.2439(6) Å, b=15.7514(4) Å, c=10.6008(3) Å, β=125.623(2)°, and V=1661.87(10) Å{sup 3} (Z=4). The structure has been refined to R{sub 1}(all)=0.033, wR{sub 2}(all)=0.071, and GoF=1.090. In the double-sheet of SiO{sub 4} tetrahedra, 6{sup 4}8{sup 2} cages connect to form a chequer-board motif within which Na atoms and H{sub 2}O groups occupy channels. Each cage is occupied by 7-coordinated Na atom lying in a mirror plane. An intra-sheet corridor between the 6{sup 4}8{sup 2} cages is occupied by Na in 8-fold cuboidal coordination. The silicate skeleton is highly porous, with obvious channels and pathways for ion migration. The interlayer between double-sheets is occupied by CaO{sub 8}, CuO{sub 5} and NaO{sub 5}(H{sub 2}O) polyhedra. CuO{sub 5} polyhedra occur as rows of edge-sharing Cu{sub 2}O{sub 9} pairs connected by NaO{sub 5}(H{sub 2}O) octahedra and CaO{sub 8} square antiprisms. Both CuO{sub 5} and NaO{sub 5}(H{sub 2}O) polyhedra are features shared with closely-related synthetic “CuSH” phases of interest to the solid-state chemistry community as potential nanoporous catalysts. However, Na{sub 2}CaCu{sub 2}Si{sub 8}O{sub 20}·H{sub 2}O is the only natural representative of this group of structures, and the only one to contain essential Ca. The discovery of Na{sub 2}CaCu{sub 2}Si{sub 8}O{sub 20}·H{sub 2}O points to a new group of CuSH-type phases containing alkaline-earth elements. Its close natural association and structural affinity with wesselsite SrCuSi{sub 4}O{sub 10} suggest the possibility of transformation between CuSH and gillespite-type phases, and thereby a route to synthesising alkaline-earth CuSH derivatives

  2. Evidence for a High-Pressure Phase Transition of ε-2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20) Using Vibrational Spectroscopy

    SciTech Connect

    Ciezak, J.; Jenkins, T; Liu, Z

    2007-01-01

    The high-pressure response of {epsilon}-2,4,6,8,10,12-hexanitrohexaazaisowurtizane (CL-20) has been examined to 27 GPa in diamond anvil cells using vibrational spectroscopy. The results reveal evidence of an {epsilon}{yields}{Upsilon} pressure-induced phase transition between 4.1 and 6.4 GPa and suggest the existence of a {Upsilon}{yields}{zeta} transition near 18.7 GPa. Several Raman and infrared frequencies were found to decrease in intensity as the phase boundaries are approached. An anomalous intensity increase was noted in the C-N-C infrared mode that is believed to result from an increase in the Raman cross-section due to a stronger interlayer coupling under pressure.

  3. SU(6) superset of SU(3) x SU(2) and SU(8) superset of SU(4) x SU(2) Clebsch-Gordan coefficients

    SciTech Connect

    Garcia-Recio, C.; Salcedo, L. L.

    2011-04-15

    Tables of scalar factors are presented for 63 x 63 and 120 x 63 in SU(8) superset of SU(4) x SU(2), and for 35 x 35 and 56 x 35 in SU(6) superset of SU(3) x SU(2). Related tables for SU(4) superset of SU(3) x U(1) and SU(3) superset of SU(2) x U(1) are also provided so that the Clebsch-Gordan coefficients can be completely reconstructed. These are suitable to study meson-meson and baryon-meson interactions within a spin-flavor symmetric scheme.

  4. DNA damage induced by 4,6,8,9-tetramethyl-2H-furo[2,3-h]quinolin-2-one, a new furocoumarin analog: photochemical mechanisms.

    PubMed

    Bordin, F; Baccichetti, F; Marzano, C; Carlassare, F; Miolo, G; Chilin, A; Guiotto, A

    2000-03-01

    Some photochemical and photobiological properties of 4,6,8,9-tetramethyl-2H-furo[2,3-h]quinolin-2-one (HFQ) were studied in comparison with its isomer 1,4,6,8-tetramethyl-2H-furo[2,3-h]quinolin-2-one (FQ) and 8-methoxypsoralen (8-MOP). The HFQ photobinds to DNA forming furan-side monoadducts (MAHFQ) that have molecular structure very similar to those of FQ (MAFQ). Unlike MA8-MOP and MAFQ, MAHFQ no longer photoreact. The HFQ, like FQ, produces moderate amounts of singlet oxygen but no superoxide anions. The HFQ and FQ induce numbers of DNA-protein cross-links (DPC), much more plentiful than those of 8-MOP (about two and seven times, respectively) but no interstrand cross-links. The mechanism of DPC formation was studied in vivo in mammalian cells by alkaline elution and in vitro using a new test mixing histones and DNA from calf thymus. The latter is a very useful technique for the double irradiation protocol. The DNA (or histones) are separately exposed to a first UVA dose in the presence of the sensitizer; then, after its unbound molecules have been removed, histones (or DNA) are added to assemble the chromatin-like complex that is irradiated again. According to in vitro and in vivo methods, DPC appear to be formed by FQ and 8-MOP by a biphotonic process that starts with monoadduct induction in DNA, followed by their conversion into DPC. In the resulting lesions, the sensitizer molecule forms a covalent bridge between the two macromolecules (DPC at length greater than zero). Instead, HFQ induces DPC by a monophotonic process; thus, HFQ is probably not a physical part of the bridge between DNA and proteins, which may be linked together directly, like DPC at zero length induced by UVC.

  5. DNA damage induced by 4,6,8,9-tetramethyl-2H-furo[2,3-h]quinolin-2-one, a new furocoumarin analog: biological consequences.

    PubMed

    Marzano, C; Baccichetti, F; Carlassare, F; Chilin, A; Lora, S; Bordin, F

    2000-03-01

    4,6,8,9-Tetramethyl-2H-furo[2,3-h]quinolin-2-one (HFQ) and its isomer FQ (1,4,6,8-tetramethyl-2H-furo[2,3-h]quinolin-2-one) showed very strong antiproliferative activity in mammalian cells, about two times greater than 8-methoxypsoralen (8-MOP). Both compounds induced DNA-protein cross-links (DPC) but not interstrand cross-links. The FQ generated DPC in a biphotonic process, yielding a new kind of diadduct, whereas HFQ induced DPC by a monophotonic one, probably without its physical participation in the covalent bridge. These lesions gave different toxic responses. Sensitization of FQ led to extensive DNA fragmentation and to a number of chromosomal aberrations. Conversely, HFQ seemed to be completely inactive and 8-MOP gave intermediate results. A strict relationship between DPC formation and induction of chromosomal aberrations was observed. The HFQ did not induce light skin erythemas, whereas FQ was more phototoxic than 8-MOP, thus suggesting that FQ lesions, DPC in particular, may be implicated in skin phototoxicity. Ehrlich ascites cells, a transplantable mouse tumor, inactivated by furoquinolinone sensitization and injected into healthy mice, protected them from a successive challenge by viable tumor cells. This response appeared to be based on an immune mechanism. Comparable amounts of base substitution revertants were scored when testing furoquinolinones and 8-MOP in bacteria but no DPC were detected. This suggests that classic mutagenesis tests on bacteria are insufficient to give adequate information on furocoumarin genotoxicity. Given its features, HFQ can be regarded as an interesting new agent for psoralen plus UVA photochemotherapy and photopheresis.

  6. SUPERSTARS III: 6-8.

    ERIC Educational Resources Information Center

    North Carolina State Dept. of Public Education, Raleigh.

    SUPERSTARS III is a K-8 program designed as an enrichment opportunity for self-directed learners in mathematics. The basic purpose of SUPERSTARS III is to provide the extra challenge that self-motivated students need in mathematics and to do so in a structured, long-term program that does not impinge on the normal classroom routine or the…

  7. Performance of a small, graphite electrode, multistage depressed collector with a 500-W, continuous wave, 4.8- to 9.6-GHz traveling wave tube

    NASA Technical Reports Server (NTRS)

    Ramins, Peter; Lesny, Gary G.; Ebihara, Ben T.; Peet, Shelly

    1988-01-01

    A small, isotropic graphite multistage depressed collector (MDC) and a short permanent magnet refocuser were designed, fabricated, and evaluated in conjunction with a 500-W, continuous-wave (CW), 4.8 to 9.6 GHz traveling wave tube (TWT). A novel performance optimization system and technique were used to optimize the TWT-MDC performance for saturated broad-band operation. The MDC performance was evaluated in both four- and three-stage configurations. Average TWT overall and four-stage collector efficiencies of 43.8 and 82.6 percent, respectively, were obtained for saturated octave-bandwidth operation. The isotropic graphite electrode material performed well, and shows considerable promise. However, considerably more test experience is required before definitive conclusions on its suitability for space and airborne TWT's can be made.

  8. The fluorescence properties of the phenylated fullerenes C 70Ph 4, C 70Ph 6, C 70Ph 8, and C 70Ph 10 in room temperature solutions

    NASA Astrophysics Data System (ADS)

    Schwell, Martin; Gustavsson, Thomas; Marguet, Sylvie; Vaissière, Benoı̂t de La; Wachter, Norbert K.; Birkett, Paul R.; Mialocq, Jean-Claude; Leach, Sydney

    2001-12-01

    The emission and excitation spectra of four phenylated [70] fullerenes, C 70Ph 4, C 70Ph 6, C 70Ph 8, and C 70Ph 10 in cyclohexane and toluene solutions have been measured. The fluorescence spectra and related excited state properties are found to depend strongly on the number of attached phenyl groups, but with no systematic trends. Quantum yields and fluorescence lifetimes were measured for C 70Ph 6, C 70Ph 8, and C 70Ph 10, allowing the determination of S1 → S0 radiative transition rates kR. It is found that kR for C 70Ph 10 is about six times larger than for the other compounds. This is consistent with measured absorbtivities for these compounds. The particular character of C 70Ph 10 is also manifested by its higher intersystem crossing rate kISC.

  9. Abstraction and addition kinetics of C2H radicals with CH4, C2H6, C3H8, C2H4, and C3H6: CVT/SCT/ISPE and hybrid meta-DFT methods.

    PubMed

    Dash, Manas Ranjan; Rajakumar, B

    2015-02-07

    Rate coefficients for the reactions of C2H radicals with methane (k1), ethane (k2), propane (k3), ethylene (k4), and propylene (k5) were computed using canonical variational transition state theory (CVT) coupled with hybrid-meta density functional theory (DFT) over a wide range of temperatures from 150 to 5000 K. The quantum chemical tunneling effect was corrected by the small curvature tunneling (SCT) method. The dynamic calculations are performed using the variational transition state theory (VTST) with the interpolated single-point energies (ISPE) method at the CCSD(T)/cc-pVTZ//M06-2X/6-31+G(d,p) level of theory. Intrinsic reaction coordinate (IRC) calculations were performed to verify that the transition states are connected to the reactants and products. The rate coefficients obtained over the studied temperature range yield the following Arrhenius expressions (cm(3) molecule(-1) s(-1)): k1 = 4.69 × 10(-19)T(2.44) exp[331/T], k2 = 4.29 × 10(-17)T(2.11) exp[432/T], k3 = 4.81 × 10(-17)T(1.98) exp[697/T], k4 = 7.54 × 10(-21)T(2.96) exp[1942/T], and k5 = 8.04 × 10(-23)T(3.44) exp[3011/T] cm(3) molecule(-1) s(-1). Branching ratio calculation for the reactions of C2H radicals with ethylene and propylene shows that the abstraction reactions are not important at lower temperatures. However, as the temperature increases, abstraction reactions become more important.

  10. Spectroscopic characterization of the isolated SF6- and C4F8- anions: observation of very long harmonic progressions in symmetric deformation modes upon photodetachment.

    PubMed

    Bopp, Joseph C; Roscioli, Joseph R; Johnson, Mark A; Miller, Thomas M; Viggiano, A A; Villano, Stephanie M; Wren, Scott W; Lineberger, W Carl

    2007-02-22

    Spectroscopic studies of the SF6- and c-C4F8- anions are reported to provide experimental benchmarks for theoretical predictions of their structures and electron binding energies. The photoelectron spectrum of SF6- is dominated by a long progression in the S-F stretching mode, with an envelope consistent with theoretical predictions that the anion preserves the Oh symmetry of the neutral, but has a longer S-F bond length. This main progression occurs with an unexpectedly strong contribution from a second mode, however, whose characteristic energy does not correspond to any of the neutral SF6 fundamental vibrations in its ground electronic state. The resulting doublet pattern is evident when the bare ion is prepared with low internal energy content (i.e., using N2 carrier gas in a free jet or liquid nitrogen-cooling in a flowing afterglow) but is much better resolved in the spectrum of the SF6-.Ar complex. The infrared predissociation spectrum of SF6-.Ar consists of a strong band at 683(5) cm(-1), which we assign to the nu3 (t1u) fundamental, the same mode that yields the strong 948 cm(-1) infrared transition in neutral SF6. One qualitatively interesting aspect of the SF6- behavior is the simple structure of its photoelectron spectrum, which displays uncluttered, harmonic bands in an energy region where the neutral molecule contains about 2 eV of vibrational excitation. We explore this effect further in the c-C4F8- anion, which also presents a system that is calculated to undergo large, symmetrical distortion upon electron attachment to the neutral. The photoelectron spectrum of this species is dominated by a long, single vibrational progression, this time involving the symmetric ring-breathing mode. Like the SF6- case, the c-C4F8- spectrum is remarkably isolated and harmonic in spite of the significant internal excitation of a relatively complex molecular framework. Both these perfluorinated anions thus share the property that the symmetrical deformation of the

  11. Neolignans with a Rare 2-Oxaspiro[4.5]deca-6,9-dien-8-one Motif from the Stem Bark of Cinnamomum subavenium.

    PubMed

    Lai, Yongji; Liu, Tingting; Sa, Rongjian; Wei, Xialan; Xue, Yongbo; Wu, Zhaodi; Luo, Zengwei; Xiang, Ming; Zhang, Yonghui; Yao, Guangmin

    2015-07-24

    Two pairs of racemic spirodienone neolignans with a rare 2-oxaspiro[4.5]deca-6,9-dien-8-one motif, named (±)-subaveniumins A (1) and B (2), were isolated from the bark of Cinnamomum subavenium. The chiral separation of the (+)-1, (-)-1, (+)-2, and (-)-2 enantiomers was accomplished via high-performance liquid chromatography on a chiral column. Their structures were elucidated using single-crystal X-ray diffraction and spectroscopic analyses (UV, IR, HRESIMS, and 1D and 2D NMR). The absolute configurations of the enantiomers were determined by comparing the experimental and calculated electronic circular dichroic spectra. The (+)-1, (-)-1, (+)-2, and (-)-2 enantiomers exhibited moderate inhibitory effects against NO production in RAW264.7 mouse macrophages induced by lipopolysaccharide, with IC50 values of 17.9, 5.6, 15.1, and 4.3 μM, respectively.

  12. Synthesis and acetylcholinesterase/butyrylcholinesterase inhibition activity of 4-amino-2, 3-diaryl-5, 6, 7, 8-tetrahydrofuro(and thieno)[2, 3-b]-quinolines, and 4-amino-5, 6, 7, 8, 9-pentahydro-2, 3-diphenylcyclohepta[e]furo(and thieno)-[2, 3-b]pyridines.

    PubMed

    Marco, José L; De Los Ríos, Cristóbal; Carreiras, María C; Baños, Josep E; Badia, Albert; Vivas, Nuria M

    2002-07-01

    The acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibition activities of a series of 4-amino-2, 3-diaryl-5, 6, 7, 8-tetrahydrofuro[2, 3-b]quinolines (10-12)/4-amino-5, 6, 7, 8-tetrahydro-2, 3-diphenylthieno[2, 3-b]quinoline (14) and 4-amino-5, 6, 7, 8, 9-pentahydro-2, 3-diphenylcyclohepta[e]furo[2, 3-b]pyridine (13)/4-amino-5, 6, 7, 8, 9-pentahydro-2, 3-phenylcyclohepta[e]thieno[2, 3-b]pyridine (15) are described. These compounds are tacrine (THA) analogues which have been prepared either from readily available 2-amino-3-cyano-4, 5-diarylfurans (16-18) or from 2-amino-3-cyano-4, 5-diphenylthiophene (19), via Friedländer condensation with cyclohexanone or cycloheptanone. These compounds are competitive inhibitors for acetylcholinesterase, the more potent being compound (13) which is three-fold less active than tacrine. The butyrylcholinesterase inhibition activity is significant only in compounds 10 and133, which are ten-fold less active than tacrine. It is found that the products 11 and 12 strongly inhibit acetylcholinesterase, and show excellent selectivity regarding butyrylcholinesterase.

  13. Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K

    NASA Astrophysics Data System (ADS)

    Liu, Xianyu; Kanzaki, Masami; Xue, Xianyu

    2013-06-01

    We report the crystal structures determined under ambient condition for two Zn2SiO4 polymorphs synthesized at 6.5 GPa and 1,273 K (phase III) and 8 GPa and 1,273 K (phase IV) and also compare their 29Si MAS NMR spectroscopic characteristics with those of other Zn2SiO4 polymorphs (phases I, II and V). Electron microprobe analysis revealed that both of phases III and IV are stoichiometric like the lower-pressure polymorphs (phases I and II), contrary to previous report. The crystal structures were solved using an ab initio structure determination technique from synchrotron powder X-ray diffraction data utilizing local structural information from 29Si MAS NMR as constraints and were further refined with the Rietveld technique. Phase III is orthorhombic ( Pnma) with a = 10.2897(5), b = 6.6711(3), c = 5.0691(2) Å. It is isostructural with the high-temperature (Zn1.1Li0.6Si0.3)SiO4 phase and may be regarded as a `tetrahedral olivine' type that resembles the `octahedral olivine' structure in the (approximately hexagonally close packed) oxygen arrangement and tetrahedral Si positions, but has Zn in tetrahedral, rather than octahedral coordination. Phase IV is orthorhombic ( Pbca) with a = 10.9179(4), b = 9.6728(4), c = 6.1184(2) Å. It also consists of tetrahedrally coordinated Zn and Si and features unique edge-shared Zn2O6 dimers. The volumes per formula under ambient condition for phases III and IV are both somewhat larger than that of the lower-pressure polymorph, phase II, suggesting that the two phases may have undergone structural changes during temperature quench and/or pressure release.

  14. Theoretical study of the structures and first hyperpolarizabilities of C60Cl n and Li@C60Cl n (n = 4, 6, 8, 10).

    PubMed

    Song, Yao-Dong; Wang, Liang; Wu, Li-Ming

    2016-06-01

    We recently reported (Song Y-D et al., 2016, J Mol Model 22:50) that doping with Li greatly affects the static first hyperpolarizability of C60Cl2. In this work, with a view to creating nonlinear optical materials with high thermodynamic stability and wide transparent regions, a series of Li@C60Cl n (n = 4, 6, 8, 10) were designed. The structures, electrostatic potentials, electronic structures, absorption spectra, and linear and nonlinear optical properties of C60Cl n and Li@C60Cl n were systematically investigated using density functional theory (DFT) methods. The results of our calculations indicated that the stability of these molecules decreases in the order Li@C60Cl10 > Li@C60Cl8 > Li@C60Cl6 > Li@C60Cl4. It is clear that the number of Cl atoms greatly influences the stability of Li@C60Cl n . Li@C60Cl n showed greater thermodynamic stability than Li@C60Cl2. We also investigated the first hyperpolarizabilities of Li@C60Cl n and found them to be 2973, 3640, 4307, and 2627 au for n = 4, 6, 8, and 10, respectively-higher than that of Li@C60Cl2. Finally, we noted that the transparent region could be modulated by increasing the number of Cl atoms: Li@C60Cl n possess wider transparent regions than that of Li@C60Cl2. We therefore believe that this study has highlighted an effective method for designing nonlinear optical materials with high thermodynamic stability and wide transparent regions.

  15. Assembly of 4-, 6- and 8-connected Cd(II) pseudo-polymorphic coordination polymers: Synthesis, solvent-dependent structural variation and properties

    SciTech Connect

    Li, Zhao-Hao; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun

    2016-08-15

    The reaction of Cd(NO{sub 3}){sub 2}·4H{sub 2}O, 2,5-thiophenedicarboxylic acid (H{sub 2}tdc) and 1,2-bis(imidazol-1′-yl)methane (bimm) by modulating solvent systems yielded three highly connected pseudo-polymorphic coordination polymers based on different dinuclear [Cd{sub 2}(CO{sub 2}){sub 2}] subunits bridged by carboxylate groups. Single crystal structural analyses reveal structural variation from 4-connected 2D sql layer, 6-connected 2-fold interpenetrated 3D pcu to 8-connected 3D bcu-type network in compounds 1–3. The structural dissimilarity in the structures dependent on the coordination environments of Cd(II) ions and linking modes of mixed ligand influenced by different solvent systems during the synthesis process. Moreover, thermogravimetric and photoluminescence behaviors of 1–3 were also investigated for the first time, and all the complexes emit blue luminescence in the solid state. - Graphical abstract: Key Topic. Different solvent systems modulated three Cd(II) pseudo-polymorphic coordination polymers based on thiophene-2,5-dicarboxylate and 1,2-bis(imidazol-1′-yl)methane mixed ligands. Display Omitted - Highlights: • Three solvent-dependent Cd(II) pseudo-polymorphic coordination polymers have been synthesized. • Structural variation from 4-connected 2D layer, 6-connected 2-fold interpenetrated 3D net to 8-connected 3D net. • All complexes emit blue luminescence.

  16. Volumetric Properties of the Mixture Ethyl ethanoate C4H8O2 + C6H14O2 3-Oxaheptan-1-ol (VMSD1412, LB4314_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethyl ethanoate C4H8O2 + C6H14O2 3-Oxaheptan-1-ol (VMSD1412, LB4314_V)' providing data by calculation of isentropic compressibility from low-pressure density and thermodynamic speed of sound data at variable mole fraction and constant temperature, in the single-phase region(s).

  17. Volumetric Properties of the Mixture 1,3-Dioxane C4H8O2 + C6H12 Cyclohexane (VMSD1511, LB5121_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture 1,3-Dioxane C4H8O2 + C6H12 Cyclohexane (VMSD1511, LB5121_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  18. Volumetric Properties of the Mixture Oxolan-2-one C4H6O2 + C8H18O Octan-1-ol (VMSD1511, LB4907_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Oxolan-2-one C4H6O2 + C8H18O Octan-1-ol (VMSD1511, LB4907_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  19. Volumetric Properties of the Mixture Ethyl ethanoate C4H8O2 + C6H14O2 3-Oxaheptan-1-ol (VMSD1511, LB4137_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethyl ethanoate C4H8O2 + C6H14O2 3-Oxaheptan-1-ol (VMSD1511, LB4137_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  20. Volumetric Properties of the Mixture Oxolane C4H8O + C6H10O Cyclohexanone (VMSD1212, LB3919_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Oxolane C4H8O + C6H10O Cyclohexanone (VMSD1212, LB3919_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  1. Volumetric Properties of the Mixture Oxolane C4H8O + C6H10O Cyclohexanone (VMSD1111, LB3912_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Oxolane C4H8O + C6H10O Cyclohexanone (VMSD1111, LB3912_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  2. Volumetric Properties of the Mixture Cyclohexanone C6H10O + C8H10 1,4-Dimethylbenzene (VMSD1111, LB4821_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Cyclohexanone C6H10O + C8H10 1,4-Dimethylbenzene (VMSD1111, LB4821_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  3. Volumetric Properties of the Mixture Cyclohexanone C6H10O + C8H10 1,4-Dimethylbenzene (VMSD1212, LB4825_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Cyclohexanone C6H10O + C8H10 1,4-Dimethylbenzene (VMSD1212, LB4825_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  4. Volumetric Properties of the Mixture Cyclohexanone C6H10O + C8H10 1,4-Dimethylbenzene (VMSD1511, LB4830_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Cyclohexanone C6H10O + C8H10 1,4-Dimethylbenzene (VMSD1511, LB4830_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  5. Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 8. High affinity ligands for opioid receptors in the picomolar Ki range: oxygenated N-(2-[1,1'-biphenyl]-4-ylethyl) analogues of 8-CAC.

    PubMed

    Wentland, Mark P; Jo, Sunjin; Gargano, Joseph M; VanAlstine, Melissa A; Cohen, Dana J; Bidlack, Jean M

    2012-12-15

    N-[2-(4'-methoxy[1,1'-biphenyl]-4-yl)ethyl]-8-CAC (1) is a high affinity (K(i)=0.084 nM) ligand for the μ opioid receptor and served as the lead compound for this study. Analogues of 1 were made in hopes of identifying an SAR within a series of oxygenated (distal) phenyl derivatives. A number of new analogues were made having single-digit pM affinity for the μ receptor. The most potent was the 3',4'-methylenedioxy analogue 18 (K(i)=1.6 pM).

  6. Both CD8+ and CD4+ T Cells Contribute to Corneal Clouding and Viral Clearance following Vaccinia Virus Infection in C57BL/6 Mice

    PubMed Central

    Larsen, I. V.; Clausius, H.; Kolb, A. W.

    2016-01-01

    ABSTRACT Vaccinia virus (VACV) keratitis is a serious complication following smallpox vaccination and can lead to blindness. The pathological mechanisms involved in ocular VACV infection are poorly understood. Previous studies have used rabbits, but the lack of immune reagents and transgenic or knockout animals makes them less suitable for mechanistic studies. We report that infection of C57BL/6 mice with 1 × 107 PFU of vaccinia virus strain WR results in blepharitis, corneal neovascularization, and stromal keratitis. The DryVax strain of VACV was completely attenuated. Infection required corneal scarification and replication-competent virus, and the severity of ocular disease was similar in 4- to 6-week-old and 1-year-old mice. Viral titers peaked at approximately 1 × 106 PFU on day 5 postinfection, and virus had not cleared by day 13 postinfection. Neutrophils were found in the peripheral cornea on day 1 after infection and then declined, followed by infiltration of both CD4+ and CD8+ T cells, which remained peripheral throughout the infection. Blood vessel growth extended 2 to 5 mm into the cornea from the limbus. Infection of CD4−/−, CD8−/−, or antibody-depleted mice resulted in similar disease severity and corneal clouding, indicating that both T-cell subsets were involved in the immunopathological response. Depletion of both CD4+ and CD8+ T cells resulted in significantly more severe disease and failure to clear the virus. On the basis of our results, the pathology of VACV keratitis is significantly different from that of herpes simplex virus keratitis. Further studies are likely to reveal novel information regarding virulence and immune responses to viral ocular infection. IMPORTANCE Potentially blinding eye infections can occur after vaccination for smallpox. Very little is known about the pathological mechanisms that are involved, and the information that is available was generated using rabbit models. The lack of immunological reagents for

  7. 24 CFR 8.6 - Communications.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 24 Housing and Urban Development 1 2012-04-01 2012-04-01 false Communications. 8.6 Section 8.6... URBAN DEVELOPMENT General Provisions § 8.6 Communications. (a) The recipient shall take appropriate steps to ensure effective communication with applicants, beneficiaries, and members of the public....

  8. 24 CFR 8.6 - Communications.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Communications. 8.6 Section 8.6... URBAN DEVELOPMENT General Provisions § 8.6 Communications. (a) The recipient shall take appropriate steps to ensure effective communication with applicants, beneficiaries, and members of the public....

  9. 22 CFR 8.6 - Membership.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Membership. 8.6 Section 8.6 Foreign Relations DEPARTMENT OF STATE GENERAL ADVISORY COMMITTEE MANAGEMENT § 8.6 Membership. (a) The act requires a balanced membership in terms of the points of view represented. Members are selected for their expertise in...

  10. 22 CFR 8.6 - Membership.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Membership. 8.6 Section 8.6 Foreign Relations DEPARTMENT OF STATE GENERAL ADVISORY COMMITTEE MANAGEMENT § 8.6 Membership. (a) The act requires a balanced membership in terms of the points of view represented. Members are selected for their expertise in...

  11. 43 CFR 8.6 - Buildings.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 43 Public Lands: Interior 1 2010-10-01 2010-10-01 false Buildings. 8.6 Section 8.6 Public Lands: Interior Office of the Secretary of the Interior JOINT POLICIES OF THE DEPARTMENTS OF THE INTERIOR AND OF THE ARMY RELATIVE TO RESERVOIR PROJECT LANDS § 8.6 Buildings. Buildings for human occupancy as well...

  12. 43 CFR 8.6 - Buildings.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 1 2011-10-01 2011-10-01 false Buildings. 8.6 Section 8.6 Public Lands: Interior Office of the Secretary of the Interior JOINT POLICIES OF THE DEPARTMENTS OF THE INTERIOR AND OF THE ARMY RELATIVE TO RESERVOIR PROJECT LANDS § 8.6 Buildings. Buildings for human occupancy as well...

  13. 24 CFR 8.6 - Communications.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 24 Housing and Urban Development 1 2011-04-01 2011-04-01 false Communications. 8.6 Section 8.6... URBAN DEVELOPMENT General Provisions § 8.6 Communications. (a) The recipient shall take appropriate steps to ensure effective communication with applicants, beneficiaries, and members of the public....

  14. The g-tensor of the flavin cofactor in (6-4) photolyase: a 360 GHz/12.8 T electron paramagnetic resonance study

    NASA Astrophysics Data System (ADS)

    Schnegg, A.; Kay, C. W. M.; Schleicher, E.; Hitomi, K.; Todo, T.; Möbius, K.; Weber, S.

    2006-05-01

    The g-tensor of the neutral radical form of the flavin adenine dinucleotide cofactor FADH• of (6-4) photolyase from Xenopus laevis has been determined by very high-magnetic-field/high-microwave-frequency electron-paramagnetic resonance (EPR) performed at 360 GHz/12.8 T. Due to the high spectral resolution the anisotropy of the g-tensor could be fully resolved in the frozen-solution continuous-wave EPR spectrum. By least square fittings of spectral simulations to experimental data, the principal values of the g-tensor have been established: gX = 2.00433(5), gY = 2.00368(5), gZ = 2.00218(7). A comparison of very high-field EPR data and proton and deuteron electron-nuclear double resonance measurements yielded precise information concerning the orientation of the g-tensor with respect to the molecular frame. This data allowed a comparison to be made between the principal values of the g-tensors of the FADH• cofactors of photolyases involved in the repair of two different DNA lesions: the cyclobutane pyrimidine dimer (CPD) and the (6-4) photoproduct. It was found that gX and gZ are similar in both enzymes, whereas the gY component is slightly larger in (6-4) photolyase. This result clearly shows the sensitivity of the g-tensor to subtle differences in the protein environment experienced by the flavin.

  15. Optimized anisotropic magnetoelectric response of Fe61.6Co16.4Si10.8B11.2/PVDF/Fe61.6Co16.4Si10.8B11.2 laminates for AC/DC magnetic field sensing

    NASA Astrophysics Data System (ADS)

    Reis, S.; Silva, M. P.; Castro, N.; Correia, V.; Gutierrez, J.; Lasheras, A.; Lanceros-Mendez, S.; Martins, P.

    2016-05-01

    The anisotropic magnetoelectric (ME) effect on a Fe61.6Co16.4Si10.8B11.2/PVDF Fe61.6Co16.4Si10.8B11.2 laminate composite has been used for the development of a magnetic field sensor able to detect both the magnitude and direction of AC and DC magnetic fields. The accuracy (99% for both AC and DC sensors), linearity (92% for the DC sensor and 99% for the AC sensor) and reproducibility (99% for both sensors) indicate the suitability of the sensor for applications. Furthermore, the sensitivity of the Fe61.6Co16.4Si10.8B11.2/PVDF/Fe61.6Co16.4Si10.8B11.2 anisotropic magnetic sensor—15 and 1400 mV Oe-1 for the DC and AC fields, respectively—are the highest reported in the literature for polymer-based ME materials. Such features, combined with its flexibility, versatility, light weight, low cost and low-temperature fabrication, lead to the suitability of the developed sensor for use in magnetic sensor applications.

  16. Synthesis and crystal structure of chlorate-enclathrated in aluminogermanate sodalite Na8[AlGeO4]6(ClO3)2

    NASA Astrophysics Data System (ADS)

    Borhade, Ashok V.; Dholi, Arun G.

    2013-04-01

    Encapsulation of chlorate in sodalite with aluminogermanate host framework has been obtained by one pot hydrothermal synthesis at 393 K. The crystal structure of Na8[AlGeO4]6(ClO3)2; sodalite was refined from X-ray powder data in the space group Pbar 43 n: a = 9.169 Å, where Al-O-Ge angle is 137.6°. The 27Al MAS NMR study confirmed alternate Ge and Al ordering of the sodalite framework, while 23Na gave insight into the structure and dynamics of the cage fillings. Infrared spectrum confirmed the encapsulation of chlorate as well as the framework formation of aluminogermanate sodalite. SEM study showed the retention of cubical morphology of the aluminogermanate sodalite. Thermogravimetric analysis provided information on the extent of chlorate entrapment, stability within the sodalite cages and decomposition properties.

  17. Formation of a highly stable complex between BN 50730 [tetrahydro-4,7,8,10 methyl-1(chloro-2 phenyl)-6 (methoxy-4 phenyl-carbamoyl)-9 pyrido [4',3'-4,5] thieno [3,2-f] triazolo-1,2,4 [4,3-a] diazepine-1,4] and the platelet-activating factor receptor in rabbit platelet membranes.

    PubMed

    Silva, C L; Cruz, H N; Violante, F A; Cordeiro, R S; Martins, M A; Noël, F

    1996-01-26

    BN 50730 [tetrahydro-4,7,8,10 methyl-1(chloro-2 phenyl)-6 (methoxy-4 phenyl-carbamoyl)-9 pyrido [4',3'-4,5] thieno [3,2-f] triazolo-1,2,4 [4,3-alpha] diazepine-1,4], a novel platelet-activating factor (PAF) receptor antagonist with a hetrazepine structure, decreased the maximal number of binding sites (Bmax) of [3H]PAF in rabbit platelet membranes without altering its dissociation constant. Platelet aggregation induced by 1 microM PAF was prevented by preincubation with 1 microM BN 50730. The washing of the platelets preincubated with BN 50730 failed to revert its inhibitory effects. We conclude that BN 50730 acts as a non-competitive antagonist of the PAF receptor, due to the formation of a highly stable drug-receptor complex.

  18. Low Power Resistive Oxygen Sensor Based on Sonochemical SrTi0.6Fe0.4O2.8 (STFO40)

    PubMed Central

    Stratulat, Alisa; Serban, Bogdan-Catalin; de Luca, Andrea; Avramescu, Viorel; Cobianu, Cornel; Brezeanu, Mihai; Buiu, Octavian; Diamandescu, Lucian; Feder, Marcel; Ali, Syed Zeeshan; Udrea, Florin

    2015-01-01

    The current paper reports on a sonochemical synthesis method for manufacturing nanostructured (typical grain size of 50 nm) SrTi0.6Fe0.4O2.8 (Sono-STFO40) powder. This powder is characterized using X ray-diffraction (XRD), Mössbauer spectroscopy and Scanning Electron Microscopy (SEM), and results are compared with commercially available SrTi0.4Fe0.6O2.8 (STFO60) powder. In order to manufacture resistive oxygen sensors, both Sono-STFO40 and STFO60 are deposited, by dip-pen nanolithography (DPN) method, on an SOI (Silicon-on-Insulator) micro-hotplate, employing a tungsten heater embedded within a dielectric membrane. Oxygen detection tests are performed in both dry (RH = 0%) and humid (RH = 60%) nitrogen atmosphere, varying oxygen concentrations between 1% and 16% (v/v), at a constant heater temperature of 650 °C. The oxygen sensor, based on the Sono-STFO40 sensing layer, shows good sensitivity, low power consumption (80 mW), and short response time (25 s). These performance are comparable to those exhibited by state-of-the-art O2 sensors based on STFO60, thus proving Sono-STFO40 to be a material suitable for oxygen detection in harsh environments. PMID:26205267

  19. Angular dependence of etch rates in the etching of poly-Si and fluorocarbon polymer using SF6, C4F8, and O2 plasmas

    NASA Astrophysics Data System (ADS)

    Min, Jae-Ho; Lee, Gyeo-Re; Lee, Jin-Kwan; Moon, Sang Heup; Kim, Chang-Koo

    2004-05-01

    The dependences of etch rates on the angle of ions incident on the substrate surface in four plasma/substrate systems that constitute the advanced Bosch process were investigated using a Faraday cage designed for the accurate control of the ion-incident angle. The four systems, established by combining discharge gases and substrates, were a SF6/poly-Si, a SF6/fluorocarbon polymer, an O2/fluorocarbon polymer, and a C4F8/Si. In the case of SF6/poly-Si, the normalized etch rates (NERs), defined as the etch rates normalized by the rate on the horizontal surface, were higher at all angles than values predicted from the cosine of the ion-incident angle. This characteristic curve shape was independent of changes in process variables including the source power and bias voltage. Contrary to the earlier case, the NERs for the O2/polymer decreased and eventually reached much lower values than the cosine values at angles between 30° and 70° when the source power was increased and the bias voltage was decreased. On the other hand, the NERs for the SF6/polymer showed a weak dependence on the process variables. In the case of C4F8/Si, which is used in the Bosch process for depositing a fluorocarbon layer on the substrate surface, the deposition rate varied with the ion incident angle, showing an S-shaped curve. These characteristic deposition rate curves, which were highly dependent on the process conditions, could be divided into four distinct regions: a Si sputtering region, an ion-suppressed polymer deposition region, an ion-enhanced polymer deposition region, and an ion-free polymer deposition region. Based on the earlier characteristic angular dependences of the etch (or deposition) rates in the individual systems, ideal process conditions for obtaining an anisotropic etch profile in the advanced Bosch process are proposed. .

  20. Systematic study of spin crossover and structure in [Co(terpyRX)2](Y)2 systems (terpyRX = 4'-alkoxy-2,2':6',2''-terpyridine, X = 4, 8, 12, Y = BF4(-), ClO4(-), PF6(-), BPh4(-)).

    PubMed

    Nielsen, Pia; Toftlund, Hans; Bond, Andrew D; Boas, John F; Pilbrow, John R; Hanson, Graeme R; Noble, Christopher; Riley, Mark J; Neville, Suzanne M; Moubaraki, Boujemaa; Murray, Keith S

    2009-08-03

    A family of spin crossover cobalt(II) complexes of the type [Co(terpyRX)(2)](Y)(2) x nH(2)O (X = 4, 8, 12 and Y = BF(4)(-), ClO(4)(-), PF(6)(-), BPh(4)(-)) has been synthesized, whereby the alkyl chain length, RX, and counteranion, Y, have been systematically varied. The structural (single crystal X-ray diffraction) and electronic (magnetic susceptibility, electron paramagnetic resonance (EPR)) properties have been investigated within this family of compounds. Single crystal X-ray diffraction analysis of [Co(terpyR8)(2)](ClO(4))(2), [Co(terpyR8)(2)](BF(4))(2) x H(2)O, and [Co(terpyR4)(2)](PF(6))(2) x 3 H(2)O, at 123 K, revealed compressed octahedral low spin Co(II) environments and showed varying extents of disorder in the alkyl tail portions of the terpyRX ligands. The magnetic and EPR studies were focused on the BF(4)(-) family and, for polycrystalline solid samples, revealed that the spin transition onset temperature (from low to high spin) decreased as the alkyl chain lengthened. EPR studies of polycrystalline powder samples confirmed these results, showing signals only due to the low spin state at the temperatures seen in magnetic measurements. Further to this, simultaneous simulation of the EPR spectra of frozen solutions of [Co(terpyR8)(2)](BF(4))(2) x H(2)O, recorded at S-, X-, and Q-band frequencies, allowed accurate determination of the g and A values of the low spin ground state. The temperature dependence of the polycrystalline powder EPR spectra of this and the R4 and R12 complexes is explained in terms of Jahn-Teller effects using the warped Mexican hat potential energy surface model perturbed by the low symmetry of the ligands. While well recognized in Cu(II) systems, this is one of the few times this approach has been used for Co(II).

  1. Synthesis and characterization of silver and cesium derivatives of Na8[GaSiO4]6(OH)2 sodalite

    NASA Astrophysics Data System (ADS)

    Borhade, A. V.; Wakchaure, S. G.

    2015-03-01

    Gallosilicate hydroxy sodalite, Na8[GaSiO4]6(OH)2 was synthesized at low temperature by hydrothermal method (373 K) and further the sodium ions were partially exchanged with silver and cesium. The obtained products were characterized by IR spectroscopy, X-ray powder diffraction, MAS NMR, TGA and SEM. Parent hydroxy sodalite and its silver and cesium derivatives show cubic symmetry with a space group 3 n. The crystal structures were refined by Rietveld method. The unit cell parameter, a = 8.8527 Å for parent hydroxy sodalite, 8.8342 Å for the silver derivative and 8.9367 Å for cesium one. The 29Si MAS NMR of parent hydroxy sodalite confirms the alternating Ga and Si ordering in sodalite framework, while 23Na MAS NMR shows the effect of cation substitution. The SEM pictures are very regular and show sharp growth for parent sodalite, while the crystal morphology remains nearly same for the silver and cesium derivatives.

  2. Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca(2+x)La(8-x)(SiO4)(6-x)(PO4)xO2:Eu(2+).

    PubMed

    Xia, Yufei; Chen, Jian; Liu, Yan-gai; Molokeev, Maxim S; Guan, Ming; Huang, Zhaohui; Fang, Minghao

    2016-01-21

    A series of apatite solid solution phosphors Ca(2+x)La(8-x)(SiO4)(6-x)(PO4)xO2:Eu(2+) (x = 0,2,4,6) were synthesized by a conventional high-temperature solid-state reaction. The phase purity was examined using XRD, XPS and XRF. The crystal structure information, such as the concentration, cell parameters and occupation rate, was analyzed using a Rietveld refinement, demonstrating that the Eu(2+) activated the Ca2La8(SiO4)6O2 and Ca8La2(PO4)6O2 to form continuous solid solution phosphors. Different behaviors of luminescence evolution in response to structural variation were verified among the series of phosphors. Two kinds of Eu(2+) ion sites were proved using low temperature PL spectra (8k) and room temperature decay curves. The substitution of large La(3+) ions by small Ca(2+) ions induced a decreased crystal field splitting of the Eu(2+) ions, which caused an increase in emission energy from the 5d excited state to the 4f ground state and a resultant blue-shift from 508 nm to 460 nm. Therefore, with the crystal structure evolution, the emitted color of the series of phosphors could be tuned from green to blue by adjusting the ratio of Ca/La.

  3. Dissolution of jarosite [KFe 3(SO 4) 2(OH) 6] at pH 2 and 8: Insights from batch experiments and computational modelling

    NASA Astrophysics Data System (ADS)

    Smith, Adrian M. L.; Hudson-Edwards, Karen A.; Dubbin, William E.; Wright, Kate

    2006-02-01

    Jarosite [KFe 3(SO 4) 2(OH) 6] is a mineral that is common in acidic, sulphate-rich environments, such as acid sulphate soils derived from pyrite-bearing sediments, weathering zones of sulphide ore deposits and acid mine or acid rock drainage (ARD/AMD) sites. The structure of jarosite is based on linear tetrahedral-octahedral-tetrahedral (T-O-T) sheets, made up from slightly distorted FeO 6 octahedra and SO 4 tetrahedra. Batch dissolution experiments carried out on synthetic jarosite at pH 2, to mimic environments affected by ARD/AMD, and at pH 8, to simulate ARD/AMD environments recently remediated with slaked lime (Ca(OH) 2), suggest first order dissolution kinetics. Both dissolution reactions are incongruent, as revealed by non-ideal dissolution of the parent solids and, in the case of the pH 8 dissolution, because a secondary goethite precipitate forms on the surface of the dissolving jarosite grains. The pH 2 dissolution yields only aqueous K, Fe, and SO 4. Aqueous, residual solid, and computational modelling of the jarosite structure and surfaces using the GULP and MARVIN codes, respectively, show for the first time that there is selective dissolution of the A- and T-sites, which contain K and SO 4, respectively, relative to Fe, which is located deep within the T-O-T jarosite structure. These results have implications for the chemistry of ARD/AMD waters, and for understanding reaction pathways of ARD/AMD mineral dissolution.

  4. The Monte Carlo event generator AcerMC versions 2.0 to 3.8 with interfaces to PYTHIA 6.4, HERWIG 6.5 and ARIADNE 4.1

    NASA Astrophysics Data System (ADS)

    Kersevan, Borut Paul; Richter-Waş, Elzbieta

    2013-03-01

    parton density functions. Provided is also a set of control processes: qq¯→W→ℓν; qq¯→Z/γ∗→ℓℓ; gg,qq¯→tt¯ and gg→(tt¯→)WbWb¯; Reasons for new version: Implementation of several new processes and methods. Summary of revisions: Each version added new processes or functionalities, a detailed list is given in the section “Changes since AcerMC 1.0”. Restrictions: The package is optimised for the 14 TeV pp collision simulated in the LHC environment and also works at the achieved LHC energies of 7 TeV and 8 TeV. The consistency between results of the complete generation using PYTHIA 6.4 or HERWIG 6.5 interfaces is technically limited by the different approaches taken in both these generators for evaluating αQCD and αQED couplings and by the different models for fragmentation/hadronisation. For the consistency check, in the AcerMC library contains native coded definitions of the QCD and αQED. Using these native definitions leads to the same total cross-sections both with PYTHIA 6.4 or HERWIG 6.5 interfaces.

  5. Pump-probe photoelectron velocity-map imaging of autoionizing singly excited 4s{sup 1}4p{sup 6}np{sup 1}(n=7,8) and doubly excited 4s{sup 2}4p{sup 4}5s{sup 1}6p{sup 1} resonances in atomic krypton

    SciTech Connect

    Doughty, Benjamin; Haber, Louis H.; Leone, Stephen R.

    2011-10-15

    Pump-probe photoelectron velocity-map imaging, using 27-eV high-harmonic excitation and 786-nm ionization, is used to resolve overlapping autoionizing resonances in atomic krypton, obtaining two-photon photoelectron angular distributions (PADs) for singly and doubly excited states. Two features in the photoelectron spectrum are assigned to singly excited 4s{sup 1}4p{sup 6}np{sup 1} (n = 7,8) configurations and four features provide information about double excitation configurations. The anisotropy parameters for the singly excited 7p configuration are measured to be {beta}{sub 2} = 1.61 {+-} 0.06 and {beta}{sub 4} = 1.54 {+-} 0.16 while the 8p configuration gives {beta}{sub 2} = 1.23 {+-} 0.19 and {beta}{sub 4} = 0.60 {+-} 0.15. These anisotropies most likely represent the sum of overlapping PADs from states of singlet and triplet spin multiplicities. Of the four bands corresponding to ionization of doubly excited states, two are assigned to 4s{sup 2}4p{sup 4}5s{sup 1}6p{sup 1} configurations that are probed to different J-split ion states. The two remaining doubly excited states are attributed to a previously observed, but unassigned, resonance in the vacuum-ultraviolet photoabsorption spectrum. The PADs from each of the double excitation states are also influenced by overlap from neighboring states that are not completely spectrally resolved. The anisotropies of the observed double excitation states are reported, anticipating future theoretical and experimental work to separate the overlapping PADs into the state resolved PADs. The results can be used to test theories of excited state ionization.

  6. Ethyl 8-chloro-1-cyclo­propyl-6,7-difluoro-4-oxo-1,4-dihydro­quinoline-3-carboxyl­ate

    PubMed Central

    Sun, Hong-shun; Jiang, Long; Li, Yu-Long; Lu, Xin-hua; Xu, Hong

    2011-01-01

    In the mol­ecule of the title compound, C15H12ClF2NO3, the quinoline ring system is not planar, the dihedral angle between the pyridine and benzene rings being 3.55 (8)°. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into layers parallel to (101). PMID:22219996

  7. Crystal structure of 4,4'-[(1,3,5,7-tetra-oxo-1,3,3a,4,4a,5,7,7a,8,8a-deca-hydro-4,8-etheno-pyrrolo-[3,4-f]iso-indole-2,6-di-yl)bis-(methyl-ene)]bis-(pyridin-1-ium) dinitrate.

    PubMed

    Liu, Zhimin

    2015-12-01

    In the title salt, C24H22N4O4 (2+)·2NO3 (-), the cation is U-shaped with the two iso-indole dione rings inclined to one another by 60.41 (13)°, while the two outer pyridine rings are inclined to one another by 2.77 (12)°. The dihedral angles between the pyridine ring and the adjacent iso-indole dione ring are 71.82 (12) and 86.44 (13)°. In the crystal, each nitrate anion is linked to a protonated pyridine ring by N-H⋯O hydrogen bonds. These units are linked by a series of C-H⋯O hydrogen bonds, forming a three-dimensional structure.

  8. (8S,9S,10R)-4-(4-Chloro-benz-yloxy)-7,8-didehydro-3,7-dimeth-oxy-17-methyl-morphinan-6-one monohydrate.

    PubMed

    Zheng, Xing-Liang; Chen, Shu-Jun; Jiang, Ning-Fei; Zhan, Sue-Hui

    2011-05-01

    In the title compound, C(26)H(28)Cl(N)O(4)·H(2)O, the dihedral angle betwene the two aromatic rings is 69.73 (6)°. The N-containing ring exhibits a chair conformation, while the other non-aromatic rings are in approximate envelope conformations. In the crystal, the water mol-ecule forms O-H⋯O and O-H⋯N hydrogen bonds and a C-H⋯O link also occurs.

  9. Structure, Vibrational Spectra and (11)B-NMR Chemical Shift of Na8[AlSiO4]6(B(OH)4)2: Comparison of Theory and Experiment.

    PubMed

    Schneider, Alexander G; Schomborg, Lars; Ulpe, Anna C; Rüscher, Claus H; Bredow, Thomas

    2016-09-29

    Density functional theory (DFT) calculations at generalized gradient approximation (GGA) level were performed to interpret experimental IR and Raman vibrational spectra, to assign (11)B-NMR chemical shifts, and to calculate the structure of the tetrahydroxyborate sodalite Na8[AlSiO4]6(B(OH)4)2. Full optimization of the intercalated compound gave the following structural parameters of B(OH)4(-): B-O-B (105.3-115.3°) and B-O-H (111.5-115.4°) angles, B-O (1.476 Å, 1.491 Å) and O-H (0.98 Å) distances. The calculated normal modes were assigned to experimental IR and Raman spectra. In general, close agreement between theory and experiment was obtained. The mean absolute deviation (MAD) is below 11 cm(-1). We also calculate the thermodynamical stability of Na8[AlSiO4]6(B(OH)4)2 with respect to Na8[AlSiO4]6(BH4)2 in the context of the tetrahydroborate hydration reaction.

  10. A copper(II)-selective PVC membrane electrode based on a macrocyclic ligand, 1,2,5,6,8,11-hexaazacyclododeca-7,12-dione-2,4,8,10-tetraene.

    PubMed

    Chandra, Sulekh; Singh, Chandan Kumar; Agarwal, Himanshu; Agarwal, Ram K

    2007-06-01

    An attempt has been made to develop a highly selective Cu2+-ion selective electrode based on a poly(vinyl chloride) based sensor using 1,2,5,6,8,11-hexaazacyclododeca-7,12-dione-2,4,8,10-tetraene as ionophore with 61.5% DBP in the presence of 29% PVC, 4.5% ionophore and 5% NaTBP as an anion excluder. The sensor exhibits a near Nernstian potential response of 29.5 +/- 0.3 mV per decade over a wide concentration range (2.0 x 10(-7) - 1 x 10(-1) M) with a detection limit of 8.1 x 10(-8) M between pH 3 - 11 with a fast response time of < 5 s. The selectivity coefficient values, as determined by the matched potential method (MPM), indicate excellent selectivity for Cu(II) ions over a large number of ions. The proposed sensor exhibits an adequate shelf life (4 - 5 months) with good reproducibility. The quantification of Cu(II) in electroplating wastewater and various brands of Indian tea was successfully achieved using the proposed sensor.

  11. Final analysis of proton form factor ratio data at Q2 = 4.0, 4.8, and 5.6 GeV2

    DOE PAGES

    Puckett, A. J. R.; Brash, E. J.; Gayou, O.; ...

    2012-04-11

    Recently published measurements of the proton electromagnetic form factor ratio R = μp GEp/GMp at momentum transfers Q2 up to 8.5 GeV2 in Jefferson Lab Hall C deviate from the linear trend of previous measurements in Jefferson Lab Hall A, favoring a slower rate of decrease of R with Q2. While statistically compatible in the region of overlap with Hall A, the Hall C data hint at a systematic difference between the two experiments. This possibility was investigated in a reanalysis of the Hall A data. We find that the original analysis underestimated the background in the selection of elasticmore » events. The application of an additional cut to further suppress the background increases the results for R, improving the consistency between Halls A and C.« less

  12. Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. 5. Opioid receptor binding properties of N-((4'-phenyl)-phenethyl) analogues of 8-CAC.

    PubMed

    VanAlstine, Melissa A; Wentland, Mark P; Cohen, Dana J; Bidlack, Jean M

    2007-12-01

    A series of aryl-containing N-monosubstituted analogues of the lead compound 8-[N-((4'-phenyl)-phenethyl)]-carboxamidocyclazocine were synthesized and evaluated to probe a putative hydrophobic binding pocket of opioid receptors. Very high binding affinity to the mu opioid receptor was achieved though the N-(2-(4'-methoxybiphenyl-4-yl)ethyl) analogue of 8-CAC. High binding affinity to mu and very high binding affinity to kappa opioid receptors was observed for the N-(3-bromophenethyl) analogue of 8-CAC. High binding affinity to all three opioid receptors were observed for the N-(2-naphthylethyl) analogue of 8-CAC.

  13. Reaction of 1H-1-oxo-2,4,6,8-tetrakis(tert-butyl)phenoxazine with certain group II-IV metals

    SciTech Connect

    Karsanov, I.V.; Ivakhnenko, E.P.; Khandkarova, V.S.; Rubezhov, A.Z.; Okhlobystin, O.Yu.; Minkin, V.I.; Prokof'ev, A.I.; Kabachnik, M.I.

    1987-07-10

    It has already been shown that 2-amino-4,6-di(tert-butyl)phenol reacts with 3,5-di(tert-butyl)-o-benzoquinone to form 1H-1-oxo-2,4,6,8-tetrakis(tert-butyl)phenoxazine (I), which is readily reduced by alkali metals to the corresponding semiquinone anion-radical (II), and further to the diamagnetic dianion (IIA). They made use of this ability of (I) to undergo reduction to prepare anion-radical salts with different group II-IV metals in the form of their amalgams. In the EPR spectrum of the anion-radical complex (III) formed in the reduction of (I) by a thallium amalgam, the HFI constants of the unpaired electron with magnetic nuclei of the organic ligand are close to those of the K-salt (II), and a substantial HFI is observed with the /sup 203,205/Tl nuclei. This unequivocally proves that the complex has a semiquinone structure, since an HFI on the /sup 203,205/Tl nuclei of such an order of magnitude is characteristic of o-benzoquinone salts with a thallium cation.

  14. Structural, dielectric and magnetic properties of Bi0.8Ba0.2Fe0.6Mn0.4O3 ceramic

    NASA Astrophysics Data System (ADS)

    Rangi, Manisha; Sanghi, S.; Agarwal, A.; Kaswan, K.; Jangra, S.; Singh, O.

    2016-05-01

    Polycrystalline Bi0.8Ba0.2Fe0.6Mn0.4O3 ceramic was synthesized via conventional two stage solid state reaction method. The crystal structure is examined via powder x-ray diffraction and Rietveld refinement revealed that the sample has a rhombohedral crystal structure (space group R3c). The dielectric response of the sample was analyzed in the frequency range 10 Hz to 5 MHz at different temperature. The values of dielectric constant (ɛ') and dielectric loss factor (tan δ) increases with increasing temperature at different frequencies which may be the result of increase in the number of charge carriers and their mobilities due to the thermal activation. M-H hysteresis loop was recorded at room temperature up to a field of 15 kOe which shows that there is slightly enhancement in magnetization with co-doping.

  15. Development of Ti-6Al-4V and Ti-1Al-8V-5Fe Alloys Using Low-Cost TiH2 Powder Feedstock

    SciTech Connect

    Joshi, Vineet V.; Lavender, Curt; Moxon, Vladimir; Duz, Vlad; Nyberg, Eric; Weil, K. Scott

    2012-09-25

    Thermo-mechanical processing was performed on two titanium alloy billets, a beta-titanium alloy (Ti1Al8V5Fe) and an alpha-beta titanium alloy (Ti6Al4V), which had been produced using a novel low-cost powder metallurgy process that relies on the use of TiH2 powder as a feedstock material. The thermomechanical processing was performed in the beta region of the respective alloys to form 16-mm diameter bars. The hot working followed by the heat treatment processes not only eliminated the porosity within the materials but also developed the preferred microstructures. Tensile testing and rotating beam fatigue tests were conducted on the as-rolled and heat-treated materials to evaluate their mechanical properties. The mechanical properties of these alloys matched well with those produced by the conventional ingot processing route.

  16. Thermal reactions of uranium metal, UO 2, U 3O 8, UF 4, and UO 2F 2 with NF 3 to produce UF 6

    NASA Astrophysics Data System (ADS)

    McNamara, Bruce; Scheele, Randall; Kozelisky, Anne; Edwards, Matthew

    2009-11-01

    This paper demonstrates that NF 3 fluorinates uranium metal, UO 2, UF 4, UO 3, U 3O 8, and UO 2F 2·2H 2O to produce the volatile UF 6 at temperatures between 100 and 550 °C. Thermogravimetric and differential thermal analysis reaction profiles are described that reflect changes in the uranium fluorination/oxidation state, physiochemical effects, and instances of discrete chemical speciation. Large differences in the onset temperatures for each system investigated implicate changes in mode of the NF 3 gas-solid surface interaction. These studies also demonstrate that NF 3 is a potential replacement fluorinating agent in the existing nuclear fuel cycle and in actinide volatility reprocessing.

  17. Magnetron-sputtered La0.6Sr0.4Co0.2Fe0.8O3 nanocomposite interlayer for solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Solovyev, A. A.; Ionov, I. V.; Shipilova, A. V.; Kovalchuk, A. N.; Syrtanov, M. S.

    2017-03-01

    A thin layer of a La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) is deposited between the electrolyte and the La0.6Sr0.4Co0.2Fe0.8O3/Ce0.9Gd0.1O2 (LSCF/CGO) cathode layer of a solid oxide fuel cell (SOFC) by pulsed magnetron sputtering using an oxide target of LSCF. The films were completely dense and well adherent to the substrate. The effects of annealing in temperature range from 200 to 1000 °C on the crystalline structure of the LSCF films have been studied. The films of nominal thickness, 250-500 nm, are crystalline when annealed at temperatures above 600 °C. The crystalline structure, surface topology, and morphology of the films were determined using X-ray diffraction (XRD), atomic force microscopy (AFM), and scanning electron microscopy (SEM), respectively. To study the electrochemical characteristics of the deposited-film, solid oxide fuel cells using 325-nm LSCF films as interlayer between the electrolyte and the cathode have been fabricated. The LSCF interlayer improves the overall performance of the SOFC by increasing the interfacial area between the electrolyte and cathode. The electrolyte-supported cells with the interlayer have 30% greater, overall power output compared to that achieved with the cells without interlayer. The LSCF interlayer could also act as a transition layer that improves adhesion and relieves both thermal stress and lattice strain between the cathode and the electrolyte. Our results demonstrate that pulsed magnetron sputtering provides a low-temperature synthesis route for realizing ultrathin nanocrystalline LSCF film layers for intermediate- or low-temperature solid oxide fuel cells.

  18. Genetic variability of VP7, VP4, VP6 and NSP4 genes of common human G1P[8] rotavirus strains circulating in Italy between 2010 and 2014.

    PubMed

    Ianiro, Giovanni; Delogu, Roberto; Fiore, Lucia; Ruggeri, Franco M

    2016-07-15

    Group A rotaviruses (RVA) are the leading cause of acute gastroenteritis (AGE) in young children worldwide. The RVA outer capsid layer is composed of the VP7 and VP4 proteins. The VP7 (G-type) and VP4 (P-type) genotypes are the basis for the binary RVA nomenclature. At least 27 G-types and 37 P-types of RVA are currently known, but most of human infections are related to the five major genotypes G1P[8], G2P[4], G3P[8], G4P[8], and G9P[8]. Every year G1P[8] strains cause approximately 50% of all symptomatic RVA infections reported in children in Italy. Fifteen G1P[8] RVA strains identified in different areas of Italy between 2010 and 2014 were selected. Strains were subjected to nucleotide sequencing of the VP7, VP4, VP6 and NSP4 genes to investigate their genetic variability with respect to geographic area and date of detection. Phylogenetic analyses showed that the 15 G1P[8] RVA strains belonged to two different lineages for both the VP7 and NSP4 genes, and showed some intra-lineage diversity in VP4 and VP6 genes. Similarities between strains correlated by either area or date of detection were also evaluated. The results obtained by phylogenetic analyses were confirmed analyzing the deduced amino acid sequences of the VP7, VP4, VP6 and NSP4 proteins of the G1P[8] RVA strains, detecting several substitutions in all proteins. The genetic variability observed between common G1P[8] RVAs highlights the constant evolution of the RVA genome through random point mutations (genetic drift) and intra-genotype reassortment (genetic shift). The evolution and diversity of the G1 RVA strains observed in this study can be related to the naturally acquired herd immunity, which represents the main mechanism of selective pressure in Italy, where mass anti-rotavirus vaccination was missing during the years of the study.

  19. Large change in thermopower with temperature driven p-n type conduction switching in environment friendly BaxSr2-xTi0.8Fe0.8Nb0.4O6 double perovskites.

    PubMed

    Roy, Pinku; Waghmare, Vikram; Tanwar, Khagesh; Maiti, Tanmoy

    2017-02-22

    Oxide based thermoelectric materials have gained some interest in recent times due to their low thermal conductivity, environment friendly nature and high temperature durability. In the present work, the effect of Nb(5+) doping on the thermoelectric properties of BaxSr2-xTiFeO6 based double perovskites was investigated. BaxSr2-xTi0.8Fe0.8Nb0.4O6 (BSTFN) double perovskites with stoichiometric compositions of 0.0 ≤ x ≤ 0.25 were synthesized by the solid-state reaction method. Rietveld refinement powder XRD data confirmed single-phase solid solutions with cubic crystal symmetry for all the BSTFN compositions. Dense microstructures with fine grain-sizes were observed in SEM studies of the as-synthesized oxide samples. Thermoelectric parameters like the Seebeck coefficient (S), the electrical conductivity (σ) and thermal diffusivity of these oxide samples were measured in the temperature range from 300 K to 1223 K. All the BSTFN compositions exhibited temperature driven p-n type conduction switching along with a colossal change in thermopower. The maximum drop in thermopower (ΔS) of ∼1146 μV K(-1) was observed for BaxSr2-xTi0.8Fe0.8Nb0.4O6 with composition of x = 0.25. From the temperature dependent conductivity studies it is evident that all the compositions underwent intermediate semiconductor to metal-like transition before it showed conversion from p-type to n-type semiconductor behavior in the thermo-power (S) measurement. The conduction mechanisms of these oxides were further explained by the small polaron hopping model.

  20. Stability and performance of La0.6Sr0.4Co0.2Fe0.8O3-δ nanostructured cathodes with Ce0.8Gd0.2O1.9 surface coating

    NASA Astrophysics Data System (ADS)

    dos Santos-Gómez, L.; Porras-Vázquez, J. M.; Losilla, E. R.; Martín, F.; Ramos-Barrado, J. R.; Marrero-López, D.

    2017-04-01

    La0.6Sr0.4Co0.2Fe0.8O3-δ is considered as one of the most promising cathodes for Solid Oxide Fuels Cells (SOFCs) operating at intermediate temperatures, however, its performance degrades significantly over time mainly due to phase segregations on the surface. In this work, the surface of La0.6Sr0.4Co0.2Fe0.8O3-δ-Ce0.8Gd0.2O1.9 (LSCF-CGO) nanostructured cathode is coated with CGO particles via a simple and economic spray-pyrolysis deposition process. The electrode polarization resistance (Rp) and the microstructure evolution of the uncoated and CGO-coated cathodes are investigated by impedance spectroscopy and scanning electron microscopy, respectively. The CGO-coated cathodes exhibit improved stability and performance, with Rp values varying from 0.27 to 0.30 Ωcm2 at an annealing temperature of 600 °C for 400 h. On the contrary, the uncoated cathode shows a faster degradation rate, with a continuous increase of Rp from 2.8 to 8.5 Ωcm2. Above 800 °C, the particle coarsening of the CGO layer results in a significant increase of Rp over time, reaching steady values of 0.04 Ωm2 at 800 °C. An anode-supported cell with the CGO-coated cathode shows a remarkable power density of 0.72 Wcm-2 at 650 °C in comparison to 0.56 Wcm-2 for the cell with uncoated cathode.

  1. Theoretical and spectroscopic study of ethyl 1,4-dihydro-4-oxoquinoline-3-carboxylate and its 6-fluoro and 8-nitro derivatives in neutral and radical anion forms

    NASA Astrophysics Data System (ADS)

    Rimarčík, Ján; Punyain, Kraiwan; Lukeš, Vladimír; Klein, Erik; Dvoranová, Dana; Kelterer, Anne-Marie; Milata, Viktor; Lietava, Jozef; Brezová, Vlasta

    2011-05-01

    A systematic comparative theoretical and spectroscopic study has been performed on a series of four recently prepared ethyl 4-oxoquinoline-3-carboxylate derivatives possessing a variety of biological activities. The most probable oxo- and hydroxy-tautomeric neutral molecular forms were identified using density functional theory (DFT). Vertical optical transitions were calculated for global minima using time-dependent version of DFT. Calculated spectra were compared with the experimental electronic spectra of quinolones measured in various aprotic solvents (toluene, acetonitrile, dimethylsulfoxide). Finally, the structures and spin density distributions of radical anions obtained upon photoinduced reduction of two nitro-substituted derivatives in titania suspension were deduced from the comparison of calculated isotropic hyperfine coupling constants with experimental data determined from EPR spectra.

  2. Studies of (Cs,Ba)-hollandite dissolution under gamma irradiation at 95 °C and at pH 2.5, 4.4 and 8.6

    NASA Astrophysics Data System (ADS)

    Suzuki-Muresan, T.; Vandenborre, J.; Abdelouas, A.; Grambow, B.; Utsunomiya, S.

    2011-12-01

    In the frame of the former French 1991-law on waste management, which was extended in 2006-law, hollandite ceramic was studied as a potential specific conditioning matrix for caesium isotopes (long-life radionuclide 135Cs and the strong heat generating radionuclide 137Cs). In this general study of Cs-containment in a ceramic matrix, the chemical durability was pointed out as a key property. Leaching experiments in static mode were conducted during 240 days at various pH-values from acidic to alkaline range. The initial leaching rates between 0 and 45 days are faster for Cs than for Ba and the average for the caesium are (1.4 ± 0.1) × 10 -4 g/m 2/d (pH 2.5), (6.4 ± 0.9) × 10 -5 g/m 2/d (pH 4.4) and (3.1 ± 0.6) × 10 -5 g/m 2/d (pH 8.6), and for the barium (6 ± 1) × 10 -5 g/m 2/d (pH 2.5), (2.8 ± 0.3) × 10 -5 g/m 2/d (pH 4.4), and (2 ± 2) × 10 -6 g/m 2/d (pH 8.6). At the equilibrium between 45 and 240 days, the normalised mass losses average for caesium are (8.2 ± 0.3) × 10 -3 g/m 2 (pH 2.5), (5.2 ± 0.4) × 10 -3 g/m 2 (pH 4.4) and (4.1 ± 0.2) × 10 -3 g/m 2 (pH 8.6), and for barium (3.7 ± 0.4) × 10 -3 g/m 2 (pH 2.5), (2.0 ± 0.1) × 10 -3 g/m 2 (pH 4.4) and (4 ± 2) × 10 -4 g/m 2 (pH 8.6). Caesium and barium are incongruently released in solution with a correlation slope close to 0.5 at pH 2.5 and pH 4.4 and very low (near 0.02) in alkaline solution. Sorption experiments with radioactive isotopes ( 137Cs and 133Ba) were conducted on hollandite pre-leached in aqueous solutions. Caesium and barium release is controlled by the surface reactions. Leaching experiments and isotopic addition experiments ( 137Cs- and 133Ba-radiotracer) indicate that caesium behaviour is independent on pH-values, whereas barium behaviour is strongly dependent. Additional experiments in the presence of gamma irradiation ( 60Co source) did not show any significant effect on hollandite leaching process.

  3. Modelling the role of electron attachment rates on column density ratios for C n H-/C n H (n=4,6,8) in dense molecular clouds

    NASA Astrophysics Data System (ADS)

    Gianturco, F. A.; Grassi, T.; Wester, R.

    2016-10-01

    The fairly recent detection of a variety of anions in the interstellar molecular clouds have underlined the importance of realistically modelling the processes governing their abundance. To pursue this task, our earlier calculations for the radiative electron attachment (REA) rates for C4H-, C6H-, and C8H- are employed in the present work, within a broad network of other concurrent reactions, to generate the corresponding column density ratios of anion/neutral (A/N) relative abundances. The latter are then compared with those obtained in recent years from observational measurements. The calculations involved the time-dependent solutions of a large network of chemical processes over an extended time interval and included a series of runs in which the values of REA rates were repeatedly scaled over several orders of magnitude. Macroscopic parameters for the Clouds’ modelling were also varied to cover a broad range of physical environments. It was found that, within the range and quality of the processes included in the present network,and selected from state-of-the-art astrophysical databases, the REA values required to match the observed A/N ratios needed to be reduced by orders of magnitude for C4H- case, while the same rates for C6H- and C8H- only needed to be scaled by much smaller factors. The results suggest that the generally proposed formation of interstellar anions by REA mechanism is overestimated by current models for the C4H- case, for which is likely to be an inefficient path to formation. This path is thus providing a rather marginal contribution to the observed abundances of C4H-, the latter being more likely to originate from other chemical processes in the network, as we discuss in some detail in the present work. Possible physical reasons for the much smaller differences against observations found instead for the values of the (A/N) ratios in two other, longer members of the series are put forward and analysed within the evolutionary modelling

  4. 2-[6,8-Dibromo-3-(4-hy­droxy­cyclo­hex­yl)-1,2,3,4-tetra­hydro­quinazolin-2-yl]phenol methanol 0.25-solvate

    PubMed Central

    Wang, Zhi-Gang; Wang, Rong; Zhi, Feng; Wang, Ming-Li

    2011-01-01

    The title compound, C20H22Br2N2O2·0.25CH4O, was synthesized by the condensation reaction of salicyl­aldehyde with 4-(2-amino-3,5-dibromo­benzyl­amino)­cyclo­hexa­nol in methanol. There are four independent main mol­ecules and two half-occupied methanol solvent mol­ecules in the asymmetric unit. The dihedral angles between the two benzene rings in the four mol­ecules are 87.8 (6), 86.6 (6), 89.3 (6) and 83.1 (6)°. Each mol­ecule features an intra­molecular O—H⋯N hydrogen bond and a short N—H⋯Br link. In the crystal components are linked by O—H⋯O hydrogen bonds. PMID:21754095

  5. New 7-arylpiperazinylalkyl-8-morpholin-4-yl-purine-2,6-dione derivatives with anxiolytic activity - Synthesis, crystal structure and structure-activity study

    NASA Astrophysics Data System (ADS)

    Chłoń-Rzepa, Grażyna; Żmudzki, Paweł; Pawłowski, Maciej; Wesołowska, Anna; Satała, Grzegorz; Bojarski, Andrzej J.; Jabłoński, Mateusz; Kalinowska-Tłuścik, Justyna

    2014-06-01

    On the basis of our earlier studies with serotonin (5-HT) receptor ligands in the group of long-chain arylpiperazines (LCAPs), a new series of 7-arylpiperazinylalkyl-8-morpholin-4-yl-purine-2,6-dione derivatives (5-12) has been designed, synthesised and studied in vitro for their affinity for 5-HT1A, 5-HT2A, 5-HT6 and 5-HT7 receptors. The introduction of o-OCH3 and m-Cl into the phenylpiperazinyl moiety as well as the elongation of the linker between purine-2,6-dione core and arylpiperazine fragment modified the affinity for the tested 5-HT receptors. The structures of compounds 9-11 (hydrochloride salts) were confirmed by an X-ray diffraction method. All molecules adopted a different conformation in the crystal. The strongest observed type of interaction is a charge assisted hydrogen bond N+-H⋯Cl-. Additionally, the π-π interactions between 1,3-dimethyl-3,7-dihydropurine-2,6-dione cores of the neighbouring molecules were also observed. As it is observed in the presented crystal structures, the morpholine ring (a potential donor and acceptor of the hydrogen bonds) seems to be an attractive substituent, that may support binding to the non-specific sites of 5-HT receptors. Another interesting feature is the mutual orientation of rings in the arylpiperazine fragment, with plausible influence on ligand-receptor recognition. For compound 10, with strong 5-HT1A binding affinity, the mutual orientation of rings is determined by the intramolecular weak C-H⋯O hydrogen bond. This observation may contribute to a better understanding of the more selective binding of o-OCH3 arylpiperazine derivatives to the 5-HT1A receptor.

  6. Binuclear complexes of bis-chelating ligands based on [1,4]dioxocino[6,5-b:7,8-b']dipyridine moieties.

    PubMed

    Casalino, Marcello; De Felice, Vincenzo; Fraldi, Natascia; Panunzi, Achille; Ruffo, Francesco

    2009-07-06

    Ligands based on a [1,4]dioxocino[6,5-b:7,8-b']dipyridine (doxpy) core were prepared and characterized. They all present two equal chelating moieties each one including one N, O, or S donor in addition to a pyridinic nitrogen. These ligands displayed high selectivity for the formation of binuclear complexes. At least one d(8) ion (Pd(II) or Pt(II)) complex was prepared for each type of ligand. The stereochemical behavior of the ligands is discussed on the basis of NMR spectra. Stable atropoisomers were obtained in the case of N-oxides or in case chiral centers were introduced in the ethereal bridge. As for the complexes, stable enantiomers appear to be in principle attainable for all the new compounds. A test on the cooperative ability of two Pd(II) centers has been grounded on the microstructure of the styrene/CO copolymer catalytically produced by a binuclear pyridine-imino complex. In fact, comparison with the microstructure of the copolymers produced by related single-site mono- and (open-chain) binuclear catalysts reveals significant difference, thus giving indication of possible synergic metal activity.

  7. A Hirshfeld surface analysis, crystal structure and infrared characterization of a new organic cyclohexaphosphate, (C8H12N)4(Li)2(P6O18)(H2O)6

    NASA Astrophysics Data System (ADS)

    Khedhiri, L.; Ferretti, V.; Jelsch, C.; Rzaigui, M.; Ben Nasr, C.

    2017-04-01

    Single crystals of a new organic cyclohexaphosphate (C8H12N)4(Li)2(P6O18)(H2O)6 prepared by an acid/base reaction between cyclohexaphosphoric acid H6P6O18 and 2,6-dimethylaniline, have been successfully grown by slow evaporation technique at room temperature. This compound was characterized using X-ray diffraction (XRD) and FT-IR spectroscopy. The results show that the title compound was phased with a triclinic structure and P-1 space group. The crystal structure was solved by using 5203 independent reflections with a final R value of 0.031. The P6O18 ring is centrosymmetrical. Its main geometrical features are those commonly observed in others cyclohexaphosphates. The atomic arrangement of this compound can be described by an organization in a three-dimensional framework, built up from alternated organic and inorganic species. Adjacent P6O18 rings are linked via corner-sharing by LiO4 tetrahedra, generating anionic [Li2(P6O18)(H2O)]4- layers parallel to (110). Charge balance is achieved by the protonated amine which is trapped in the interlayer space and interacts with the organic framework through strong and medium hydrogen bonding. An extensive network of Nsbnd H⋯O and Osbnd H⋯O hydrogen-bonding interactions link the components into a three-dimensional network and additional stabilization is provided by weak Csbnd H⋯O hydrogen bonds. Intermolecular interactions were investigated by Hirshfeld surfaces. The vibrational absorption bands were identified by infrared spectroscopy. The stretching modes of P6O18 ring and band assignments are described.

  8. We are Family: the Conformations of 1-FLUOROALKANES, C_nH2n+1F (n = 2,3,4,5,6,7,8)

    NASA Astrophysics Data System (ADS)

    Obenchain, Daniel A.; Orellana, W.; Cooke, S. A.

    2016-06-01

    he pure rotational spectra of the n = 5, 6, 7, and 8 members of the 1-fluoroalkane family have been recorded between 7 GHz and 14 GHz using chirped pulse Fourier transform microwave spectroscopy. The spectra have been analyzed and results will be presented and compared with previous work on the n= 2, 3, and 4 members. The lowest energy conformer for all family members has the common feature that the fluorine is in a gauche position relative to the alkyl tail for which all other heavy atom dihedral angles, where appropriate, are 180 degrees. For the n = 3 and higher family members the second lowest energy conformer has all heavy atom dihedral angles equal to 180 degrees. For each family member transitions carried by both low energy conformers were observed in the collected rotational spectra. Quantum chemical calculations were performed and trends in the energy separations between these two common conformers will be presented as a function of chain length. Furthermore, longer chain lengths have been examined using only quantum chemical calculations and results will be presented. M. Hayashi, M. Fujitake, T. Inagusa, S. Miyazaki, J.Mol.Struct., 216, 9-26, 1990 W. Caminati, A. C. Fantoni, F. Manescalchi, F. Scappini, Mol.Phys., 64, 1089 ,1988 L. B. Favero, A. Maris, A. Degli Esposti, P. G. Favero, W. Caminati, G. Pawelke, Chem.Eur.J., 6(16), 3018-3025, 2000

  9. Electronic coupling between two cyclometalated ruthenium centers bridged by 1,3,6,8-tetrakis(1-butyl-1H-1,2,3-triazol-4-yl)pyrene.

    PubMed

    Wang, Lei; Yang, Wen-Wen; Zheng, Ren-Hui; Shi, Qiang; Zhong, Yu-Wu; Yao, Jiannian

    2011-08-01

    A new bridging ligand 1,3,6,8-tetrakis(1-butyl-1H-1,2,3-triazol-4-yl)pyrene (ttapyr) was designed and synthesized by "click" chemistry. This ligand was used to construct a linear dimetallic biscyclometalated Ru(II) complex [(tpy)Ru(ttapyr)Ru(tpy)](2+) and a monometallic complex [(tpy)Ru(ttapyr)](+), where tpy is 2,2':6',2″-terpyridine. The electronic properties of these complexes were studied and compared by electrochemical and spectroscopic methods with the aid of DFT calculations. One-electron oxidation of [(tpy)Ru(ttapyr)Ru(tpy)](2+) with cerium ammonium nitrate produced a mixed-valent complex [(tpy)Ru(ttapyr)Ru(tpy)](3+). The intramolecular electronic coupling between individual metal centers was quantified by the intervalence charge transfer transition analysis. Mixed-valent complex [(tpy)Ru(ttapyr)Ru(tpy)](3+) exhibits a metal-centered rhombic EPR signal at 77 K with an average g factor of 2.203.

  10. A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering

    PubMed Central

    Liu, L. H.; Yang, C.; Kang, L. M.; Qu, S. G.; Li, X. Q.; Zhang, W. W.; Chen, W. P.; Li, Y. Y.; Li, P. J.; Zhang, L. C.

    2016-01-01

    It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications. PMID:27029858

  11. A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering

    NASA Astrophysics Data System (ADS)

    Liu, L. H.; Yang, C.; Kang, L. M.; Qu, S. G.; Li, X. Q.; Zhang, W. W.; Chen, W. P.; Li, Y. Y.; Li, P. J.; Zhang, L. C.

    2016-03-01

    It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications.

  12. 6 CFR 5.8 - Business information.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 6 Domestic Security 1 2012-01-01 2012-01-01 false Business information. 5.8 Section 5.8 Domestic... Freedom of Information Act § 5.8 Business information. (a) In general. Business information obtained by... this section. (b) Definitions. For purposes of this section: (1) Business information means...

  13. 6 CFR 5.8 - Business information.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 6 Domestic Security 1 2010-01-01 2010-01-01 false Business information. 5.8 Section 5.8 Domestic... Freedom of Information Act § 5.8 Business information. (a) In general. Business information obtained by... this section. (b) Definitions. For purposes of this section: (1) Business information means...

  14. 6 CFR 5.8 - Business information.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 6 Domestic Security 1 2014-01-01 2014-01-01 false Business information. 5.8 Section 5.8 Domestic... Freedom of Information Act § 5.8 Business information. (a) In general. Business information obtained by... this section. (b) Definitions. For purposes of this section: (1) Business information means...

  15. 6 CFR 5.8 - Business information.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 6 Domestic Security 1 2013-01-01 2013-01-01 false Business information. 5.8 Section 5.8 Domestic... Freedom of Information Act § 5.8 Business information. (a) In general. Business information obtained by... this section. (b) Definitions. For purposes of this section: (1) Business information means...

  16. 6 CFR 5.8 - Business information.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 6 Domestic Security 1 2011-01-01 2011-01-01 false Business information. 5.8 Section 5.8 Domestic... Freedom of Information Act § 5.8 Business information. (a) In general. Business information obtained by... this section. (b) Definitions. For purposes of this section: (1) Business information means...

  17. A novel technique for measurement of thermal rate constants and temperature dependences of dissociative recombination: CO2+, CF3+, N2O+, C7H8+, C7H7+, C6H6+, C6H5+, C5H6+, C4H4+, and C3H3+

    NASA Astrophysics Data System (ADS)

    Fournier, Joseph A.; Shuman, Nicholas S.; Melko, Joshua J.; Ard, Shaun G.; Viggiano, Albert A.

    2013-04-01

    A novel technique using a flowing afterglow-Langmuir probe apparatus for measurement of temperature dependences of rate constants for dissociative recombination (DR) is presented. Low (˜1011 cm-3) concentrations of a neutral precursor are added to a noble gas/electron afterglow plasma thermalized at 300-500 K. Charge exchange yields one or many cation species, each of which may undergo DR. Relative ion concentrations are monitored at a fixed reaction time while the initial plasma density is varied between 109 and 1010 cm-3. Modeling of the decrease in concentration of each cation relative to the non-recombining noble gas cation yields the rate constant for DR. The technique is applied to several species (O2+, CO2+, CF3+, N2O+) with previously determined 300 K values, showing excellent agreement. The measurements of those species are extended to 500 K, with good agreement to literature values where they exist. Measurements are also made for a range of CnHm+ (C7H7+, C7H8+, C5H6+, C4H4+, C6H5+, C3H3+, and C6H6+) derived from benzene and toluene neutral precursors. CnHm+ DR rate constants vary from 8-12 × 10-7 cm3 s-1 at 300 K with temperature dependences of approximately T-0.7. Where prior measurements exist these results are in agreement, with the exception of C3H3+ where the present results disagree with a previously reported flat temperature dependence.

  18. A novel technique for measurement of thermal rate constants and temperature dependences of dissociative recombination: CO2(+), CF3(+), N2O(+), C7H8(+), C7H7(+), C6H6(+), C6H5(+), C5H6(+), C4H4(+), and C3H3(+).

    PubMed

    Fournier, Joseph A; Shuman, Nicholas S; Melko, Joshua J; Ard, Shaun G; Viggiano, Albert A

    2013-04-21

    A novel technique using a flowing afterglow-Langmuir probe apparatus for measurement of temperature dependences of rate constants for dissociative recombination (DR) is presented. Low (~10(11) cm(-3)) concentrations of a neutral precursor are added to a noble gas∕electron afterglow plasma thermalized at 300-500 K. Charge exchange yields one or many cation species, each of which may undergo DR. Relative ion concentrations are monitored at a fixed reaction time while the initial plasma density is varied between 10(9) and 10(10) cm(-3). Modeling of the decrease in concentration of each cation relative to the non-recombining noble gas cation yields the rate constant for DR. The technique is applied to several species (O2(+), CO2(+), CF3(+), N2O(+)) with previously determined 300 K values, showing excellent agreement. The measurements of those species are extended to 500 K, with good agreement to literature values where they exist. Measurements are also made for a range of CnHm(+) (C7H7(+), C7H8(+), C5H6(+), C4H4(+), C6H5(+), C3H3(+), and C6H6(+)) derived from benzene and toluene neutral precursors. CnHm(+) DR rate constants vary from 8-12 × 10(-7) cm(3) s(-1) at 300 K with temperature dependences of approximately T(-0.7). Where prior measurements exist these results are in agreement, with the exception of C3H3(+) where the present results disagree with a previously reported flat temperature dependence.

  19. Development and Binding Mode Assessment of N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-L-γ-glutamyl-D-glutamic acid (BGC 945), a Novel Thymidylate Synthase Inhibitor that Targets Tumor Cells

    PubMed Central

    Tochowicz, Anna; Dalziel, Sean; Eidam, Oliv; O’Connell, Joseph D.; Griner, Sarah; Finer-Moore, Janet S.; Stroud, Robert M.

    2013-01-01

    N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-L-γ-glutamyl-D-glutamic acid 1 (BGC 945, now known as ONX 0801), is a small molecule thymidylate synthase (TS) inhibitor discovered at the Institute of Cancer Research in London. It is licensed by Onyx Pharmaceuticals and is in Phase 1 clinical studies. It is a novel antifolate drug resembling TS inhibitors plevitrexed and raltitrexed that combines enzymatic inhibition of thymidylate synthase with α-folate receptor-mediated targeting of tumor cells. Thus, it has potential for efficacy with lower toxicity due to selective intracellular accumulation through α-folate receptor (α-FR) transport. The α-FR, a cell-surface receptor glycoprotein, which is over expressed mainly in ovarian and lung cancer tumors, has an affinity for 1 similar to that for its natural ligand, folic acid. This study describes a novel synthesis of 1, an X-ray crystal structure of its complex with Escherichia coli TS and 2’-deoxyuridine-5’-monophosphate, and a model for a similar complex with human TS. PMID:23710599

  20. 8 CFR 245.6 - Interview.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Interview. 245.6 Section 245.6 Aliens and... ADMITTED FOR PERMANENT RESIDENCE § 245.6 Interview. Each applicant for adjustment of status under this part shall be interviewed by an immigration officer. This interview may be waived in the case of a...

  1. 8 CFR 1245.6 - Interview.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Interview. 1245.6 Section 1245.6 Aliens and... OF STATUS TO THAT OF PERSON ADMITTED FOR PERMANENT RESIDENCE § 1245.6 Interview. Each applicant for adjustment of status under this part shall be interviewed by an immigration officer. This interview may...

  2. Crystal structure of ethyl 2-[9-(5-bromo-2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetate.

    PubMed

    Mohamed, Shaaban K; Akkurt, Mehmet; Jasinski, Jerry P; Abdelhamid, Antar A; Tamam, Asmaa H; Albayati, Mustafa R

    2015-12-01

    In the title compound, C23H24BrNO5, the central 1,4-di-hydro-pyridine ring of the 1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine ring system adopts a half-chair conformation. The two cyclo-hexene rings fused to the central ring both have a twisted-boat conformation. The mean planes of the bromo-hydroxy-phenyl ring and the major and minor components of the disordered ethyl amino-acetate moiety make dihedral angles of 78.99 (12), 85.9 (2) and 88.3 (9)°, respectively, with the 1,4-di-hydro-pyridine ring. The terminal ethyl group of the ethyl amino-acetate moiety is disordered over two sets of sites with refined occupancies of 0.768 (17) and 0.232 (17). The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond, forming an S(8) ring motif. In the crystal, C-H⋯O hydrogen bonds connect the mol-ecules into layers parallel to (001), enclosing R 1 (2)(7) ring motifs.

  3. Cyclic polyvanadates incorporating template transition metal cationic species: synthesis and structures of hexavanadate [PdV6O18]4-, octavanadate [Cu2V8O24]4-, and decavanadate [Ni4V10O30(OH)2(H2O)6]4-.

    PubMed

    Kurata, Taisei; Uehara, Akira; Hayashi, Yoshihito; Isobe, Kiyoshi

    2005-04-04

    Three types of heteropolyvanadates, [(C2H5)4N]4[PdV6O18] (1), [(C2H5)4N]4[Cu2V8O24] (2), and [(C6H5)4P]4[Ni4V10O30(OH)2(H2O)6] (3), were synthesized through the reaction between the [VO3]- anion and metal template cations of Pd(II), Cu(II), and Ni(II). The X-ray crystal structures of 1 (a = 29.952(4) A, b = 12.911(2) A, and c = 13.678(2) A, orthorhombic, space group Pca2(1) with Z = 4), 2 (a = 13.740(1) A, b = 22.488(2) A, c = 18.505(2) A, and beta= 94.058(2) degrees , monoclinic, space group P2(1)/n with Z = 4), and 3 (a = 12.333(2) A, b = 16.208(4) A, c = 16.516(3) A, alpha = 112.438(3) degrees , beta = 94.735(3) degrees , and gamma = 104.749(3) degrees , triclinic, space group P with Z = 1) demonstrate that the metal cationic species induced cyclic [VO3](n-)n (n = 6, 8, 10) ring formation and the cations are incorporated in the rings themselves. In the metal inclusion products, the cyclic vanadates act as macrocyclic ligands, in which the metal cationic species act as the templates. The cyclic vanadate is composed of tetrahedral VO4 units that share corners and incorporates a metal cationic species in the center of the molecules. The bowl-shaped complex 1 includes a Pd2+ cation that is coordinated by the oxygen donors of a boatlike hexavanadate ring. The diamagnetic complex 1 was characterized via 51V and 17O NMR spectroscopy. Complex 2 involves an octavanadate ring and two Cu2+, which are located on both sides of the mean plane as defined by the eight oxygen atoms that bridge the vanadium atoms. In the case of complex 3, the di-mu-hydroxo-bridged Ni2+ dimer with capped Ni2+ aqua ions is formed by hydrolysis to form the decavanadate ring, in which two of the tetrahedral vanadate units are not bonded to the Ni2+ core but supported by hydrogen bonds through the aqua-ligand in the capped Ni2+ cation. Complexes 1-3 in solution were clearly identified by their characteristic isotope patterns using ESI-MS studies.

  4. Umbra Ver. 4.8

    SciTech Connect

    Oppel, III, Fred; Hart, Brian; Hart, Derek; Linebarger, John; Rigdon, J. Brian; Wolfenbarger, Paul; Xavier, Patrick; & Gottlieb, Eric

    2010-02-24

    Umbra is a software package that has been in development at Sandia National Laboratories since 1995, under the name Umbra since 1997. Umbra is a software framework written in C++ and Tcl/Tk that has been applied to many operations, primarily dealing with robotics and simulation. Umbra executables are C++ libraries orchestrated with Tcl/Tk scripts. Two major feature upgrades occurred from 4.7 to 4.8 1. System Umbra Module with its own Update Graph within the C++ framework. 2. New terrain graph for fast line-of-sight calculations All else were minor updates such as later versions of Visual Studio, OpenSceneGraph and Boost.

  5. Polymorphic variants of cytochrome P450 2B6 (CYP2B6.4-CYP2B6.9) exhibit altered rates of metabolism for bupropion and efavirenz: a charge-reversal mutation in the K139E variant (CYP2B6.8) impairs formation of a functional cytochrome p450-reductase complex.

    PubMed

    Zhang, Haoming; Sridar, Chitra; Kenaan, Cesar; Amunugama, Hemali; Ballou, David P; Hollenberg, Paul F

    2011-09-01

    In this study, metabolism of bupropion, efavirenz, and 7-ethoxy-4-trifluoromethylcoumarin (7-EFC) by CYP2B6 wild type (CYP2B6.1) and six polymorphic variants (CYP2B6.4 to CYP2B6.9) was investigated in a reconstituted system to gain a better understanding of the effects of the mutations on the catalytic properties of these naturally occurring variants. All six variants were successfully overexpressed in Escherichia coli, including CYP2B6.8 (the K139E variant), which previously could not be overexpressed in mammalian COS-1 cells (J Pharmacol Exp Ther 311:34-43, 2004). The steady-state turnover rates for the hydroxylation of bupropion and efavirenz and the O-deethylation of 7-EFC showed that these mutations significantly alter the catalytic activities of CYP2B6. It was found that CYP2B6.6 exhibits 4- and 27-fold increases in the K(m) values for the hydroxylation of bupropion and efavirenz, respectively, and CYP2B6.8 completely loses its ability to metabolize any of the substrates under normal turnover conditions. However, compared with CYP2B6.1, CYP2B6.8 retains 77% of its 7-EFC O-deethylase activity in the presence of tert-butyl hydroperoxide as an alternative oxidant, indicating that the heme and the active site are catalytically competent. Presteady-state measurements of the rate of electron transfer from NADPH-dependent cytochrome P450 reductase (CPR) to CYP2B6.8 using stopped-flow spectrophotometry revealed that CYP2B6.8 is incapable of accepting electrons from CPR. These observations provide conclusive evidence suggesting that the charge-reversal mutation in the K139E variant prevents CYP2B6.8 from forming a functional complex with CPR. Results from this work provide further insights to better understand the genotype-phenotype correlation regarding CYP2B6 polymorphisms and drug metabolism.

  6. For states that opt out of Medicaid expansion: 3.6 million fewer insured and $8.4 billion less in federal payments.

    PubMed

    Price, Carter C; Eibner, Christine

    2013-06-01

    The US Supreme Court's ruling on the Affordable Care Act in 2012 allowed states to opt out of the health reform law's Medicaid expansion. Since that ruling, fourteen governors have announced that their states will not expand their Medicaid programs. We used the RAND COMPARE microsimulation to analyze how opting out of Medicaid expansion would affect coverage and spending, and whether alternative policy options-such as partial expansion of Medicaid-could cover as many people at lower costs to states. With fourteen states opting out, we estimate that 3.6 million fewer people would be insured, federal transfer payments to those states could fall by $8.4 billion, and state spending on uncompensated care could increase by $1 billion in 2016, compared to what would be expected if all states participated in the expansion. These effects were only partially mitigated by alternative options we considered. We conclude that in terms of coverage, cost, and federal payments, states would do best to expand Medicaid.

  7. Solvent effect on the absorption and fluorescence spectra of 7-acetoxy-6-(2,3-dibromopropyl)-4,8-dimethylcoumarin: determination of ground and excited state dipole moments.

    PubMed

    Gülseven Sıdır, Yadigar; Sıdır, Isa

    2013-02-01

    The ground state (μ(g)) and excited state (μ(e)) dipole moments of 7-acetoxy-6-(2,3-dibromopropyl)-4,8-dimethylcoumarin (abbreviated as 7ADDC) are estimated from solvatochromic shifts of absorption and fluorescence spectra as a function of the dielectric constant (ε) and refractive index (n). While the ground state dipole moment is determined by using Bilot-Kawski method, the excited state dipole moment is calculated by using Bilot-Kawski, Lippert-Mataga, Bakhshiev, Kawski-Chamma-Viallet and Reichardt correlation methods. Excited state dipole moment is observed as larger than the ground state dipole moment due to substantial π-electron density redistribution. The ground state and excited state dipole moments are observed as parallel to each other with angle of 0°. Solute-solvent interactions are analyzed by means of linear solvation free energy relationships (LSER) using dielectric constant function (f(ε)), refractive index function (f(n)) and Kamlet-Taft parameters (α and β). Atomic charges, electron densities and molecular orbitals are calculated in vacuum and with solvent effect by using both DFT and TDDFT methods. Solvent accessible surface, molecular electrostatic potential (MEP) and electrostatic potential (ESP) are visualized as a result of DFT calculations.

  8. Solvent effect on the absorption and fluorescence spectra of 7-acetoxy-6-(2,3-dibromopropyl)-4,8-dimethylcoumarin: Determination of ground and excited state dipole moments

    NASA Astrophysics Data System (ADS)

    Gülseven Sıdır, Yadigar; Sıdır, İsa

    2013-02-01

    The ground state (μg) and excited state (μe) dipole moments of 7-acetoxy-6-(2,3-dibromopropyl)-4,8-dimethylcoumarin (abbreviated as 7ADDC) are estimated from solvatochromic shifts of absorption and fluorescence spectra as a function of the dielectric constant (ɛ) and refractive index (n). While the ground state dipole moment is determined by using Bilot-Kawski method, the excited state dipole moment is calculated by using Bilot-Kawski, Lippert-Mataga, Bakhshiev, Kawski-Chamma-Viallet and Reichardt correlation methods. Excited state dipole moment is observed as larger than the ground state dipole moment due to substantial π-electron density redistribution. The ground state and excited state dipole moments are observed as parallel to each other with angle of 0°. Solute-solvent interactions are analyzed by means of linear solvation free energy relationships (LSER) using dielectric constant function (f(ɛ)), refractive index function (f(n)) and Kamlet-Taft parameters (α and β). Atomic charges, electron densities and molecular orbitals are calculated in vacuum and with solvent effect by using both DFT and TDDFT methods. Solvent accessible surface, molecular electrostatic potential (MEP) and electrostatic potential (ESP) are visualized as a result of DFT calculations.

  9. Silver infiltrated La 0.6Sr 0.4Co 0.2Fe 0.8O 3 cathodes for intermediate temperature solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Sakito, Y.; Hirano, A.; Imanishi, N.; Takeda, Y.; Yamamoto, O.; Liu, Y.

    Porous La 0.6Sr 0.4Co 0.2Fe 0.8O 3 (LSCF) electrodes on anode support cells were infiltrated with AgNO 3 solutions in citric acid and ethylene glycol. Two types of solid oxide fuel cells with the LSCF-Ag cathode, Ni-YSZ/YSZ/LSCF-Ag and Ni-Ce 0.9Gd 0.1O 1.95(GDC)/GDC/LSCF-Ag, were examined in a temperature range 530-730 °C under air oxidant and moist hydrogen fuel. The infiltration of about 18 wt.% Ag fine particles into LSCF resulted in the enhancement of the power density of about 50%. The maximum power density of Ni-YSZ/YSZ/LSCF was enhanced from 0.16 W cm -2 to 0.25 W cm -2 at 630 °C by infiltration of AgNO 3. No significant degradation of out-put power was observed for 150 h at 0.7 V and 700 °C. The Ni-GDC/GDC/LSCF-Ag cell showed the maximum power density of 0.415 W cm -2 at 530 °C.

  10. REDSHIFT 6.4 HOST GALAXIES OF 10{sup 8} SOLAR MASS BLACK HOLES: LOW STAR FORMATION RATE AND DYNAMICAL MASS

    SciTech Connect

    Willott, Chris J.; Omont, Alain; Bergeron, Jacqueline

    2013-06-10

    We present Atacama Large Millimeter Array observations of rest-frame far-infrared continuum and [C II] line emission in two z = 6.4 quasars with black hole masses of Almost-Equal-To 10{sup 8} M{sub Sun }. CFHQS J0210-0456 is detected in the continuum with a 1.2 mm flux of 120 {+-} 35 {mu}Jy, whereas CFHQS J2329-0301 is undetected at a similar noise level. J2329-0301 has a star formation rate limit of <40 M{sub Sun} yr{sup -1}, considerably below the typical value at all redshifts for this bolometric luminosity. Through comparison with hydro simulations, we speculate that this quasar is observed at a relatively rare phase where quasar feedback has effectively shut down star formation in the host galaxy. [C II] emission is also detected only in J0210-0456. The ratio of [C II] to far-infrared luminosity is similar to that of low-redshift galaxies of comparable luminosity, suggesting that the previous finding of an offset in the relationships between this ratio and far-infrared luminosity at low and high redshifts may be partially due to a selection effect due to the limited sensitivity of previous continuum data. The [C II] line of J0210-0456 is relatively narrow (FWHM = 189 {+-} 18 km s{sup -1}), indicating a dynamical mass substantially lower than expected from the local black hole-velocity dispersion correlation. The [C II] line is marginally resolved at 0.''7 resolution with the blue and red wings spatially offset by 0.''5 (3 kpc) and a smooth velocity gradient of 100 km s{sup -1} across a scale of 6 kpc, possibly due to the rotation of a galaxy-wide disk. These observations are consistent with the idea that stellar mass growth lags black hole accretion for quasars at this epoch with respect to more recent times.

  11. 6a-Nitro-6-phenyl-6,6a,6b,7,8,9,10,12a-octa­hydro­spiro­[chromeno[3,4-a]indol­izine-12,3′-indolin]-2′-one

    PubMed Central

    Devi, Seenivasan Karthiga; Srinivasan, Thothadri; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan

    2013-01-01

    In the title compound, C28H25N3O4, the central pyrrolidine ring adopts adopts an envelope conformation with the N atom as the flap and the piperidine ring adopts a chair conformation. The pendant pyrrolidine ring is almost planar (r.m.s. deviation = 0.008 Å). An intra­molecular C—H⋯O inter­action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(8) loops. PMID:23795144

  12. Optical and scintillation properties of Ce:(Gd8AE2)(SiO4)6O2 (AE = Mg, Ca, Sr and Ba) crystals

    NASA Astrophysics Data System (ADS)

    Igashira, Takuya; Mori, Masaki; Okada, Go; Kawaguchi, Noriaki; Yanagida, Takayuki

    2017-02-01

    1% Ce-doped and non-doped (Gd8AE2)(SiO4)6O2 (AE = Mg, Ca, Sr and Ba) (denoted as GMS, GCS, GSrS and GBS, respectively) single crystals were grown by the Floating Zone (FZ) method to evaluate their optical and scintillation properties. The Ce:GCS and Ce:GSrS samples exhibited scintillation and photoluminescence (PL) around 400 nm due to the 5d-4f transitions of Ce3+. On the other hand, Ce:GMS and Ce:GBS showed much weaker emissions in the wavelength range of 500-650 nm, in which the origin was associated with the host matrices. The PL decay curves were approximated by a double exponential decay function for all the Ce-doped samples. The decay times ranged around 10-30 and 40-90 ns, and faster components coincided with those of the non-doped samples. The scintillation decay curves of Ce-doped samples, on the other hand, were approximated by single exponential functions with slower decay constants than those of PL decay. These constants were very similar to those of non-doped samples. In the X-ray induced afterglow measurements, Ce:GCS exhibited the lowest afterglow level. The pulse height spectrum of these samples showed a full-energy peak under 241Am 5.5 MeV α-ray irradiation. Among these samples, Ce:GSrS exhibited the highest light yield which was around 600 ph/5.5 MeV-α.

  13. ZnBr2-Mediated oxidative spiro-bromocyclization of propiolamide for the synthesis of 3-bromo-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

    PubMed

    He, Yicheng; Qiu, Guanyinsheng

    2017-04-05

    ZnBr2-Mediated oxidative spiro-bromocyclization of N-arylpropiolamide has been described herein for the synthesis of 3-bromo-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione with high efficiency. One equivalent of water was introduced into the final product. The reaction efficiently proceeded at room temperature, and an excellent tolerance of functional groups was demonstrated. Under standard conditions, 3-bromo-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione and 3-bromo-1-azaspiro[4.5]deca-3,6,9-trien-8-one were synthesized.

  14. TLR4-MyD88-TRAF6-TAK1 Complex-Mediated NF-κB Activation Contribute to the Anti-Inflammatory Effect of V8 in LPS-Induced Human Cervical Cancer SiHa Cells.

    PubMed

    He, Aiqin; Ji, Rui; Shao, Jia; He, Chenyun; Jin, Ming; Xu, Yunzhao

    2016-02-01

    The synthetic compound 7-4-[Bis-(2-hydroxyethyl)-amino]-butoxy-5-hydroxy-8-methoxy-2-phenylchromen-4-one (V8) is a novel flavonoid-derived compound. In this study, we investigated the effects of V8 on Toll-like receptor 4 (TLR4)-mediated inflammatory reaction in human cervical cancer SiHa cells and lipopolysaccharide (LPS)-induced TLR4 activity in cervical cancer SiHa (HPV16+) cells, but not in HeLa (HPV18+) and C33A (HPV-) cells. In addition, V8 inhibited LPS-induced expression of TLR4, MyD88, TRAF6 and phosphorylation of TAK1, and their interaction with TLR4 in SiHa cells, resulting in an inhibition of TLR4-MyD88-TRAF6-TAK1 complex. Moreover, V8 blocked LPS-induced phosphorylation of IκB and IKK, resulting in inhibition of the nuclear translocation of P65-NF-κB in SiHa cells. We also found that V8 reduced the expression of NF-κB target genes, such as those for COX-2, iNOS, IL-6, IL-8, CCL-2, and TNF-α in LPS-stimulated SiHa cells. These results suggested that V8 exerted an anti-inflammatory effect on SiHa cells by inhibiting the TLR4-MyD88-TRAF6-TAK1 complex-mediated NF-κB activation.

  15. Heat of Mixing and Solution of Cyclohexa-1,3-diene C6H8 + C10H18 Bicyclo[4.4.0]decane (HMSD1111, LB4030_H)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Heat of Mixing and Solution of Cyclohexa-1,3-diene C6H8 + C10H18 Bicyclo[4.4.0]decane (HMSD1111, LB4030_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  16. Volumetric Properties of the Mixture Cyclohexa-1,3-diene C6H8 + C10H18 Bicyclo[4.4.0]decane (VMSD1211, LB3958_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Cyclohexa-1,3-diene C6H8 + C10H18 Bicyclo[4.4.0]decane (VMSD1211, LB3958_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  17. Effect of chemical ordering on the crystallization behavior of Se90Te10-xSnx (x=2, 4, 6, and 8) chalcogenide glasses

    NASA Astrophysics Data System (ADS)

    Lafi, Omar A.; Imran, Mousa M. A.; Abu-Shaweesh, Nazem I.; Al-Kurdi, Fares M.; Khatatbeh, Ibtehaj K.

    2014-06-01

    Ternary Se90Te10-xSnx (x=2, 4, 6, and 8) chalcogenide glassy alloys have been prepared by melt quenching technique. Various crystallization parameters, such as onset (Tc) and peak (Tp) crystallization temperatures, activation energy of crystallization (Ec) and Avrami exponent (n) have been determined for these alloys. Tc and Tp have been determined directly from the non-isothermal differential scanning calorimeter (DSC) thermograms. The value of Ec has been calculated from the variation of both Tc and Tp with the heating rate (β) according to Kissinger, Takhor, Augis-Bennett and Ozawa models while Augis-Bennett method has been used to deduce the value of n for the studied samples. The obtained values of the crystallization parameters have been correlated with the character and the energy of the chemical bonds through the calculation of the heteronuclear bond energies of the constituent atoms using Pauling principle. In addition to that, Tichy-Ticha model was used to estimate the mean bond energy of the average cross-linking per atom , the average bond energy per atom of the remaining matrix , and the overall mean bond energy of the studied glasses. Results reveal that both of Tc and Tp decreases with increases Sn content. This is may be attributed to the decreasing in the overall mean bond energy . Besides, the plot of Ec (and also Tg) against was found to be non linear, which contradicts the well known linear correlation between Ec and Tg with as suggested by Tichy-Ticha model. This discrepancy may be due to the fact that the Tichy-Ticha linear correlation model was based on the assumption of covalent glassy network, while in the present glassy alloys, Se-Te binary doped with heavy elements such as Sn exhibit iono-covalent bonding. The calculated values of the ionicity are in support of this argument.

  18. Characterization of collision cascade damage in Ca{sub 2}La{sub 8}(SiO{sub 4}){sub 6}O{sub 2} by HRTEM

    SciTech Connect

    Weber, W.J.; Wang, L.M.

    1994-12-01

    Ca{sub 2}La{sub 8}(SiO{sub 4}){sub 6}O{sub 2} thin crystals become amorphous under ion beam irradiation. The ion dose required for complete amorphization of the thin crystal (critical amorphization dose, D{sub c}) increased with the increasing irradiation temperature and decreased with ion mass at elevated temperatures. Samples irradiated with 1-1.5 MeV Ar{sup +}, Kr{sup +} and Xe{sup +} ions to doses much lower than Dc, in the temperature range from 20 to 498 K were used for a detailed HRTEM study to better understand the amorphization process. The residual collision cascade damage after irradiation appeared as manometer scale amorphous domains. The images of these domains are extremely sensitive to the sample thickness. Small domains of cascade size were only found at the very thin edge of the sample. In thicker regions, amorphous domains appear after higher doses as the result of cascade overlap in projection. At higher temperatures, the observed amorphous domains are smaller indicating thermal recovery at the amorphous/crystalline interface. The amorphous domains are also larger in size after irradiation with ions of higher mass at a fixed ion dose. These results are consistent with the Dc-temperature curves determined by in situ TEM with the HVEM-Tandem Facility at Argonne National Laboratory. The width of the amorphous rim along the edge of the specimen grew with increasing ion dose suggesting that amorphization also proceeds from the sample surface. Images of the collision cascade damage were compared to the cascade sizes calculated with the TRIM code. Some digitally acquired HRTEM images of the cascade damage were processed to reveal more detailed information.

  19. Design and synthesis of 2-phenyl-1,4-dioxa-spiro[4.5]deca-6,9-dien-8-ones as potential anticancer agents starting from cytotoxic spiromamakone A.

    PubMed

    Fuse, Shinichiro; Inaba, Kennichi; Takagi, Motoki; Tanaka, Masahiro; Hirokawa, Takatsugu; Johmoto, Kohei; Uekusa, Hidehiro; Shin-Ya, Kazuo; Takahashi, Takashi; Doi, Takayuki

    2013-08-01

    The spirocycle is a key structure found in many bioactive compounds. From the cytotoxic and spirocyclic natural product, spiromamakone A (1) and its analogues, a more synthetically accessible spiroacetal template 4 was designed based on structural similarity analysis. A total of 50 compounds were rapidly synthesized in only one or two synthetic steps from the starting compound, and their cytotoxicity was evaluated. As a result, (±)-(2R*,5R*)-2-(4-iodophenyl)-7-chloro-1,4-dioxa-spiro[4.5]deca-6,9-dien-8-one (7d-II) was discovered and found to be fifteen-fold more cytotoxic than 1. The easily accessible spiroacetal 7d-II appeared to act in a manner similar to the highly oxidized natural product, spiromamakone A (1).

  20. Synthesis, characterisation and antimicrobial activity of copper(II) and manganese(II) complexes of coumarin-6,7-dioxyacetic acid (cdoaH2) and 4-methylcoumarin-6,7-dioxyacetic acid (4-MecdoaH2): X-ray crystal structures of [Cu(cdoa)(phen)2].8.8H(2)O and [Cu(4-Mecdoa)(phen)2].13H2O (phen=1,10-phenanthroline).

    PubMed

    Creaven, Bernadette S; Egan, Denise A; Karcz, Dariusz; Kavanagh, Kevin; McCann, Malachy; Mahon, Mary; Noble, Andy; Thati, Bhumika; Walsh, Maureen

    2007-08-01

    Two novel coumarin-based ligands, coumarin-6,7-dioxyacetic acid (1) (cdoaH(2)) and 4-methylcoumarin-6,7-dioxyacetic acid (2) (4-MecdoaH(2)), were reacted with copper(II) and manganese(II) salts to give [Cu(cdoa)(H(2)O)(2)].1.5H(2)O (3), [Cu(4-Mecdoa)(H(2)O)(2)] (4), [Mn(cdoa)(H(2)O)(2)] (5) and [Mn(4-Mecdoa)(H(2)O)(2)].0.5H(2)O (6). The metal complexes, 3-6, were characterised by elemental analysis, IR and UV-Vis spectroscopy, and magnetic susceptibility measurements and were assigned a polymeric structure. 1 and 2 react with Cu(II) in the presence of excess 1,10-phenanthroline (phen) giving [Cu(cdoa)(phen)(2)].8.8H(2)O (7) and [Cu(4-Mecdoa)(phen)(2)].13H(2)O (8), respectively. The X-ray crystal structures of 7 and 8 confirmed trigonal bipyramidal geometries, with the metals bonded to the four nitrogen atoms of the two chelating phen molecules and to a single carboxylate oxygen of the dicarboxylate ligand. The complexes were screened for their antimicrobial activity against a number of microbial species, including methicillin-resistant Staphylococcus aureus (MRSA), Escherichia coli and Candida albicans. The metal-free ligands 1 and 2 were active against all of the microbes. Complexes 3-6 demonstrated no significant activity whilst the phen adducts 7 and 8 were active against MRSA (MIC(80)=12.1microM), E. coli (MIC(80)=14.9microM) and Patonea agglumerans (MIC(80)=12.6microM). Complex 7 also demonstrated anti-Candida activity (MIC(80)=22microM) comparable to that of the commercially available antifungal agent ketoconazole (MIC(80)=25microM).

  1. Synthesis and Structure of a New Layered Zincophosphate Zn 6(PO 4) 5(HPO 4)·C 8N 5H 28·5H 2O, Intercalated with Quintuply Protonated Tetraethylenepentamine

    NASA Astrophysics Data System (ADS)

    Liu, Yunling; Liu, Wang; Xing, Yan; Shi, Zhan; Fu, Yunlong; Pang, Wenqin

    2002-07-01

    A new two-dimensional zinc phosphate Zn6(PO4)5(HPO4)·C8N5H28·5H2O has been synthesized hydrothermally using tetraethylenepentamine (TEPA) as structure-directing agent and its structure was determined by means of single-crystal X-ray diffraction. The title compound crystallizes in the orthorhombic system, space group Pca21 (No.29) with lattice parameters a=18.6286(12) Å, b=8.0804(5) Å, c=22.5019(15) Å, V= 3387.1(4) Å3, Z=4, R1=0.0389 and wR2=0.0862 [4042 observed reflections with I>2σ(I)]. The structure involves a network of ZnO4, PO4, and PO3(OH) tetrahedra forming macroanionic inorganic layers with eight-membered apertures. The charge compensation is achieved by the quintuply protonated TEPA molecule in interlamellar space, which interact with the inorganic layers via hydrogen bonding.

  2. RDamage 6, 7, 8 & 9 Cassettes

    SciTech Connect

    Griego, Jeffrey R; Kaul, Ann

    2012-06-08

    The RDamage series of ten experiments is part of a long-term collaboration with RFNC/VNIIEF in pulsed power technology. These experiments use a cylindrical configuration to study spallation damage, which allows for a natural recollection of the damaged material under proper driving conditions and post-shot collection of the damaged target material for subsequent metallographic analysis. Dynamic insitu experimental velocimetry diagnostics are also employed. LANL is responsible for the design of the experimental load and velocimetry system. VNIIEF is responsible for the design and construction of the driving explosive magnetic generator. In the RDamage-0, -1 and -2 experiments, data was collected about failure initiation of a well-characterized material (aluminum) in a cylindrical geometry. The RDamage-3, -4 and -5 experiments produced data on the behavior of material recollected after damage from pressures in the damage initiation regime. Data on the behavior of material recollected after complete failure was collected in the RDamage-6, -7, -8 and -9 experiments. This presentation shows the evolution of the load assembly through the experimental series.

  3. 27 CFR 8.6 - Administrative provisions.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Administrative provisions..., DEPARTMENT OF THE TREASURY LIQUORS EXCLUSIVE OUTLETS Scope of Regulations § 8.6 Administrative provisions. (a) General. The Act makes applicable the provisions including penalties of sections 49 and 50 of Title...

  4. Synthesis and structural study of 4-(2-chlorophenyl)-2-ethoxy-5,6,7,8,9,10-hexahydrocycloocta[B]pyridine-3-carbonitrile

    NASA Astrophysics Data System (ADS)

    Fathima, K. Saiadali; Vasumathi, M.; Anitha, K.

    2016-05-01

    The novel organic material C20H21ClN2O was synthesized by One-Pot synthesis method and the single crystals were grown by slow evaporation solution growth technique. The crystal structure was elucidated by subjecting the grown crystals to the single crystal x-ray diffraction analysis and was refined by full matrix least-squares method to R=0.039 for 2746 reflections. Crystal system of the grown crystal was found to be monoclinic with the space group P21/a and a=9.196(4) Å, b=13.449(4) Å, c=14.818(4) Å, β= 101.542(3)°, V=1795.6(11) Å3 and Z=4. In this crystal structure, cyclooctanone prefers to reside in a chair-boat conformation. The structure is stabilized by attractive molecular force such as CH/π interaction called hydrophobic interaction.

  5. Bis(. eta. sup 5 -tricyclo(5. 2. 1. 0 sup 2,6 )deca-2,5,8-trien-4-yl) derivatives of the group IV transition metals

    SciTech Connect

    Bhide, V.V.; Rinaldi, P.L.; Farona, M.F. )

    1990-01-01

    Metallocene dichloride derivatives of titanium, zirconium, and hafnium were prepared from tricyclo(5.2.1.0{sup 2,6})deca-2,5,8-triene and the corresponding metal tetrachlorides. These compounds were characterized as existing primarily in the endo,endo and exo,endo forms by two-dimensional {sup 1}H NMR studies. These results were unexpected, in that theory predicts primarily exo,exo isomers should be preferred. A study on bis(isodicyclopentadienyl)titanium dichloride revealed the compound to exist in two major isomeric forms: exo,endo and exo,exo.

  6. Chiral resolution and pharmacological characterization of the enantiomers of the Hsp90 inhibitor 2-amino-7-[4-fluoro-2-(3-pyridyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one oxime.

    PubMed

    Amici, Raffaella; Bigogno, Chiara; Boggio, Roberto; Colombo, Andrea; Courtney, Stephen M; Dal Zuffo, Roberto; Dondio, Giulio; Fusar, Fulvia; Gagliardi, Stefania; Minucci, Saverio; Molteni, Marco; Montalbetti, Christian A G N; Mortoni, Annalisa; Varasi, Mario; Vultaggio, Stefania; Mercurio, Ciro

    2014-07-01

    Heat-shock protein 90 (Hsp90) is a molecular chaperone involved in the stabilization of key oncogenic signaling proteins, and therefore, inhibition of Hsp90 represents a new strategy in cancer therapy. 2-Amino-7-[4-fluoro-2-(3-pyridyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one oxime is a racemic Hsp90 inhibitor that targets the N-terminal adenosine triphosphatase site. We developed a method to resolve the enantiomers and evaluated their inhibitory activity on Hsp90 and the consequent antitumor effects. The (S) stereoisomer emerged as a potent Hsp90 inhibitor in biochemical and cellular assays. In addition, this enantiomer exhibited high oral bioavailability in mice and excellent antitumor activity in two different human cancer xenograft models.

  7. Corrosion inhibition of mild steel in 1M HCl by D-glucose derivatives of dihydropyrido [2,3-d:6,5-d′] dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone

    PubMed Central

    Verma, Chandrabhan; Quraishi, M. A.; Kluza, K.; Makowska-Janusik, M.; Olasunkanmi, Lukman O.; Ebenso, Eno E.

    2017-01-01

    D-glucose derivatives of dihydropyrido-[2,3-d:6,5-d′]-dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone (GPHs) have been synthesized and investigated as corrosion inhibitors for mild steel in 1M HCl solution using gravimetric, electrochemical, surface, quantum chemical calculations and Monte Carlo simulations methods. The order of inhibition efficiencies is GPH-3 > GPH-2 > GPH-1. The results further showed that the inhibitor molecules with electron releasing (-OH, -OCH3) substituents exhibit higher efficiency than the parent molecule without any substituents. Polarization study suggests that the studied compounds are mixed-type but exhibited predominantly cathodic inhibitive effect. The adsorption of these compounds on mild steel surface obeyed the Langmuir adsorption isotherm. SEM, EDX and AFM analyses were used to confirm the inhibitive actions of the molecules on mild steel surface. Quantum chemical (QC) calculations and Monte Carlo (MC) simulations studies were undertaken to further corroborate the experimental results. PMID:28317849

  8. Corrosion inhibition of mild steel in 1M HCl by D-glucose derivatives of dihydropyrido [2,3-d:6,5-d‧] dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone

    NASA Astrophysics Data System (ADS)

    Verma, Chandrabhan; Quraishi, M. A.; Kluza, K.; Makowska-Janusik, M.; Olasunkanmi, Lukman O.; Ebenso, Eno E.

    2017-03-01

    D-glucose derivatives of dihydropyrido-[2,3-d:6,5-d‧]-dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone (GPHs) have been synthesized and investigated as corrosion inhibitors for mild steel in 1M HCl solution using gravimetric, electrochemical, surface, quantum chemical calculations and Monte Carlo simulations methods. The order of inhibition efficiencies is GPH-3 > GPH-2 > GPH-1. The results further showed that the inhibitor molecules with electron releasing (-OH, -OCH3) substituents exhibit higher efficiency than the parent molecule without any substituents. Polarization study suggests that the studied compounds are mixed-type but exhibited predominantly cathodic inhibitive effect. The adsorption of these compounds on mild steel surface obeyed the Langmuir adsorption isotherm. SEM, EDX and AFM analyses were used to confirm the inhibitive actions of the molecules on mild steel surface. Quantum chemical (QC) calculations and Monte Carlo (MC) simulations studies were undertaken to further corroborate the experimental results.

  9. A comparative study of the redox and excited state properties of (nBu4N)2[Mo6X14] and (nBu4N)2[Mo6X8(CF3COO)6] (X = Cl, Br, or I).

    PubMed

    Kirakci, Kaplan; Kubát, Pavel; Langmaier, Jan; Polívka, Tomáš; Fuciman, Marcel; Fejfarová, Karla; Lang, Kamil

    2013-05-21

    The excited-state dynamics, luminescence, and redox properties of a series of hexanuclear molybdenum cluster complexes, (nBu4N)2[Mo6X14] and (nBu4N)2[Mo6X8(CF3COO)6] (X = Cl, Br, or I), were investigated. Substitution of the apical halogen ligands for the trifluoroacetate ligands increased the oxidation potentials and induced a blue shift in the absorption and luminescence bands as well as a considerable increase in the luminescence quantum yields for heavy inner ligands. Time-resolved transient absorption measurements showed that the intersystem crossing from the excited singlet states is ultrafast with time constants ranging between <120 fs and 1.68 ps and leads to hot triplet states. The following cooling occurred at a ps time scale and was assigned to electronic redistribution within the emissive triplet state sublevels. The formation of singlet oxygen, O2((1)Δg), suggested earlier on the basis of photooxidation experiments for some complexes, was revised by direct measurements of O2((1)Δg) phosphorescence. We showed the effects of the attached ligands on key physico-chemical and photophysical parameters of the title complexes. The synthesis and structural characterisation of a new cluster complex, (nBu4N)2[Mo6Br8(CF3COO)6], completed the series. Our results demonstrated that the complexes with heavy inner ligands (Br, I) and apical trifluoroacetate ligands were photochemically and electrochemically stable, highly luminescent, and good sensitisers of O2((1)Δg).

  10. Study of Geomagnetic Anomalies Related to Earthquakes at Pisco Peru 2007 (M=8.0) and at Taiwan 2009 (M= 6.4) (Invited)

    NASA Astrophysics Data System (ADS)

    Yumoto, K.; Takla, E.; Ishitsuka, J.; Rosales, D.; Dutra, S. L.; Liu, J. G.; Kakinami, Y.; Uozumi, T.; Abe, S.

    2010-12-01

    The Space Environment Research Center (SERC), Kyushu University deployed the MAGnetic Data Acqusition System (MAGDAS) at 53 stations along the 210- and 96-degree magnetic meridians (MM) and the magnetic Dip equator, and three FM-CW radars along the 210-degree MM during the International Heliophysical Year (IHY) period of 2005-2009 (see http://magdas.serc.kyushu-u.ac.jp/ and http://magdas2.serc.kyushu-u.ac.jp/). By analyzing these new MAGDAS data, we can perform a real-time monitoring for understanding the plasma and electromagnetic environment changes in geospace and lithosphere. In the present paper, we will introduce geomagnetic anomalies associated with larger earthquakes (EQs), observed at the MAGDAS stations. The first event is the Pisco earthquake (M=8.0) on August 15, 2007, which was the largest shallow earthquake and affected the coastal area south of Lima for 250 years. This occurred at the boundary between the Nazca and South American tectonic plates. Geomagnetic data from the MAGDAS Ancon (ANC; about 180 km from the epicenter), the INTERMAGNET Huancayo (HUA;about 190 km from the epicenter) and the MAGDAS Eusebio (EUS; about 39°east from ANC) stations were analyzed to clarify if there is a relation between the geomagnetic variations and the tectonic activities at Peru during 2007. Our results indicate both long- (several months) and short-term (daily) anomalous geomagnetic variations (H and Z components) in relation with these seismic activities. In addition, there were anomalous signals of Pc 3 polarization (Z/H) a few months before the onset of seismic activities. The second event is the Taiwan earthquake of M=6.4 on the Richter scale, which occurred at depth ≈ 45 km, on 19th of December 2009. The epicenter was located about 20 Km away from our MAGDAS Hualien (HLN) station. The MAGDAS Amami-ohshima (AMA) station in Japan was used as a remote reference station. The geomagnetic components (H, D and Z) at the HLN station showed baseline fluctuations

  11. A σ(1) receptor pharmacophore derived from a series of N-substituted 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ols (AHDs).

    PubMed

    Banister, Samuel D; Manoli, Miral; Doddareddy, Munikumar Reddy; Hibbs, David E; Kassiou, Michael

    2012-10-01

    A library of N-substituted 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ols (AHDs) was synthesized and subjected to competition binding assays at σ(1) and σ(2) receptors, as well as off-target screening of representative members at 44 other common central nervous system (CNS) receptors, transporters, and ion channels. Excluding 3 low affinity analogs, 31 ligands demonstrated nanomolar K(i) values for either σ receptor subtype. Several selective σ(1) and σ(2) ligands were discovered, with selectivities of up to 29.6 times for σ(1) and 52.4 times for σ(2), as well as several high affinity, subtype non-selective ligands. The diversity of structures and σ(1) affinities of the ligands allowed the generation of a σ(1) receptor pharmacophore that will enable the rational design of increasingly selective and potent σ(1) ligands for probing σ(1) receptor function.

  12. Differential development of CD4 and CD8 cytotoxic T cells (CTL) in PBMC across the leprosy spectrum; IL-6 with IFN-gamma or IL-2 generate CTL in multibacillary patients.

    PubMed

    de la Barrera, S; Finiasz, D M; Fink, S; Valdez, R; Bottasso, O; Balina, L M; Sasiain, M C

    1997-03-01

    In the present study we evaluated the contribution of CD4 and CD8 T cells on the antigen-specific cytotoxic activity induced by whole Mycobacterium leprae in leprosy patients and normal controls (N) as well as the modulation of this activity by some cytokines. Peripheral blood mononuclear cells (PBMC) from N or from leprosy patients were stimulated with antigen in the presence or absence of cytokines for 7 days. M. leprae-stimulated PBMC were depleted of CD4 or CD8 antigen-bearing cells and employed as effector cells in a 4-hr [31Cr]-release assay against autologous M. leprae-pulsed macrophages. Our results demonstrate that both CD4 and CD8 T cells contribute to M. leprae-induced cytotoxic activity, with differences observed in paucibacillary (PB) and multibacillary (MB) patients. CD8-mediated cytotoxic activity is higher than that of CD4 cells in PB patients, while in MB patients CD4 cytotoxicity is predominant. Our data also demonstrate that the generation of CD4 and CD8 cytotoxic T lymphocytes (CTL) can be modulated differentially by interleukin-4 (IL-4), IL-6, gamma interferon (IFN-gamma), or IL-2. Although MB patients developed the lowest CTL response, cytokines such as IL-6 plus IL-2 or IFN-gamma were able to generate both CD4 and CD8 cytotoxic T cells from MB patients. In PB patients, IL-6 plus IFN-gamma displayed the highest stimulation on CD8 effector cells. Thus, an important role may be assigned to IL-6, together with IL-2 or IFN-gamma, in the differentiation of M. leprae-specific CTL effector cells.

  13. Design, synthesis, and evaluation of 2-diethanolamino-4,8-diheptamethyleneimino-2-(N-aminoethyl-N-ethanolamino)-6-(N,N-diethanolamino)pyrimido[5,4-d]pyrimidine-fluorescein conjugate (8MDP-fluor), as a novel equilibrative nucleoside transporter probe.

    PubMed

    Lin, Wenwei; Buolamwini, John K

    2011-06-15

    Nucleoside transporters are integral membrane glycoproteins that play critical roles in physiological nucleoside and nucleobase fluxes, and influence the efficacy of many nucleoside chemotherapy drugs. Fluorescent reporter ligands/substrates have been shown to be useful in the analysis of nucleoside transporter (NT) protein expression and discovery of new NT inhibitors. In this study, we have developed a novel dipyridamole (DP)-based equilibrative nucleoside transporter 1 (ENT1) fluorescent probe. The potent ENT1 and ENT2 inhibitor analogue of dipyridamole, 2,6-bis(diethanolamino)-4,8-diheptamethyleneiminopyrimido[5,4-d]pyrimidine (4, 8MDP), was modified to replace one β-hydroxyethyl group of the amino substituent at the 2-position with a β-aminoethyl group and then conjugated through the amino group to 6-(fluorescein-5-carboxamido)hexanoyl moiety to obtain a new fluorescent molecule, 2-diethanolamino-4,8-diheptamethyleneimino-2-(N-aminoethyl-N-ethanolamino)-6-(N,N-diethanolamino)pyrimido[5,4-d]pyrimidine-fluorescein conjugate, designated 8MDP-fluorescein (8MDP-fluor, 6). The binding affinities of 8MDP-fluor at ENT1 and ENT2 are reflected by the uridine uptake inhibitory K(i) values of 52.1 nM and 285 nM, respectively. 8MDP-fluor was successfully demonstrated to be a flow cytometric probe for ENT1 comparable to the nitrobenzylmercaptopurine riboside (NBMPR) analogue ENT1 fluorescent probe SAENTA-X8-fluorescein (SAENTA-fluor, 1). This is the first reported dipyridamole-based ENT1 fluorescent probe, which adds a novel tool for probing ENT1, and possibly ENT2.

  14. 2-[6,8-Dibromo-3-(4-hydroxy­cyclo­hexyl)-1,2,3,4-tetra­hydro­quinazolin-2-yl]-6-methoxy­phenol

    PubMed Central

    Wang, Zhi-Gang; Wang, Rong; Zhang, Yi; Zhi, Feng; Yang, Yi-Lin

    2009-01-01

    The title compound, C21H24Br2N2O3, was synthesized by the condensation reaction of 3-methoxy­salicylaldehyde with 4-(2-amino-3,5-dibromo­benzyl­amino)cyclo­hexa­nol in a methanol solution. The dihedral angle between the two benzene rings is 76.4 (3)°. The cyclo­hexyl ring adopts a chair configuration. There is an intra­molecular O—H⋯N hydrogen bond which affects the solid state conformation of the mol­ecule. The crystal structure is stabilized by inter­molecular O—H⋯O hydrogen bonds, forming chains running along the b axis. PMID:21582209

  15. Biachellaite, (Na,Ca,K)8(Si6Al6O24)(SO4)2(OH)0.5 · H2O, a new mineral species of the cancrinite group

    NASA Astrophysics Data System (ADS)

    Chukanov, N. V.; Rastsvetaeva, R. K.; Pekov, I. V.; Zadov, A. E.; Allori, R.; Zubkova, N. V.; Giester, G.; Puscharovsky, D. Yu.; van, K. V.

    2009-12-01

    Biachellaite, a new mineral species of the cancrinite group, has been found in a volcanic ejecta in the Biachella Valley, Sacrofano Caldera, Latium region, Italy, as colorless isometric hexagonal bipyramidal-pinacoidal crystals up to 1 cm in size overgrowing the walls of cavities in a rock sample composed of sanidine, diopside, andradite, leucite and hauyne. The mineral is brittle, with perfect cleavage parallel to {10 bar 1 0} and imperfect cleavage or parting (?) parallel to {0001}. The Mohs hardness is 5. Dmeas = 2.51(1) g/cm3 (by equilibration with heavy liquids). The densities calculated from single-crystal X-ray data and from X-ray powder data are 2.515 g/cm3 and 2.520 g/cm3, respectively. The IR spectrum demonstrates the presence of SO{4/2-}, H2O, and absence of CO{3/2-}. Biachellaite is uniaxial, positive, ω = 1.512(1), ɛ = 1.514(1). The weight loss on ignition (vacuum, 800°C, 1 h) is 1.6(1)%. The chemical composition determined by electron microprobe is as follows, wt %: 10.06 Na2O, 5.85 K2O, 12.13 CaO, 26.17 Al2O3, 31.46 SiO2, 12.71 SO3, 0.45 Cl, 1.6 H2O (by TG data), -0.10 -O=Cl2, total is 100.33. The empirical formula ( Z = 15) is (Na3.76Ca2.50K1.44)Σ7.70(Si6.06Al5.94O24)(SO4)1.84Cl0.15(OH)0.43 · 0.81H2O. The simplified formula is as follows: (Na,Ca,K)8(Si6Al6O24)(SO4)2(OH)0.5 · H2O. Biachellaite is trigonal, space group P3, a =12.913(1), c = 79.605(5) Å; V = 11495(1) Å3. The crystal structure of biachellaite is characterized by the 30-layer stacking sequence ( ABCABCACACBACBACBCACBACBACBABC)∞. The tetrahedral framework contains three types of channels composed of cages of four varieties: cancrinite, sodalite, bystrite (losod) and liottite. The strongest lines of the X-ray powder diffraction pattern [ d, Å ( I, %) ( hkl)] are as follows: 11.07 (19) (100, 101), 6.45 (18) (110, 111), 3.720 (100) (2.1.10, 300, 301, 2.0.16, 302), 3.576 (18) (1.0.21, 2.0.17, 306), 3.300 (47) (1.0.23, 2.1.15), 3.220 (16) (2.1.16, 222). The type material of

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

    PubMed Central

    Nguyen, Van Tuyen; Sorokina, Elena A.; Listratova, Anna V.; Voskressensky, Leonid G.; Lobanov, Nikolai N.; Dorovatovskii, Pavel V.

    2017-01-01

    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. PMID:28316803

  17. (2R)-4-Oxo-4[3-(Trifluoromethyl)-5,6-diihydro:1,2,4}triazolo[4,3-a}pyrazin-7(8H)-y1]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes

    SciTech Connect

    Kim, D.; Wang, L.; Beconi, M.; Eiermann, G.; Fisher, M.; He, H.; Hickey, G.; Kowalchick, Jennifer; Leiting, Barbara; Lyons, K.; Marsilio, F.; McCann, F.; Patel, R.; Petrov, A.; Scapin, G.; Patel, S.; Roy, R.; Wu, J.; Wyvratt, M.; Zhang, B.; Zhu, L.; Thornberry, N.; Weber, A.

    2010-11-10

    A novel series of {beta}-amino amides incorporating fused heterocycles, i.e., triazolopiperazines, were synthesized and evaluated as inhibitors of dipeptidyl peptidase IV (DPP-IV) for the treatment of type 2 diabetes. (2R)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (1) is a potent, orally active DPP-IV inhibitor (IC{sub 50} = 18 nM) with excellent selectivity over other proline-selective peptidases, oral bioavailability in preclinical species, and in vivo efficacy in animal models. MK-0431, the phosphate salt of compound 1, was selected for development as a potential new treatment for type 2 diabetes.

  18. The Colocalization Potential of HIV-Specific CD8+ and CD4+ T-Cells is Mediated by Integrin β7 but Not CCR6 and Regulated by Retinoic Acid

    PubMed Central

    Wacleche, Vanessa Sue; Chomont, Nicolas; Gosselin, Annie; Monteiro, Patricia; Goupil, Mathieu; Kared, Hassen; Tremblay, Cécile; Bernard, Nicole; Boulassel, Mohamed-Rachid; Routy, Jean-Pierre; Ancuta, Petronela

    2012-01-01

    CD4+ T-cells from gut-associated lymphoid tissues (GALT) are major targets for HIV-1 infection. Recruitment of excess effector CD8+ T-cells in the proximity of target cells is critical for the control of viral replication. Here, we investigated the colocalization potential of HIV-specific CD8+ and CD4+ T-cells into the GALT and explored the role of retinoic acid (RA) in regulating this process in a cohort of HIV-infected subjects with slow disease progression. The expression of the gut-homing molecules integrin β7, CCR6, and CXCR3 was identified as a “signature” for HIV-specific but not CMV-specific CD4+ T-cells thus providing a new explanation for their enhanced permissiveness to infection in vivo. HIV-specific CD8+ T-cells also expressed high levels of integrin β7 and CXCR3; however CCR6 was detected at superior levels on HIV-specific CD4+ versus CD8+ T-cells. All trans RA (ATRA) upregulated the expression of integrin β7 but not CCR6 on HIV-specific T-cells. Together, these results suggest that HIV-specific CD8+ T-cells may colocalize in excess with CD4+ T-cells into the GALT via integrin β7 and CXCR3, but not via CCR6. Considering our previous findings that CCR6+CD4+ T-cells are major cellular targets for HIV-DNA integration in vivo, a limited ability of CD8+ T-cells to migrate in the vicinity of CCR6+CD4+ T-cells may facilitate HIV replication and dissemination at mucosal sites. PMID:22470433

  19. 7,7-Dimethyl-2-methyl­amino-4-(4-methyl­phenyl)-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one

    PubMed Central

    Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Perumal, Paramasivam T.

    2014-01-01

    In the title compound, C19H22N2O4, the six-membered cyclo­hexenone ring of the chromene unit adopts an envelope conformation, with the dimethyl-substituted C atom as the flap, while the pyran ring has a boat conformation. These two mean planes are inclined to one another by 6.65 (13)°·The benzene ring is normal to the 4H-chromene moiety mean plane, making a dihedral angle of 89.18 (5)°. The methyl­amine and nitro groups are slightly twisted from the chromene moiety mean plane, with torsion angles C—N—C—O = 1.70 (18) and O—N—C—C = 0.15 (18)°. The mol­ecular structure is characterized by an intra­molecular N—H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol­ecules are linked via pairs of weak C—H⋯O hydrogen bonds, forming inversion dimers. These dimers are connected by further C—H⋯O hydrogen bonds, forming sheets lying parallel to (10-1). PMID:24940281

  20. Spectroscopic and structural characterization of the charge-transfer interaction of N,N'-bis-alkyl derivatives of 1,4,6,8-naphthalenediimide with chloranilic and picric acids

    NASA Astrophysics Data System (ADS)

    Refat, Moamen S.; Ahmed, Hamdy A.; Grabchev, Ivo; El-Zayat, Lamia A.

    2008-09-01

    Charge-transfer (CT) complexes formed from the reactions of two N,N'-bis-alkyl derivatives of 1,4,6,8-naphthalenediimide such as N, N'-bis[2-hydroxyethyl)]-1,4,6,8-naphthalenediimide (BHENDI) and N, N'-bis-[2- N, N-dimethylaminoethyl)]-1,4,6,8-naphthalenediimide (BDMAENDI) with chloranilic acid (CLA) and piciric acid (PA) as π-acceptors, have been studied spectrophotometrically in methanol and chloroform, respectively at 25 °C. The photometric titration curves for the reactions indicated that the data obtained refer to 1:1 charge-transfer complexes of [(BHENDI)(CLA)], [(BDMAENDI)(CLA)], [(BHENDI)(PA)] and [(BDMAENDI)(PA)] were formed. Benesi-Hildebrand and its modification methods were applied to the determination of association constant ( K), molar extinction coefficient ( ɛ). The solid CT complexes have been synthesized and characterization by different spectral methods.

  1. 14-Meth­oxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-di­aza­tetra­cyclo­[8.8.0.02,7.013,18]octa­deca-2(7),13,15,17-tetra­ene-3,5,11-trione

    PubMed Central

    Jagadeesan, G; Jayashree, S.; Kannan, D.; Bakthadoss, M.; Aravindhan, S.

    2013-01-01

    The title compound, C23H20N2O6, crystallizes with two mol­ecules in the asymmetric unit in which the dihedral angles between the mean planes of the pyran and phenyl rings are 66.6 (1) and 61.9 (1) °. The fused pyrone and pyran rings each adopts a sofa conformation. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules, forming a two-dimensional network parallel to [001]. PMID:24109298

  2. Non-additive hepatic gene expression elicited by 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and 2,2',4,4',5,5'-hexachlorobiphenyl (PCB153) co-treatment in C57BL/6 mice

    SciTech Connect

    Kopec, Anna K.; D'Souza, Michelle L.; Mets, Bryan D.; Burgoon, Lyle D.; Reese, Sarah E.; Archer, Kellie J.; Potter, Dave; Tashiro, Colleen; Sharratt, Bonnie; Harkema, Jack R.; Zacharewski, Timothy R.

    2011-10-15

    Interactions between environmental contaminants can lead to non-additive effects that may affect the toxicity and risk assessment of a mixture. Comprehensive time course and dose-response studies with 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), non-dioxin-like 2,2',4,4',5,5'-hexachlorobiphenyl (PCB153) and their mixture were performed in immature, ovariectomized C57BL/6 mice. Mice were gavaged once with 30 {mu}g/kg TCDD, 300 mg/kg PCB153, a mixture of 30 {mu}g/kg TCDD with 300 mg/kg PCB153 (MIX) or sesame oil vehicle for 4,12, 24,72 or 168 h. In the 24 h dose-response study, animals were gavaged with TCDD (0.3,1, 3, 6, 10, 15, 30, 45 {mu}g/kg), PCB153 (3,10, 30, 60, 100, 150, 300, 450 mg/kg), MIX (0.3 + 3, 1 + 10, 3 + 30, 6 + 60, 10 + 100, 15 + 150, 30 + 300, 45 {mu}g/kg TCDD + 450 mg/kg PCB153, respectively) or vehicle. All three treatments significantly increased relative liver weights (RLW), with MIX eliciting significantly greater increases compared to TCDD and PCB153 alone. Histologically, MIX induced hepatocellular hypertrophy, vacuolization, inflammation, hyperplasia and necrosis, a combination of TCDD and PCB153 responses. Complementary lipid analyses identified significant increases in hepatic triglycerides in MIX and TCDD samples, while PCB153 had no effect on lipids. Hepatic PCB153 levels were also significantly increased with TCDD co-treatment. Microarray analysis identified 167 TCDD, 185 PCB153 and 388 MIX unique differentially expressed genes. Statistical modeling of quantitative real-time PCR analysis of Pla2g12a, Serpinb6a, Nqo1, Srxn1, and Dysf verified non-additive expression following MIX treatment compared to TCDD and PCB153 alone. In summary, TCDD and PCB153 co-treatment elicited specific non-additive gene expression effects that are consistent with RLW increases, histopathology, and hepatic lipid accumulation. - Graphical abstract: Display Omitted Highlights: > MIX (TCDD:PCB153 at 1:10,000 ratio) exposure leads to non-additive gene expression

  3. Co0.6Zn0.4Cu0.2CdxFe1.8-xO4 (0.2 ⩽ x ⩽ 0.8) magnetic ferrite nano-particle: Synthesis, characterization and photo-catalytic degradation of methyl orange

    NASA Astrophysics Data System (ADS)

    Bhukal, Santosh; Bansal, S.; Singhal, Sonal

    2014-02-01

    Cd2+ ion substituted nano-crystalline cobalt-zinc ferrites having chemical formula Co0.6Zn0.4Cu0.2CdxFe1.8-xO4 (x = 0.2, 0.4, 0.6 and 0.8) have been prepared using sol-gel auto-combustion method. The X-ray diffraction analysis confirmed the crystalline structure and phase purity of all the prepared nano-ferrites. The lattice constant was found to vary linearly from 8.360 Å to 8.390 Å for cadmium ion concentration from 0.2 to 0.8 in accordance with Vegard's law. Ionic radii of tetrahedral site (rA) and octahedral site (rB) was found to increase with increase in the cadmium ion concentration because of larger size of Cd2+ ion (0.97 Å) as compared to that of Fe3+ ion (0.67 Å). Vibrating sample magnetometer (VSM) results revealed that the saturation magnetization, coercivity and anisotropy constant decrease with increase in the cadmium concentration. The distribution of cations among A and B sites of the lattice was estimated by the magnetic moments which were calculated from the magnetic data. Moreover resistivity was found to be decrease with increase in the cadmium concentration. There was increase in drift mobility with increase in temperature because of the enhanced mobility of charge carriers due to thermal activation. Co0.6Zn0.4Cu0.2CdxFe1.8-xO4 showed good catalytic activity towards methyl orange and easily recovered by magnetic separation after the reaction. The photo-catalytic degradation was enhanced as the concentration of cadmium ion increased from 0.2 to 0.8 may be due to decrease in band gap with increase in Cd2+ ion concentration.

  4. Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetra­aza­tri­cyclo[4.3.1.13,8]undecane (TATU) and 4-chloro-3,5-dimethyl­phenol

    PubMed Central

    Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael

    2016-01-01

    Solvent-free treatment of 1,3,6,8-tetra­aza­tri­cyclo­[4.3.1.13,8]undecano (TATU) with 4-chloro-3,5-di­methyl­phenol led to the formation of the title co-crystal, C7H14N4·2C8H9ClO. The asymmetric unit contains one aminal cage mol­ecule and two phenol mol­ecules linked via two O—H⋯N hydrogen bonds. In the aminal cage, the N–CH2–CH2–N unit is slightly distorted from a syn periplanar geometry. Aromatic π–π stacking between the benzene rings from two different neighbouring phenol mol­ecules [centroid–centroid distance = 4.0570 (11) Å] consolidates the crystal packing. PMID:27840729

  5. Pseudo Jahn-Teller distortion for a tricyclic carbon sulfide (C6S8) and its suppression in S-oxygenated dithiine (C4H4(SO2)2)

    NASA Astrophysics Data System (ADS)

    Pratik, Saied Md.; Chowdhury, Chandra; Bhattacharjee, Rameswar; Jahiruddin, Sk.; Datta, Ayan

    2015-10-01

    The tricyclic carbon-sulfide, C6S8 molecule containing two S-atoms in the 1,4-position of the central six-membered ring and one disulfide (Ssbnd S) and one thione (Cdbnd S) bond on the five membered rings on its either side (1) possesses a "butterfly flapping" type distorted ground state in the gas-phase and also in β-phase of the crystal. For the isolated molecule, better consideration of the S…S non-bonding interactions in the dithiine ring in the bent form at the M06-2X/6-31+G(d,p) level leads to a significant barrier for inversion of 2.4 kcal/mol which is 2-3 times more than that previously obtained by Weber and Dolg at the B3LYP/cc-pVTZ level due to underestimation of dispersion interactions at the B3LYP level. The origin of the distortion leading to lowering of symmetry for 1 (C2h → C2) is traced to vibronic mixing between the ground state (Ag) and the low lying excited states of Au symmetry through the au normal mode, a (1Ag + 1Au + 2Au + 3Au) × au pseudo Jahn-Teller effect (PJTE) problem. Based on fitting of the ground state APES to the lowest root of the 4 × 4 secular determinant, we calculate the linear vibronic coupling constants (F0i) between the relevant states. Similar in class to 1, the S-oxygenated derivative of dithiine, C4H4(SO2)2 (2) unlike most other dithiines, remains planar. The absence of the butterfly-type puckered structure in 2 is traced to the enhanced gap (Δ0) and very small vibronic coupling (F01) between the ground and PJT active state along the au distortion which suppress the PJT instability. Considering the separation of the occupied molecular orbital (OMO) and unoccupied molecular orbitals (UMO) energy levels provide a qualitative understanding for the contrasting behavior of 1 and 2. In effect, the PJT effect is shown to be a fruitful and general tool to describe the presence or lack of molecular distortion.

  6. Gas-phase chemical reactivity of CFC-114 and potential replacements. Part 4, Reactivity of c-C{sub 4}F{sub 8} with F{sub 2} and UF{sub 6}

    SciTech Connect

    Trowbridge, L.D.; Angel, E.C.

    1992-07-01

    The DOE gaseous diffusion plant complex makes extensive use of CFC-114 as a primary coolant. As this material is on the Montreal Protocol list of materials scheduled for production curtailment, a substitute must be found. In addition to physical cooling properties, the gaseous diffusion application imposes the unique requirement of chemical inertness to fluorinating agents. A series of studies has therefore been undertaken to evaluate the gas-phase chemical reactivity of potential alternate coolants. This report examines the reactivity of perfluorocyclobutane (C-C{sub 4}F{sub 8}) with UF{sub 6} and F{sub 2} at selected reference conditions (approximately 10 Torr partial pressure of each reactant at 150{degrees}C). At the reference conditions, a very slight degree of reactivity was observed with F{sub 2}, but much less than the observed reactivity of the reference coolant, CFC-114. No reaction was observed with UF{sub 6}. A limited number of experiments was conducted at higher temperature, providing a first estimate of the rate of increase of reaction rate with increased temperature.

  7. 4 CFR 22.8 - General Discovery Procedures [Rule 8].

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... discovery, and include provisions for protecting the secrecy of confidential information or documents. (e... 4 Accounts 1 2011-01-01 2011-01-01 false General Discovery Procedures . 22.8 Section 22.8 Accounts... OFFICE CONTRACT APPEALS BOARD § 22.8 General Discovery Procedures . (a) General policy and methods...

  8. 4 CFR 22.8 - General Discovery Procedures [Rule 8].

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... discovery, and include provisions for protecting the secrecy of confidential information or documents. (e... 4 Accounts 1 2013-01-01 2013-01-01 false General Discovery Procedures . 22.8 Section 22.8 Accounts... OFFICE CONTRACT APPEALS BOARD § 22.8 General Discovery Procedures . (a) General policy and methods...

  9. 4 CFR 22.8 - General Discovery Procedures [Rule 8].

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... discovery, and include provisions for protecting the secrecy of confidential information or documents. (e... 4 Accounts 1 2012-01-01 2012-01-01 false General Discovery Procedures . 22.8 Section 22.8 Accounts... OFFICE CONTRACT APPEALS BOARD § 22.8 General Discovery Procedures . (a) General policy and methods...

  10. 4 CFR 22.8 - General Discovery Procedures [Rule 8].

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... discovery, and include provisions for protecting the secrecy of confidential information or documents. (e... 4 Accounts 1 2014-01-01 2013-01-01 true General Discovery Procedures . 22.8 Section 22.8 Accounts... OFFICE CONTRACT APPEALS BOARD § 22.8 General Discovery Procedures . (a) General policy and methods...

  11. 4 CFR 22.8 - General Discovery Procedures [Rule 8].

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... OFFICE CONTRACT APPEALS BOARD § 22.8 General Discovery Procedures . (a) General policy and methods of discovery. The parties are encouraged to engage in voluntary discovery procedures and may obtain discovery... 4 Accounts 1 2010-01-01 2010-01-01 false General Discovery Procedures . 22.8 Section 22.8...

  12. MF498 [N-{[4-(5,9-Diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide], a selective E prostanoid receptor 4 antagonist, relieves joint inflammation and pain in rodent models of rheumatoid and osteoarthritis.

    PubMed

    Clark, Patsy; Rowland, Steven E; Denis, Danielle; Mathieu, Marie-Claude; Stocco, Rino; Poirier, Hugo; Burch, Jason; Han, Yongxin; Audoly, Laurent; Therien, Alex G; Xu, Daigen

    2008-05-01

    Previous evidence has implicated E prostanoid receptor 4 (EP4) in mechanical hyperalgesia induced by subplantar inflammation. However, its role in chronic arthritis remains to be further defined because previous attempts have generated two conflicting lines of evidence, with one showing a marked reduction of arthritis induced by a collagen antibody in mice lacking EP4, but not EP1-EP3, and the other showing no impact of EP4 antagonism on arthritis induced by collagen. Here, we assessed the effect of a novel and selective EP4 antagonist MF498 [N-{[4-(5,9-diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide] on inflammation in adjuvant-induced arthritis (AIA), a rat model for rheumatoid arthritis (RA), and joint pain in a guinea pig model of iodoacetate-induced osteoarthritis (OA). In the AIA model, MF498, but not the antagonist for EP1, MF266-1 [1-(5-{3-[2-(benzyloxy)-5-chlorophenyl]-2-thienyl}pyridin-3-yl)-2,2,2-trifluoroethane-1,1-diol] or EP3 MF266-3 [(2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[5-chloro-2-(2-naphthylmethyl)phenyl]acrylamide], inhibited inflammation, with a similar efficacy as a selective cyclooxygenase 2 (COX-2) inhibitor MF-tricyclic. In addition, MF498 was as effective as an nonsteroidal anti-inflammatory drug, diclofenac, or a selective microsomal prostaglandin E synthase-1 inhibitor, MF63 [2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile], in relieving OA-like pain in guinea pigs. When tested in rat models of gastrointestinal toxicity, the EP4 antagonist was well tolerated, causing no mucosal leakage or erosions. Lastly, we evaluated the renal effect of MF498 in a furosemide-induced diuresis model and demonstrated that the compound displayed a similar renal effect as MF-tricyclic [3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanone], reducing furosemide-induced natriuresis by approximately 50%. These results not only suggest that EP4 is the major EP

  13. High performance La2NiO4+δ-infiltrated (La0.6Sr0.4)0.995Co0.2Fe0.8O3-δ cathode for solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Zhang, Xinxin; Zhang, Hui; Liu, Xingbo

    2014-12-01

    In this paper, we reported our effort on improving electrochemical performance of (La0.6Sr0.4)0.995Co0.2Fe0.8O3-δ (LSCF) cathode in solid oxide fuel cell (SOFC) by infiltration of La2NiO4+δ (LNO). It is found that a porous LSCF backbone coated with LNO nanoparticles is an attractive way to acquire a noticeable decrease in the polarization resistance and activation energy of LSCF cathode, thereby showing high surface activity and enhanced oxygen transport capability. The key contributions of the LNO nanoparticles also lead to a 67% increase in peak power density and operation stability at a constant current density of 250 mA cm-2 with a low degradation rate of 0.39% for about 500 h at 750 °C. Although extended durability of LNO-infiltrated LSCF might be concerned, based on coarsening of the LNO nanoparticles, a greatly increased power density and voltage output after a cell operation of 500 h engenders substantial confidence in the beneficial effect of LNO-infiltrated LSCF materials on cell properties. The enhancement of ORR kinetics could be ascribed to the increase of active surface area and active reaction regions from the heterostructured LSCF/LNO interface architecture, and/or favorable cation diffusion from LSCF to LNO.

  14. Molecular and crystalline structure of cycloheptanespiro-3'(4'H)-6',7',8',9'-tetrahydrocyclohexa[b][1,4]thiazole-2'(5'H)-thione from powder synchrotron X-ray diffraction data.

    PubMed

    Avila, Edward E; Mora, Asiloé J; Delgado, Gerzon E; Contreras, Ricardo R; Fitch, Andrew N; Brunelli, Michela

    2008-04-01

    A series of bidentate nitrogen-sulfur pro-ligands has been designed and synthesized with the purpose of introducing a structural modification that favours the tetrahedral site distortions of metalloprotein systems with metallic centers surrounded by ligands containing two N atoms and two S atoms as donor groups. Some of these new pro-ligands were obtained only as powders. Here we present the molecular and crystalline structure of cycloheptanespiro-3'(4'H)-6',7',8',9'-tetrahydrocyclohexa[b][1,4]thiazole-2'(5'H)-thione (I) solved and refined from powder synchrotron X-ray diffraction data. Two independent molecules comprising a total of 36 non-H atoms were obtained from the direct-methods solution and refined against the powder X-ray diffraction data using the Rietveld method. The molecular conformations of the heterocyclic benzothiazine ring, the fused heptenyl ring and the heptanyl spiro ring are thoroughly discussed and compared with VASP theoretical calculations and other related structures. The packing of molecules in (I) is based on hydrogen bonds of the type N-H...S and hydrophobic C-H interactions.

  15. Bis(dimethyl-ammonium) 3,3'-dicarb-oxy-5,5'-(5,7,12,14-tetra-oxo-6,13-diaza-tetra-cyclo-[6.6.2.0(4,16).0(11,15)]hexa-deca-1,3,8,10,15-penta-ene-6,13-di-yl)dibenzoate dihydrate.

    PubMed

    Xu, Lan-Ping; Qin, Lan; Han, Lei

    2012-07-01

    The title compound, 2C(2)H(8)N(+)·C(30)H(12)N(2)O(12) (2-)·2H(2)O, comprises dimethyl-ammonium cations, 3,3'-dicarb-oxy-5,5'-(5,7,12,14-tetra-oxo-6,13-diaza-tetra-cyclo-[6.6.2.0(4,16).0(11,15)]hexa-deca-1,3,8,10,15-penta-ene-6,13-di-yl)dibenzoate dianions and water mol-ecules. The dianion is situated on a crystallographic inversion centre. Two very strong symmetry-restricted O⋯H⋯O hydrogen bonds are present which are situated about the crystallographic inversion centres. In one of these hydrogen bonds, the H atom is situated at its centre, while in the other one the H atom is disordered about its centre. Both H atoms are involved in the chain-like C(2) (2)(16) motif, and not in a more common motif R(2) (2)(8) that is composed of a pair of hydrogen carboxyl-ates with the H atoms situated about the centre between the pair of O atoms. In the crystal, inter-action of these hydrogen bonds results in formation of anionic layers of dianions parallel to (-111). The water mol-ecules donate their H atoms to one of two of the carboxyl-ate O atoms, forming strong hydrogen bonds. The dimethyl-ammonium donates a bifurcated hydrogen bond to an oxo group of the dianion, forming weak hydrogen bonds. All the hydrogen bonds form a three-dimensional hydrogen-bonded network.

  16. Bifunctional Organo/Metal Cooperatively Catalyzed [3 + 2] Annulation of para-Quinone Methides with Vinylcyclopropanes: Approach to Spiro[4.5]deca-6,9-diene-8-ones.

    PubMed

    Yuan, Zhenbo; Wei, Weiwei; Lin, Aijun; Yao, Hequan

    2016-07-15

    A novel [3 + 2] annulation between para-quinone methides and vinylcyclopropanes for the synthesis of spiro[4.5]deca-6,9-diene-8-ones has been described. The palladium and phosphine-thiourea cooperative catalysis system played an important role in high yields and diastereoselectivities. The reaction exhibited good functional group tolerance and scalability.

  17. Photoredox-Catalyzed Intramolecular Difluoromethylation of N-Benzylacrylamides Coupled with a Dearomatizing Spirocyclization: Access to CF2H-Containing 2-Azaspiro[4.5]deca-6,9-diene-3,8-diones.

    PubMed

    Zhang, Zuxiao; Tang, Xiao-Jun; Dolbier, William R

    2016-03-04

    A visible light-mediated difluoromethylation of N-benzylacrylamides with HCF2SO2Cl as the HCF2 radical precursor is described. The reaction incorporates a tandem cyclization/dearomatization process to afford various difluoromethylated 2-azaspiro[4.5]deca-6,9-diene-3,8-diones bearing adjacent quaternary stereocenters under mild conditions in moderate to excellent yields.

  18. 15 CFR 8b.4 - Discrimination prohibited.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 15 Commerce and Foreign Trade 1 2012-01-01 2012-01-01 false Discrimination prohibited. 8b.4 Section 8b.4 Commerce and Foreign Trade Office of the Secretary of Commerce PROHIBITION OF DISCRIMINATION... Provisions § 8b.4 Discrimination prohibited. (a) General. No qualified handicapped individual shall, on...

  19. 15 CFR 8b.4 - Discrimination prohibited.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 15 Commerce and Foreign Trade 1 2014-01-01 2014-01-01 false Discrimination prohibited. 8b.4 Section 8b.4 Commerce and Foreign Trade Office of the Secretary of Commerce PROHIBITION OF DISCRIMINATION... Provisions § 8b.4 Discrimination prohibited. (a) General. No qualified handicapped individual shall, on...

  20. 15 CFR 8b.4 - Discrimination prohibited.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 15 Commerce and Foreign Trade 1 2013-01-01 2013-01-01 false Discrimination prohibited. 8b.4 Section 8b.4 Commerce and Foreign Trade Office of the Secretary of Commerce PROHIBITION OF DISCRIMINATION... Provisions § 8b.4 Discrimination prohibited. (a) General. No qualified handicapped individual shall, on...

  1. 1 CFR 8.4 - Indexes.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 1 General Provisions 1 2010-01-01 2010-01-01 false Indexes. 8.4 Section 8.4 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER SPECIAL EDITIONS OF THE FEDERAL REGISTER CODE OF FEDERAL REGULATIONS § 8.4 Indexes. A subject index to the entire Code shall be annually revised and...

  2. 1 CFR 8.4 - Indexes.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 1 General Provisions 1 2011-01-01 2011-01-01 false Indexes. 8.4 Section 8.4 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER SPECIAL EDITIONS OF THE FEDERAL REGISTER CODE OF FEDERAL REGULATIONS § 8.4 Indexes. A subject index to the entire Code shall be annually revised and...

  3. 27 CFR 8.4 - Jurisdictional limits.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Jurisdictional limits. 8.4 Section 8.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS EXCLUSIVE OUTLETS Scope of Regulations § 8.4 Jurisdictional limits. (a)...

  4. 43 CFR 8.4 - Blocking out.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 1 2012-10-01 2011-10-01 true Blocking out. 8.4 Section 8.4 Public Lands: Interior Office of the Secretary of the Interior JOINT POLICIES OF THE DEPARTMENTS OF THE INTERIOR AND OF THE ARMY RELATIVE TO RESERVOIR PROJECT LANDS § 8.4 Blocking out. Blocking out will be accomplished...

  5. 43 CFR 8.4 - Blocking out.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 1 2011-10-01 2011-10-01 false Blocking out. 8.4 Section 8.4 Public Lands: Interior Office of the Secretary of the Interior JOINT POLICIES OF THE DEPARTMENTS OF THE INTERIOR AND OF THE ARMY RELATIVE TO RESERVOIR PROJECT LANDS § 8.4 Blocking out. Blocking out will be accomplished...

  6. 43 CFR 8.4 - Blocking out.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 43 Public Lands: Interior 1 2014-10-01 2014-10-01 false Blocking out. 8.4 Section 8.4 Public Lands: Interior Office of the Secretary of the Interior JOINT POLICIES OF THE DEPARTMENTS OF THE INTERIOR AND OF THE ARMY RELATIVE TO RESERVOIR PROJECT LANDS § 8.4 Blocking out. Blocking out will be accomplished...

  7. 43 CFR 8.4 - Blocking out.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 1 2013-10-01 2013-10-01 false Blocking out. 8.4 Section 8.4 Public Lands: Interior Office of the Secretary of the Interior JOINT POLICIES OF THE DEPARTMENTS OF THE INTERIOR AND OF THE ARMY RELATIVE TO RESERVOIR PROJECT LANDS § 8.4 Blocking out. Blocking out will be accomplished...

  8. 43 CFR 8.4 - Blocking out.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 43 Public Lands: Interior 1 2010-10-01 2010-10-01 false Blocking out. 8.4 Section 8.4 Public Lands: Interior Office of the Secretary of the Interior JOINT POLICIES OF THE DEPARTMENTS OF THE INTERIOR AND OF THE ARMY RELATIVE TO RESERVOIR PROJECT LANDS § 8.4 Blocking out. Blocking out will be accomplished...

  9. Reduction of hysteresis losses in the magnetic refrigerant La0.8Ce0.2Fe11.4Si1.6 by the addition of boron

    NASA Astrophysics Data System (ADS)

    Shamba, P.; Debnath, J. C.; Zeng, R.; Wang, J. L.; Campbell, S. J.; Kennedy, S. J.; Dou, S. X.

    2011-04-01

    In an effort to improve the magnetocaloric effects of the NaZn13-type La0.8Ce0.2Fe11.4Si1.6 compound, the effect of boron doping on the magnetic properties and magnetocaloric properties has been investigated. The magnetic entropy change (ΔSM) for the La0.8Ce0.2Fe11.4Si1.6 compound, obtained for a field change of 0-5 T using the Maxwell relation exhibits a spike and appears to be overestimated and is thus corrected by using the Clausius-Clapeyron equation (CC). The ΔSM determined from the CC equation is estimated to be 19.6 J kg-1K-1. However, large hysteretic losses which are detrimental to the magnetic refrigeration efficiency occur in the same temperature range. In this work, we report a significant reduction in hysteretic losses by doping the La0.8Ce0.2Fe11.4Si1.6 compound with a small amount of boron to obtain La0.8Ce0.2Fe11.4Si1.6Bx compounds. The hysteresis loss decreases from 131.5 to 8.1 J kg -1 when x increases from 0 to 0.3, while ΔSM, obtained for a field change of 0-5 T, varies from 19.6 to 15.9 J kg-1K-1. This also simultaneously shifts the TC from 174 to 184 K and significantly improves the effective refrigerant capacity (RCeff) of the material from 164 to 305 J kg-1.

  10. [[Cu(en)(2)](2)Re(4)Te(4)(CN)(12)].5H(2)O and [[Cu(en)(2)](2)Re(6)Te(8)(CN)(6)].5H(2)O: bonding of a transition-metal complex to a rhenium chalcocyanide cluster.

    PubMed

    Mironov, Y V; Fedorov, V E; Ijjaali, I; Ibers, J A

    2001-11-19

    The use of a cyano group of a transition-metal cluster complex to bond to another transition-metal complex has been realized in the syntheses of [[Cu(en)(2)](2)Re(4)Te(4)(CN)(12)].5H(2)O (1) and [[Cu(en)(2)](2)Re(6)Te(8)(CN)(6)].5H(2)O (2), (en = ethylenediamine). These compounds have been synthesized by the reaction of an aqueous solution of K(4)[Re(4)Te(4)(CN)(12)].5H(2)O (for 1) or K(4)[Re(6)Te(8)(CN)(6)] (for 2) with an ammonia solution of Cu(en)(2)Cl(2). In each compound, two Cu(en)(2) groups are bonded to the Re cluster through Cu-N(cyanide) bonds. In compound 1, which contains a tetrahedral cluster core, the Cu(en)(2) groups are necessarily bonded to cis cyano groups; in compound 2, which has an octahedral cluster core, they are bonded to trans cyano groups. Compound 1 crystallizes in the monoclinic space group C2/c with four formulas in unit cell of dimensions a = 18.9077(10), b = 15.4841(8), c = 14.4483(8) A, beta = 95.124(1) degrees, and V = 4213.1(4) A(3) (T = 153 K); compound 2 crystallizes in the triclinic space group P1 with one formula in a unit cell of dimensions a = 9.4906(3), b = 10.6529(4), c = 12. 6252(5) A, alpha = 113.599(1) degrees, beta = 103.404(1) degrees, gamma = 92.659(1) degrees, and V = 1123.87(7) A(3) (T = 153 K).

  11. 2,4,6-Trichlorophenol

    Integrated Risk Information System (IRIS)

    2,4,6 - Trichlorophenol ; CASRN 88 - 06 - 2 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcino

  12. The first three-fold interpenetrated framework with two different four-connected uniform nets of 6(6) dia and new chiral 8(6) mdf networks.

    PubMed

    Wang, Zhi-Long; Fang, Wei-Hui; Yang, Guo-Yu

    2010-11-21

    Two three-fold interpenetrated frameworks, [LnCuL(4)][Ln(0.25)Cu(0.25)L] (Ln = Dy 1, Er 2; HL = 4-(pyridin-4-yl)benzoic acid), have been made. Their structures contain two kinds of four-connected uniform nets: dia and mdf nets. The mdf net is a new chiral 8(6) net with the long vertex symbol (8(1).8(3).8(4).8(4).8(4).8(4)).

  13. 6-Allyl-8-meth­oxy-3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazine

    PubMed Central

    Zhu, Jing; Ren, Zhi-Dong; Liu, Yang; Zhao, Lei; Wu, Yong

    2011-01-01

    In the title compound, C18H19NO2, the allyl group is disordered over two sets of sites [occupancy ratio 0.662 (4):0.338 (4)]. The dihedral angle between the phenyl and benzene rings is 87.44 (10)°. The oxazinane ring adopts a sofa conformation. PMID:22091082

  14. Crystal structure of 2-[9-(2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetic acid.

    PubMed

    Akkurt, Mehmet; Jasinski, Jerry P; Mohamed, Shaaban K; Allah, Omyma A Abd; Tamam, Asmaa H A; Albayati, Mustafa R

    2015-12-01

    The title compound, C21H21NO5, crystallizes with two mol-ecules in the asymmetric unit. In each mol-ecule, the central 1,4-di-hydro-pyridine ring adopts a shallow sofa conformations (with the C atom bearing the phenol ring as the flap), whereas the pendant cyclo-hexene rings both have twisted-boat conformations. Each mol-ecule features an intra-molecular O-H⋯O hydrogen bond, which closes an S(8) ring. In the crystal, the mol-ecules are linked by O-H⋯O, C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional network.

  15. 9-Furfuryl-idene-2,3-dimethyl-6,7,8,9-tetrahydro-4H--thieno[2',3':4,5]pyrimidino[1,2-a]pyridin-4-one.

    PubMed

    Bozorov, Khurshed A; Elmuradov, Burkhon Zh; Okmanov, Rasul Ya; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M

    2010-02-06

    The title compound, C(17)H(16)N(2)O(2)S, was obtained by condensation of 2,3-dimethyl-thieno[2',3':4,5]pyrimidino[1,2-a]pyridin-4-one with furfural in the presence of sodium hydroxide. One of the methyl-ene groups of the tetra-hydro-pyrido ring is disordered over two positions in a 0.87 (1):0.13 (1) ratio. The thieno[2,3-d]pyrimidin-4-one unit and the furan ring are both planar (r.m.s. deviation = 0.535 Å), and coplanar with each other, forming a dihedral angle of 5.4 (1)°. Four weak inter-molecular hydrogen bonds (C-H⋯O and C-H⋯N) are observed in the structure, which join mol-ecules into a network parallel to (101).

  16. Interactions of fluorinated gases with ionic liquids: solubility of CF4, C2F6, and C3F8 in trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide.

    PubMed

    Pison, L; Canongia Lopes, J N; Rebelo, L P N; Padua, A A H; Costa Gomes, M F

    2008-10-02

    The interactions between ionic liquids and totally fluorinated alkanes are investigated by associating gas solubility measurements with molecular simulation calculations. Experimental values for the solubility of perfluoromethane, perfluoroethane, and perfluoropropane in one ionic liquidtrihexyltetradecylphophonium bis(trifluoromethylsulfonyl)amide [P 6,6,6,14][Ntf 2]are reported between 303 and 343 K and close to atmospheric pressure. All mole fraction solubilities decrease with increasing temperature. From the variation of Henry's law constants with temperature, the thermodynamic functions of solvation were calculated. The precision of the experimental data, considered as the average absolute deviation of the Henry's law constants from appropriate smoothing equations, is always better than +/-3%. By the analysis of the differences between the solute-solvent radial distribution functions of perfluoromethane and perfluoropropane obtained by molecular simulation, it was possible to explain why solubility increases with the size of the perfluoroalkane. The trend of solubility is explained on the basis of the location of the solute with respect to the solvent ions as well as on the differences in the solute-solvent energies of interaction.

  17. Role of the chicken homeobox-containing genes GHox-4.6 and GHox-8 in the specification of positional identities during the development of normal and polydactylous chick limb buds.

    PubMed

    Coelho, C N; Upholt, W B; Kosher, R A

    1992-06-01

    During early stages of normal chick limb development, the homeobox-containing (HOX) gene GHox-4.6 is expressed throughout the posterior mesoderm of the wing bud from which most of the skeletal elements including the digits will develop, whereas GHox-8 is expressed in the anterior limb bud mesoderm which will not give rise to skeletal elements. In the present study, we have examined the expression of GHox-4.6 and GHox-8 in the wing buds of two polydactylous mutant chick embryos, diplopodia-5 and talpid2, from which supernumerary digits develop from anterior limb mesoderm, and have also examined the expression of these genes in response to polarizing zone grafts and retinoic acid-coated bead implants which induce the formation of supernumerary digits from anterior limb mesoderm. We have found that the formation of supernumerary digits from the anterior mesoderm in mutant and experimentally induced polydactylous limb buds is preceded by the ectopic expression of GHox-4.6 in the anterior mesoderm and the coincident suppression of GHox-8 expression in the anterior mesoderm. These observations suggest that the anterior mesoderm of the polydactylous limb buds is "posteriorized" and support the suggestion that GHox-8 and GHox-4.6, respectively, are involved in specifying the anterior non-skeletal and posterior digit-forming regions of the limb bud. Although the anterior mesodermal domain of GHox-8 expression is severely impaired in the mutant and experimentally induced polydactylous limb buds, this gene is expressed by the prolonged, thickened apical ectodermal ridges of the polydactylous limb buds that extend along the distal anterior as well as the distal posterior mesoderm.(ABSTRACT TRUNCATED AT 250 WORDS)

  18. Photoinduced ferrimagnetic systems in Prussian blue analogues C(I)xCo4[Fe(CN)6]y (C(I) = alkali cation). 4. Characterization of the ferrimagnetism of the photoinduced metastable state in Rb1.8Co4[Fe(CN)6]3.3-13H2O by K edges X-ray magnetic circular dichroism.

    PubMed

    Champion, G; Escax, V; Cartier Dit Moulin, C; Bleuzen, A; Villain, F; Baudelet, F; Dartyge, E; Verdaguer, M

    2001-12-19

    In Part 2 of this work, the electronic and local structure of the photoinduced metastable magnetic state of the Prussian blue analogue Rb1.8Co4[Fe(CN)6]3.3-13H2O were characterized. To determine directly the relative orientation of the magnetic moments of Co(II) and Fe(III) ions in the metastable state, and the nature of the exchange interaction between them, we performed X-ray magnetic circular dichroism (XMCD) experiments at the cobalt and iron K edges. We present the first direct experimental evidence of the antiferromagnetic interaction between the cobalt and the iron ions, leading to the ferrimagnetism of the photoinduced metastable state.

  19. Beyond butadiene II: thermal isomerization of the [2 + 2] photodimer of an all-trans tetraene, (R)-4,4abeta,5,6,10a-hexahydro-10abeta-methyl-2(3H)-methyleneanthracene, to a 16-membered [8 + 8] cycle.

    PubMed

    Doering, W V; He, J; Shao, L

    2001-09-19

    Enthalpies of stabilization of polyenyl radicals of increasing order previously obtained by thermal geometrical isomerization are applied to the ethylene-cyclobutane paradigm. Progressively lower enthalpies of activation for thermal cyclodimerization and its reverse, cycloreversion, are predicted and realized. Photochemical dimerization at -75 degrees C of the optically pure tetraene of the title (1) at the semicyclic double bond produces in the main only one (4-axx) of the three allowed cyclobutanes (4), to which the tentative configuration anti-exo,exo is assigned. Equilibration among the three cyclobutanes (4), a slower rearrangement to a thermodynamically considerably more stable, [8 + 8] cyclohexadecahexaene (16), and a surprisingly slow fragmentation to 1 are studied kinetically between -42.3 and -8.2 degrees C. Cycloreversion of the dimer 16 to monomer 1 occurs in the range 60.4-86.6 degrees C (DeltaH = 31.7 kcal mol(-1), DeltaS = +10.8 cal mol(-1) K(-1)). The ratio of the rates of stereomutation and cycloreversion is significantly larger in these 1,2-dihexatrienylcyclobutanes than in two less strongly stabilized, previously published examples. The possible extension of Doubleday's calculational finding of entropic control of products from cyclobutane is considered.

  20. 15 CFR 4.8 - Classified Information.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Classified Information. 4.8 Section 4... INFORMATION Freedom of Information Act § 4.8 Classified Information. In processing a request for information..., the information shall be reviewed to determine whether it should remain classified. Ordinarily...

  1. Synthesis, characterization, thermal behaviour and single crystal X-ray analysis of two new insensitive high energy density materials [8-hydroxyquinolinium 5-(2,4,6-trinitrophenyl)barbiturate (I) and 8-hydroxyquinolinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethyl barbiturate (II)

    NASA Astrophysics Data System (ADS)

    Manickkam, V.; Devi, P. Poornima; Kalaivani, D.

    2014-12-01

    Barbiturates I and II have been synthesized as maroon red and red orange coloured solids by mixing the ethanolic solutions of 2-chloro-1,3,5-trinitrobenzene ( TNCB), pyrimidine-2,4,6(1 H,3 H,5 H)-trione [barbituric acid ( BA)] and 8-hydroxyquinoline and 1,3-dichloro-4,6-dinitrobenzene ( DCDNB), 1,3-dimethylpyrimidine-2,4,6(1 H,3 H,5 H)-trione(1,3-dimethylbarbituric acid) and 8-hydroxyquinoline respectively. The structures of these two barbiturates have been predicted from the spectral studies (UV-VIS, IR, 1H NMR, 13C NMR, mass) and elemental analysis. Qualitative tests have been carried out to infer the presence of nitrogen and nitro groups and also chlorine atom in barbiturate II. Slow evaporation of ethanol-dimethylsulphoxide/ethanol solutions of barbiturate I/barbiturate II at 293 K yielded good for X-Ray diffraction crystals. Single crystal X-ray diffraction studies of the crystals further confirm the putative structures of the barbiturates. The asymmetric unit of the barbiturate I comprises of 8-hydroxyquinolinium cation, 5-(2,4,6-trinitrophenyl) barbiturate anion and a molecule of dimethylsulphoxide (DMSO), which is used as a recrystallizing solvent. It crystallizes in the triclinic system with space group (centrosymmetric). Barbiturate II crystallizes in the orthorhombic system with space group P212121 (non-centrosymmetric). Barbiturates I and II are stable towards an impact sensitivity test, when a weight of 2 kg mass hammer is dropped from a height of 160 cm of the instrument. TGA/ DTA analyses at four different heating rates (5, 10, 20, and 40 K/min) imply that they undergo exothermic decomposition (˜85%) in three different stages between 273 and 873 K. Activation energies for these decomposition processes have been calculated by employing Kissinger and Ozawa plots. Impact sensitivity test and activation energies have revealed that the titled barbiturates are insensitive high energy density materials ( IHEDMS).

  2. Replication Bypass of the trans-4-Hydroxynonenal-Derived (6S,8R,11S)-1,N[superscript 2]-Deoxyguanosine DNA Adduct by the Sulfolobus solfataricus DNA Polymerase IV

    SciTech Connect

    Banerjee, Surajit; Christov, Plamen P.; Kozekova, Albena; Rizzo, Carmelo J.; Egli, Martin; Stone, Michael P.

    2014-10-02

    trans-4-Hydroxynonenal (HNE) is the major peroxidation product of {omega}-6 polyunsaturated fatty acids in vivo. Michael addition of the N{sub 2}-amino group of dGuo to HNE followed by ring closure of N1 onto the aldehyde results in four diastereomeric 1,N{sub 2}-dGuo (1,N{sub 2}-HNE-dGuo) adducts. The (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct was incorporated into the 18-mer templates 5'-d(TCATXGAATCCTTCCCCC)-3' and d(TCACXGAATCCTTCCCCC)-3', where X = (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct. These differed in the identity of the template 5'-neighbor base, which was either Thy or Cyt, respectively. Each of these templates was annealed with either a 13-mer primer 5'-d(GGGGGAAGGATTC)-3' or a 14-mer primer 5'-d(GGGGGAAGGATTCC)-3'. The addition of dNTPs to the 13-mer primer allowed analysis of dNTP insertion opposite to the (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct, whereas the 14-mer primer allowed analysis of dNTP extension past a primed (6S,8R,11S)-HNE-1,N{sub 2}-dGuo:dCyd pair. The Sulfolobus solfataricus P2 DNA polymerase IV (Dpo4) belongs to the Y-family of error-prone polymerases. Replication bypass studies in vitro reveal that this polymerase inserted dNTPs opposite the (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct in a sequence-specific manner. If the template 5'-neighbor base was dCyt, the polymerase inserted primarily dGTP, whereas if the template 5'-neighbor base was dThy, the polymerase inserted primarily dATP. The latter event would predict low levels of Gua {yields} Thy mutations during replication bypass when the template 5'-neighbor base is dThy. When presented with a primed (6S,8R,11S)-HNE-1,N{sub 2}-dGuo:dCyd pair, the polymerase conducted full-length primer extension. Structures for ternary (Dpo4-DNA-dNTP) complexes with all four template-primers were obtained. For the 18-mer:13-mer template-primers in which the polymerase was confronted with the (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct, the (6S,8R,11S)-1,N{sub 2}-dGuo lesion remained in the ring

  3. Syntheses and Crystal Structures of Ruthenium Complexes of 1,4,8,11-Tetraazacyclotetradecane, Tris(2-aminoethyl)amine (tren), and Bis(2-aminoethyl)(iminomethyl)amine. A Microporous Layered Structure Consisting of {[K(tren)](2)[RuCl(6)]}(n)()(n)()(-) and {(H(5)O(2))(4)[RuCl(6)]}(n)()(n)()(+).

    PubMed

    Sakai, Ken; Yamada, Yasutaka; Tsubomura, Taro

    1996-05-22

    The second method for the synthesis of cis-[Ru(III)Cl(2)(cyclam)]Cl (1) (cyclam = 1,4,8,11-tetraazacyclotetradecane), with use of cis-Ru(II)Cl(2)(DMSO)(4) (DMSO = dimethyl sulfoxide) as a starting complex, is reported together with the synthesis of [Ru(II)(cyclam)(bpy)](BF(4))(2).H(2)O (2) (bpy = 2,2'-bipyridine) from 1. The syntheses of Ru complexes of tris(2-aminoethyl)amine (tren) are also reported. A reaction between K(3)[Ru(III)(ox)(3)] (ox = oxalate) and tren affords fac-[Ru(III)Cl(3)(trenH)]Cl.(1)/(2)H(2)O (3) (trenH = bis(2-aminoethyl)(2-ammonioethyl)amine = monoprotonated tren) and (H(5)O(2))(2)[K(tren)][Ru(III)Cl(6)] (4) as major products and gives fac-[Ru(III)Cl(ox)(trenH)]Cl.(3)/(2)H(2)O (5) in very low reproducibility. A reaction between 3 and bpy affords [Ru(II)(baia)(bpy)](BF(4))(2) (6) (baia = bis(2-aminoethyl)(iminomethyl)amine), in which tren undergoes a selective dehydrogenation into baia. The crystal structures of 2-6 have been determined by X-ray diffraction, and their structural features are discussed in detail. Crystallographic data are as follows: 2, RuF(8)ON(6)C(20)B(2)H(34), monoclinic, space group P2(1)/c with a = 12.448(3) Å, b = 13.200(7) Å, c = 17.973(4) Å, beta = 104.28(2) degrees, V = 2862(2) Å(3), and Z = 4; 3, RuCl(4)O(0.5)N(4)C(6)H(20), monoclinic, space group P2(1)/a with a = 13.731(2) Å, b = 14.319(4) Å, c = 13.949(2) Å, beta = 90.77(1) degrees, V = 2742(1) Å(3), and Z = 8; 4, RuKCl(6)O(4)N(4)C(6)H(28), trigonal, space group R&thremacr; with a = 10.254(4), c = 35.03(1) Å, V = 3190(2) Å(3), and Z = 6; 5, RuCl(2)O(5.5)N(4)C(8)H(22), triclinic, space group P&onemacr; with a = 10.336(2) Å, b = 14.835(2) Å, c = 10.234(1) Å, alpha = 90.28(1) degrees, beta = 90.99(1) degrees, gamma = 92.07(1) degrees, V = 1567.9(4) Å(3), and Z = 4; 6, RuF(8)N(6)C(16)B(2)H(24), monoclinic, space group P2(1)/c, a = 10.779(2) Å, b = 14.416(3) Å, c = 14.190(2) Å, beta = 93.75(2) degrees, V = 2200.3(7) Å(3), and Z = 4. Compound 4 possesses

  4. Competitive inhibition of human organic anion transporters 1 (SLC22A6), 3 (SLC22A8) and 4 (SLC22A11) by major components of the medicinal herb Salvia miltiorrhiza (Danshen).

    PubMed

    Wang, Li; Sweet, Douglas H

    2013-01-01

    When herbal products are used in combination therapy with drugs, alterations in pharmacokinetics, pharmacodynamics, and toxicity can result. Many active components of herbal products are organic anions, and human organic anion transporter 1 (hOAT1, SLC22A6), hOAT3 (SLC22A8), and hOAT4 (SLC22A11) have been identified as potential sites of drug-drug interactions. Therefore, we assessed the effects of lithospermic acid (LSA), rosmarinic acid (RMA), salvianolic acid A (SAA), salvianolic acid B (SAB), and tanshinol (TSL), components of the herbal medicine Danshen, on the function of these transporters. Kinetic analysis demonstrated a competitive mechanism of inhibition for all five. K(i) values (µM) were estimated as 20.8 ± 2.1 (LSA), 0.35 ± 0.06 (RMA), 5.6 ± 0.3 (SAA), 22.2 ± 1.9 (SAB), and 40.4 ± 12.9 (TSL) on hOAT1 and as 0.59 ± 0.26 (LSA), 0.55 ± 0.25 (RMA), 0.16 ± 0.03 (SAA), 19.8 ± 8.4 (SAB), and 8.6 ± 3.3 (TSL) on hOAT3. No significant inhibition of hOAT4 activity by TSL was observed. Using published human pharmacokinetic values, unbound C(max)/K(i) ratios were calculated as an indicator of in vivo drug-drug interaction potential. Analysis indicated a strong interaction potential for RMA and TSL on both hOAT1 and hOAT3 and for LSA on hOAT3. Thus, herb-drug interactions may occur in vivo in situations of co-administration of Danshen and clinical therapeutics known to be hOAT1/hOAT3 substrates.

  5. Correlation between superconductivity and structural properties under high pressure of iron pnictide superconductor Ce[subscript 0.6]Y[subscript 0.4]FeAsO[subscript 0.8]F[subscript 0.2

    SciTech Connect

    Kanagaraj, M.; Arumugam, S.; Kumar, Ravhi S.; Selvan, N.R. Tamil; Muthu, S. Esakki; Prakash, J.; Thakur, Gohil S.; Yoshino, H.; Murata, K.; Matsubayashi, K.; Uwatoko, Y.; Sinogeikin, S.; Cornelius, Andrew; Ganguli, A.K.; Zhao, Yusheng

    2012-02-28

    We report here the pressure dependence of the electrical resistivity and magnetic susceptibility of polycrystalline Ce{sub 0.6}Y{sub 0.4}FeAsO{sub 0.8}F{sub 0.2} superconductor in the temperature range 4 K to 300 K up to 8 GPa. In-situ high pressure-low temperature x-ray diffraction was performed at 8 K up to 32 GPa using synchrotron x-rays with helium pressure medium. The results show that the applied pressure slightly increases the T{sub c} up to 1 GPa and then it decreases on further pressure increase. The reduction of superconducting transition temperature occurs with a transition to a collapsed tetragonal phase and may be associated with a possible valence change of Ce.

  6. Wear studies on plasma-sprayed Al2O3 and 8mole% of Yttrium-stabilized ZrO2 composite coating on biomedical Ti-6Al-4V alloy for orthopedic joint application.

    PubMed

    Ganapathy, Perumal; Manivasagam, Geetha; Rajamanickam, Asokamani; Natarajan, Alagumurthi

    2015-01-01

    This paper presents the wear characteristics of the composite ceramic coating made with Al2O3-40wt%8YSZ on the biomedical grade Ti-6Al-4V alloy (grade 5) used for total joint prosthetic components, with the aim of improving their tribological behavior. The coatings were deposited using a plasma spraying technique, and optimization of plasma parameters was performed using response surface methodology to obtain dense coating. The tribological behaviors of the coated and uncoated substrates were evaluated using a ball-on-plate sliding wear tester at 37°C in simulated body-fluid conditions. The microstructure of both the titanium alloy and coated specimen were examined using an optical microscope and scanning electron microscope. The hardness of the plasma-sprayed alumina-zirconia composite coatings was 2.5 times higher than that of the Ti-6Al-4V alloy, while the wear rate of Ti-6Al-4V alloy was 253 times higher than that of the composite-coated Ti-6Al-4V alloy. The superior wear resistance of the alumina-zirconia coated alloy is attributed to its enhanced hardness and intersplat bonding strength. Wear-track examination showed that the predominant wear mechanism of Ti-6Al-4V alloy was abrasive and adhesive wear, whereas, in the case of alumina-zirconia composite coated alloy, the wear was dominated by microchipping and microcracking.

  7. Wear studies on plasma-sprayed Al2O3 and 8mole% of Yttrium-stabilized ZrO2 composite coating on biomedical Ti-6Al-4V alloy for orthopedic joint application

    PubMed Central

    Ganapathy, Perumal; Manivasagam, Geetha; Rajamanickam, Asokamani; Natarajan, Alagumurthi

    2015-01-01

    This paper presents the wear characteristics of the composite ceramic coating made with Al2O3-40wt%8YSZ on the biomedical grade Ti-6Al-4V alloy (grade 5) used for total joint prosthetic components, with the aim of improving their tribological behavior. The coatings were deposited using a plasma spraying technique, and optimization of plasma parameters was performed using response surface methodology to obtain dense coating. The tribological behaviors of the coated and uncoated substrates were evaluated using a ball-on-plate sliding wear tester at 37°C in simulated body-fluid conditions. The microstructure of both the titanium alloy and coated specimen were examined using an optical microscope and scanning electron microscope. The hardness of the plasma-sprayed alumina–zirconia composite coatings was 2.5 times higher than that of the Ti-6Al-4V alloy, while the wear rate of Ti-6Al-4V alloy was 253 times higher than that of the composite-coated Ti-6Al-4V alloy. The superior wear resistance of the alumina–zirconia coated alloy is attributed to its enhanced hardness and intersplat bonding strength. Wear-track examination showed that the predominant wear mechanism of Ti-6Al-4V alloy was abrasive and adhesive wear, whereas, in the case of alumina–zirconia composite coated alloy, the wear was dominated by microchipping and microcracking. PMID:26491323

  8. Comparison of Energetic Electron Distribution Functions Derived from CXDs (L~4.2), CPAs and SOPAs (L~6.6), and Model AE8 at or near the Magnetic Equator

    NASA Astrophysics Data System (ADS)

    Cayton, T. E.; Denton, M.; Borovsky, J.; Belian, R. D.; Christensen, R. A.; Ingraham, J. C.

    2015-12-01

    Throughout the range of L-shells important for GPS and GEO spacecraft (4.28 is represented very well by a sum of 3 exponential components, soft, hard, and tail, each parameterized by a temperature and a density. Furthermore, the 3 temperatures vary only slightly over this range of L-shells suggesting an almost isothermal electron population. Indeed, for AE8, the temperatures of the soft and hard populations actually decrease with decreasing L. The event-dominated and non-event-dominated natures of time variations on L-shells observed by GPS and GEO, respectively, underlie this paradox.1 At one end of the L range, and consistent with AE8, in situ measurements (averaged for several minutes or more) from GEO spacecraft are represented well by sums of 3 exponential components, and individual spectra resemble their average. At the lower end of the L range, however, individual CXD spectra exhibit characteristic non-equilibrium leakage features,2and they bear little resemblance to their average. Local-time asymmetries develop at L=4.2 during event decay phases that follow electron injections; 0.3 MeV electrons exhibit the largest asymmetries on these L-shells. When a 14-day-long averaging interval (sets of 14 individual CXD spectra with similar magnetic-equator-crossing coordinates) includes one or more electron injections, the energy dependence of the average spectra often resemble sums of 3 exponential components, consistent with the model based on average fluxes, AE8.1.) K. W. Chan, M. J. Teague, N. J. Schofield, and J. I. Vette, "Modeling of Electron Time Variations in the Radiation Belts," Quantitative Modeling of Magnetospheric Processes, W. P. Olson, ed., AGU, Washington D.C., 1979, p. 147. 2.) J. J. Duderstadt and L. J. Hamilton, Nuclear Reactor Analysis, John Wiley, New York, 1976, pp.381-383.

  9. Crystal structure of (1S,2R,6R,7R,8S,12S)-4,10,17-triphenyl-15-thia-4,10-diaza-penta-cyclo[5.5.5.0(1,16).0(2,6).0(8,12)]hepta-deca-13,16-diene-3,5,9,11-tetrone p-xylene hemisolvate.

    PubMed

    Noland, Wayland E; Kroll, Neil J; Huisenga, Matthew P; Yue, Ruixian A; Lang, Simon B; Klein, Nathan D; Tritch, Kenneth J

    2014-12-01

    The title tetrone compound, C32H22N2O4S· 0.5C8H10, is the major product (50% yield) of an attempted Diels-Alder reaction of 2-(α-styr-yl)thio-phene with N-phenyl-male-imide (2 equivalents) in toluene. Recrystallization of the resulting powder from p-xylene gave the title hemisolvate; the p-xylene mol-ecule is located about an inversion center. In the crystal, the primary tetrone contacts are between a carbonyl O atom and the four flagpole H atoms of the bi-cyclo-[2.2.2]octene core, forming chains along [001].

  10. SAPHIRE 8 Volume 6 - Quality Assurance

    SciTech Connect

    C. L. Smith; R. Nims; K. J. Kvarfordt

    2011-03-01

    The Systems Analysis Programs for Hands-on Integrated Reliability Evaluations (SAPHIRE) Version 8 is a software application developed for performing a complete probabilistic risk assessment using a personal computer running the Microsoft Windows™ operating system. SAPHIRE 8 is funded by the U.S. Nuclear Regulatory Commission (NRC). The role of the INL in this project is that of software developer and tester. This development takes place using formal software development procedures and is subject to quality assurance (QA) processes. The purpose of this document is to describe how the SAPHIRE software QA is performed for Version 8, what constitutes its parts, and limitations of those processes. In addition, this document describes the Independent Verification and Validation that was conducted for Version 8 as part of an overall QA process.

  11. Crystal structure of 6,9-dimethyl-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8(9H)-one 0.40-hydrate

    PubMed Central

    Harmaoui, Abdellah; Bouhfid, Rachid; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen

    2015-01-01

    In the mol­ecule of the title compound, C7H9N5O·0.40H2O, the seven-membered heterocyclic ring exhibits a boat conformation, whereas the five-membered triazole ring is almost planar (r.m.s. deviation = 0.005 Å). In the crystal, centrosymmetric dimers are linked by pairs of C—H⋯O hydrogen bonds into dimers, which are further connected via O—H⋯N and C—H⋯N hydrogen bonds, forming a three-dimensional network. The structure contains a partially occupied water mol­ecule lying on a twofold axis with an occupancy factor of 0.4. PMID:25705477

  12. Crystal structure of 6,9-dimethyl-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8(9H)-one 0.40-hydrate.

    PubMed

    Harmaoui, Abdellah; Bouhfid, Rachid; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen

    2015-01-01

    In the mol-ecule of the title compound, C7H9N5O·0.40H2O, the seven-membered heterocyclic ring exhibits a boat conformation, whereas the five-membered triazole ring is almost planar (r.m.s. deviation = 0.005 Å). In the crystal, centrosymmetric dimers are linked by pairs of C-H⋯O hydrogen bonds into dimers, which are further connected via O-H⋯N and C-H⋯N hydrogen bonds, forming a three-dimensional network. The structure contains a partially occupied water mol-ecule lying on a twofold axis with an occupancy factor of 0.4.

  13. High-performance symmetric sodium-ion batteries using a new, bipolar O3-type material, Na 0.8 Ni 0.4 Ti 0.6 O 2

    SciTech Connect

    Guo, Shaohua; Yu, Haijun; Liu, Pan; Ren, Yang; Zhang, Tao; Chen, Mingwei; Ishida, Masayoshi; Zhou, Haoshen

    2015-01-01

    Based on low-cost and rich resources, sodium-ion batteries have been regarded as a promising candidate for next-generation energy storage batteries in the large-scale energy applications of renewable energy and smart grids. However, there are some critical drawbacks limiting its application, such as safety and stability problems. In this work, a stable symmetric sodium-ion battery based on the bipolar, active O3-type material, Na0.8Ni0.4Ti0.6O2, is developed. This bipolar material shows a typical O3-type layered structure, containing two electrochemically active transition metals with redox couples of Ni4+/Ni2+ and Ti4+/Ti3+, respectively. This Na0.8Ni0.4Ti0.6O2-based symmetric cell exhibits a high average voltage of 2.8 V, a reversible discharge capacity of 85 mA h g(-1), 75% capacity retention after 150 cycles and good rate capability. This full symmetric cell will greatly contribute to the development of room-temperature sodium-ion batteries with a view towards safety, low cost and long life, and it will stimulate further research on symmetric cells using the same active materials as both cathode and anode.

  14. 24 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 24 Housing and Urban Development 1 2013-04-01 2013-04-01 false Discrimination prohibited. 8.4... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT General Provisions § 8.4 Discrimination prohibited. (a) No... in, be denied the benefits of, or otherwise be subjected to discrimination under any program...

  15. 15 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 15 Commerce and Foreign Trade 1 2014-01-01 2014-01-01 false Discrimination prohibited. 8.4 Section... General Provisions; Prohibitions: Nondiscrimination Clause; Applicability to Programs § 8.4 Discrimination... discrimination under, any program to which this part applies. (b) Specific discriminatory acts prohibited. (1)...

  16. 15 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 15 Commerce and Foreign Trade 1 2012-01-01 2012-01-01 false Discrimination prohibited. 8.4 Section... General Provisions; Prohibitions: Nondiscrimination Clause; Applicability to Programs § 8.4 Discrimination... discrimination under, any program to which this part applies. (b) Specific discriminatory acts prohibited. (1)...

  17. 15 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 15 Commerce and Foreign Trade 1 2011-01-01 2011-01-01 false Discrimination prohibited. 8.4 Section... General Provisions; Prohibitions: Nondiscrimination Clause; Applicability to Programs § 8.4 Discrimination... discrimination under, any program to which this part applies. (b) Specific discriminatory acts prohibited. (1)...

  18. 24 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 24 Housing and Urban Development 1 2014-04-01 2014-04-01 false Discrimination prohibited. 8.4... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT General Provisions § 8.4 Discrimination prohibited. (a) No... in, be denied the benefits of, or otherwise be subjected to discrimination under any program...

  19. 24 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 24 Housing and Urban Development 1 2012-04-01 2012-04-01 false Discrimination prohibited. 8.4... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT General Provisions § 8.4 Discrimination prohibited. (a) No... in, be denied the benefits of, or otherwise be subjected to discrimination under any program...

  20. 24 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 24 Housing and Urban Development 1 2011-04-01 2011-04-01 false Discrimination prohibited. 8.4... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT General Provisions § 8.4 Discrimination prohibited. (a) No... in, be denied the benefits of, or otherwise be subjected to discrimination under any program...

  1. 15 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 15 Commerce and Foreign Trade 1 2013-01-01 2013-01-01 false Discrimination prohibited. 8.4 Section... General Provisions; Prohibitions: Nondiscrimination Clause; Applicability to Programs § 8.4 Discrimination... discrimination under, any program to which this part applies. (b) Specific discriminatory acts prohibited. (1)...

  2. 27 CFR 8.4 - Jurisdictional limits.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false Jurisdictional limits. 8.4 Section 8.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF...) The direct effect of the requirement is to prevent, deter, hinder, or restrict other persons...

  3. 27 CFR 8.4 - Jurisdictional limits.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2012-04-01 2012-04-01 false Jurisdictional limits. 8.4 Section 8.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF...) The direct effect of the requirement is to prevent, deter, hinder, or restrict other persons...

  4. 15 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Discrimination prohibited. 8.4 Section... General Provisions; Prohibitions: Nondiscrimination Clause; Applicability to Programs § 8.4 Discrimination... discrimination under, any program to which this part applies. (b) Specific discriminatory acts prohibited. (1)...

  5. 24 CFR 8.4 - Discrimination prohibited.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Discrimination prohibited. 8.4... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT General Provisions § 8.4 Discrimination prohibited. (a) No... in, be denied the benefits of, or otherwise be subjected to discrimination under any program...

  6. Mechanism of action of 4-hydroxymethyl-1,6,8-trimethylfuro[2,3-h]quinolin-2(1H)-one, a very active angular furocoumarin-like sensitizer.

    PubMed

    Marzano, Cristina; Bettio, Frazia; Chilin, Adriana; Caffieri, Sergio; Reddi, Elena; Bordin, Franco

    2005-01-01

    The molecular structure of 1,4,6,8-tetramethylfuro[2,3-h]quinolin-2(1H)-one (FQ), a recent furocoumarin-like photosensitizer, has been modified with the aim of reducing its strong genotoxicity, by replacing the methyl group at 4 position with a hydroxymethyl one, and so obtaining 4-hydroxymethyl-1,6,8-trimethylfuro[2,3-h]quinolin-2(1H)-one (HOFQ). This modification gave rise to a strong reduction of lipophilicity and dark interaction with DNA. The formation of monoadducts (MA) was deeply affected, whereas the induction of bifunctional adducts between DNA and proteins (DPC(L>0)) was replaced by an efficient production of DNA-protein cross-links at zero length (DPC(L=0)), probably via guanine damage. Because of its angular molecular structure, HOFQ does not form interstrand cross-links (ISC): therefore, DPC(L=0) and MA represent the main lesions induced by HOFQ in DNA. In comparison with FQ (which induces MA and DPC(L>0)) and 8-methoxypsoralen (8-MOP) (MA, ISC, DPC(L>0)), HOFQ seems to be a more selective agent. In fact, contrary to FQ and 8-MOP, HOFQ, together with a noticeable antiproliferative activity, shows low levels of point mutations in bacteria and of clastogenic effects in mammalian cells. HOFQ is also an efficient apoptosis inducer, especially in comparison with 8-MOP, when tested at equitoxic experimental conditions; this property might be correlated with the complete HOFQ inability of inducing skin erythemas, a well-known side effect of classic furocoumarin photosensitization.

  7. 4-Amino-2-arylamino-6-(2,6-dichlorophenyl)-pyrido[2,3-d]pyrimidin-7-(8H)-ones as BCR kinase inhibitors for B lymphoid malignancies.

    PubMed

    Puig de la Bellacasa, Raimon; Roué, Gaël; Balsas, Patricia; Pérez-Galán, Patricia; Teixidó, Jordi; Colomer, Dolors; Borrell, José I

    2014-10-30

    A new family of 4-aminopyrido[2,3-d]pyrimidines active against non-Hodgkin's lymphomas (NHLs) is described. Among these compounds, 19 inhibits the most upstream tyrosine kinases in the B cell receptor (BCR) signaling pathway which are involved in the mature B cell neoplasms. Thus, 19 showed antiproliferative activity at 24 h and 48 h against a panel of 20 NHLs cell lines with GI50 ranging from 1.3 to 6.9 μM at 24 h, and 1.4-7.2 μM at 48 h, being this effect related to a significant (20-90%) inhibition of the phosphorylation of the BCR-related kinases Btk, Syk, and Lyn. Most importantly, 19 was able to induce a 63% reduction in Rec-1 cell proliferation, which was significantly greater than the 31% and 3% blockade of proliferation observed after cell treatment with R406, a Syk inhibitor, and ibrutinib, a Btk inhibitor, respectively. The computational blind docking and ligand binding within the pockets of Btk, Syk and Lyn kinases showed that compound 19 presents the same kind of interactions of described cocrystallized inhibitors.

  8. Face-driven corner-linked octahedral nanocages: M6L8 cages formed by C3-symmetric triangular facial ligands linked via C4-symmetric square tetratopic Pd(II) ions at truncated octahedron corners.

    PubMed

    Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjae; John, Rohith P; Won, Hosik; Seong, Gi Hun; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo

    2006-03-22

    The face-driven corner-linked truncated octahedral nanocages, [Pd6L8]12+ (1, L1 = N,N',N' '-tris(3-pyridinyl)-1,3,5-benzenetricarboxamide; 2, L2 = N,N',N' '-tris(4-pyridinylmethyl)-1,3,5-benzenetricarboxamide), were prepared with eight C3-symmetric tridentate ligands and six square planar tetratopic palladium(II) ions. The combination of the nitrogen donor atom at a approximately 120 degrees kink position of the carboxamido pyridinyl group and the tilted pyridyl versus the facial plane of the ligands can provide the needed curvature for the formation of octahedral cages. The nitrogen atoms can coordinate to the square planar palladium(II) ions to form kinks with approximately 120 degrees angles at the C4-symmetric square planar corners of the truncated octahedron. Depending on the conformation of the ligand, L1, two different truncated octahedral cages of around 2.4 nm in diameters were formed. The major form of 1 with syn-conformational ligands has a cavity volume of approximately 1600 A3. The cage has 12 ports (3.4 x 3.5 A2) at all edges of the octahedron. The minor form of cage 1 with anti-conformational ligands has a slightly increased cavity volume ( approximately 1900 A3) and port size (3.3 x 8.0 A2). The insertion of a methylene group in L2 has not only increased the cavity volume of 2 to approximately 2200 A3 but also enlarged the port size to 4.1 x 8.0 A2. However, an atomic force microscopy (AFM) study of cage 2 showed that the cages had a height of 1.8 +/- 0.1 nm. This value is about 30% smaller than the calculated size of 2.6 nm from the crystal structure. This tip-induced decrease in height in cage 2 suggests the nonrigidity of cage 2.

  9. Regioselective synthesis of 7,8-dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H)-dione derivatives: A new drug-like heterocyclic scaffold

    PubMed Central

    Tzvetkov, Nikolay T; Euler, Harald

    2012-01-01

    Summary Dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H)-dione derivatives were prepared by successive N3- and N1-alkylation of hydantoins, followed by regioselective thionation and subsequent cyclization under mild conditions. In a final alkylation step a further substituent may be introduced. The synthetic strategy allows broad structural variation of this new drug-like heterobicyclic scaffold. In addition to extensive NMR and MS analyses, the structure of one derivative was confirmed by X-ray crystallography. PMID:23209490

  10. Regioselective synthesis of 7,8-dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H)-dione derivatives: A new drug-like heterocyclic scaffold.

    PubMed

    Tzvetkov, Nikolay T; Euler, Harald; Müller, Christa E

    2012-01-01

    Dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H)-dione derivatives were prepared by successive N3- and N1-alkylation of hydantoins, followed by regioselective thionation and subsequent cyclization under mild conditions. In a final alkylation step a further substituent may be introduced. The synthetic strategy allows broad structural variation of this new drug-like heterobicyclic scaffold. In addition to extensive NMR and MS analyses, the structure of one derivative was confirmed by X-ray crystallography.

  11. 8 CFR 1103.4 - Certifications.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Certifications. 1103.4 Section 1103.4... REGULATIONS APPEALS, RECORDS, AND FEES § 1103.4 Certifications. (a) Certification of other than special... affected party using a Notice of Certification (Form I-290C). The affected party may submit a brief to...

  12. 8 CFR 103.4 - Certifications.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Certifications. 103.4 Section 103.4 Aliens...; AVAILABILITY OF RECORDS § 103.4 Certifications. (a) Certification of other than special agricultural worker and... affected party using a Notice of Certification (Form I-290C). The affected party may submit a brief to...

  13. 8 CFR 1101.4 - Registration procedure.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Registration procedure. 1101.4 Section 1101.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 1101.4 Registration procedure. The procedure for an...

  14. 8 CFR 1101.4 - Registration procedure.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false Registration procedure. 1101.4 Section 1101.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 1101.4 Registration procedure. The procedure for an...

  15. 8 CFR 101.4 - Registration procedure.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Registration procedure. 101.4 Section 101.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 101.4 Registration procedure. The procedure for an application for creation of a record...

  16. 8 CFR 101.4 - Registration procedure.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Registration procedure. 101.4 Section 101.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 101.4 Registration procedure. The procedure for an application for creation of a record...

  17. 8 CFR 1101.4 - Registration procedure.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false Registration procedure. 1101.4 Section 1101.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 1101.4 Registration procedure. The procedure for an...

  18. 8 CFR 101.4 - Registration procedure.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Registration procedure. 101.4 Section 101.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 101.4 Registration procedure. The procedure for an application for creation of a record...

  19. 8 CFR 101.4 - Registration procedure.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false Registration procedure. 101.4 Section 101.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 101.4 Registration procedure. The procedure for an application for creation of a record...

  20. 8 CFR 101.4 - Registration procedure.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false Registration procedure. 101.4 Section 101.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 101.4 Registration procedure. The procedure for an application for creation of a record...

  1. 8 CFR 1101.4 - Registration procedure.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Registration procedure. 1101.4 Section 1101.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 1101.4 Registration procedure. The procedure for an...

  2. 8 CFR 244.4 - Ineligible aliens.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false Ineligible aliens. 244.4 Section 244.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 244.4 Ineligible aliens. An alien is ineligible for...

  3. 8 CFR 1244.4 - Ineligible aliens.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Ineligible aliens. 1244.4 Section 1244.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 1244.4 Ineligible aliens. An...

  4. 8 CFR 1244.4 - Ineligible aliens.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false Ineligible aliens. 1244.4 Section 1244.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 1244.4 Ineligible aliens. An...

  5. 8 CFR 244.4 - Ineligible aliens.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Ineligible aliens. 244.4 Section 244.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 244.4 Ineligible aliens. An alien is ineligible for...

  6. 8 CFR 1244.4 - Ineligible aliens.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Ineligible aliens. 1244.4 Section 1244.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 1244.4 Ineligible aliens. An...

  7. 8 CFR 1244.4 - Ineligible aliens.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Ineligible aliens. 1244.4 Section 1244.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 1244.4 Ineligible aliens. An...

  8. 8 CFR 244.4 - Ineligible aliens.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Ineligible aliens. 244.4 Section 244.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 244.4 Ineligible aliens. An alien is ineligible for...

  9. 8 CFR 244.4 - Ineligible aliens.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Ineligible aliens. 244.4 Section 244.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 244.4 Ineligible aliens. An alien is ineligible for...

  10. 8 CFR 1244.4 - Ineligible aliens.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false Ineligible aliens. 1244.4 Section 1244.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 1244.4 Ineligible aliens. An...

  11. 8 CFR 244.4 - Ineligible aliens.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false Ineligible aliens. 244.4 Section 244.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS TEMPORARY PROTECTED STATUS FOR NATIONALS OF DESIGNATED STATES § 244.4 Ineligible aliens. An alien is ineligible for...

  12. 8 CFR 264.4 - [Reserved

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false 264.4 Section 264.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS REGISTRATION AND FINGERPRINTING OF ALIENS IN THE UNITED STATES § 264.4...

  13. 8 CFR 264.4 - [Reserved

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false 264.4 Section 264.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS REGISTRATION AND FINGERPRINTING OF ALIENS IN THE UNITED STATES § 264.4...

  14. 8 CFR 264.4 - [Reserved

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false 264.4 Section 264.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS REGISTRATION AND FINGERPRINTING OF ALIENS IN THE UNITED STATES § 264.4...

  15. 8 CFR 264.4 - [Reserved

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false 264.4 Section 264.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS REGISTRATION AND FINGERPRINTING OF ALIENS IN THE UNITED STATES § 264.4...

  16. 8 CFR 264.4 - [Reserved

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false 264.4 Section 264.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS REGISTRATION AND FINGERPRINTING OF ALIENS IN THE UNITED STATES § 264.4...

  17. GTE_TRACEP_DC8 Parameters 6

    Atmospheric Science Data Center

    2013-02-18

    ... Methylbromide (CH3Br) Chloroform (CH3CCl3) Methyl Chloride (CH3Cl) Methyl Iodide (CH3I) Chlorodibromomethane (CHBr2Cl) ... (CHBrCl2) Trichloromethane (CHCl3) Ethyl chloride (C2H5Cl) Ethyliodide (C2H5I) 2-butyl nitrate (2-C4H9ONO2) ...

  18. Tunable photoluminescence properties of Ca{sub 8}NaLa(PO{sub 4}){sub 6}F{sub 2}:Eu{sup 2+},Mn{sup 2+} phosphor under UV excitation

    SciTech Connect

    Zhang, Fen; Lan, Tong; Tang, Wanjun

    2015-04-15

    Highlights: • Ca{sub 8}NaLa(PO{sub 4}){sub 6}F{sub 2}:Eu{sup 2+},Mn{sup 2+} was prepared by a combustion-assisted synthesis method. • The phosphor presents blue and yellow double color emissions. • Efficient energy transfer from Eu{sup 2+} to Mn{sup 2+} in this phosphor is observed obviously. • White emitting was realized in Ca{sub 8}NaGd(PO{sub 4}){sub 6}F{sub 2}:0.10Eu{sup 2+},0.32Mn{sup 2+},0.10B phosphor. - Abstract: A series of Eu{sup 2+} and Mn{sup 2+} coactivated Ca{sub 8}NaLa(PO{sub 4}){sub 6}F{sub 2} (CNLF) phosphors have been synthesized by a combustion-assisted synthesis method. The investigation revealed that Ca{sub 8}NaLa(PO{sub 4}){sub 6}F{sub 2} crystallized in a hexagonal crystal system with the space group P6{sub 3}/m (176). The Eu{sup 2+} activated phosphors can be efficiently excited in the range of 270–400 nm and give intense blue emission peaking at 451 nm. By codoping the Eu{sup 2+} and Mn{sup 2+} ions into the CNLF host and singly varying the doping content of the Mn{sup 2+} ion, tunable colors from blue to white and eventually to yellow are obtained in CNLF:Eu{sup 2+},Mn{sup 2+} phosphors under the irradiation of 330 nm. The energy transfer from Eu{sup 2+} to Mn{sup 2+} in CNLF:Eu{sup 2+},Mn{sup 2+} has been demonstrated to be a resonant type via a dipole–dipole mechanism and the critical distance of energy transfer from Eu{sup 2+} to Mn{sup 2+} was estimated to be about 11.9 Å. The investigation indicates that the obtained samples might have potential application in white LEDs.

  19. A critical review of both the synthesis approach and the receptor profile of the 8-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide and analogue derivatives.

    PubMed

    Lazzari, Paolo; Distinto, Rita; Manca, Ilaria; Baillie, Gemma; Murineddu, Gabriele; Pira, Marilena; Falzoi, Matteo; Sani, Monica; Morales, Paula; Ross, Ruth; Zanda, Matteo; Jagerovic, Nadine; Pinna, Gérard Aimè

    2016-10-04

    8-Chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide 9a was discovered as potent and selective CB1 antagonist by part of our group few years ago. In particular it was reported to have an affinity towards the CB1 cannabinoid receptor (CB1R), expressed as Ki, of 0.00035 nM. Nevertheless significantly divergent data were reported for the same compound from other laboratories. To unequivocally define the receptor profile of 9a, we have critically reviewed both its synthesis approach and binding data. Here we report that, in contrast to our previously reported data, 9a showed a Ki value for CB1R in the order of nanomolar rather than of fentomolar range. The new determined receptor profile of 9a was also ascertained for analogue derivatives 9b-i, as well as for 12. Moreover, the structural features of the synthesized compounds necessary for CB1R were investigated. Amongst the novel series, effects on CB1R intrinsic activity was highlighted due to the substituents at the position 3 of the pyrazole ring of the 1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole scaffold. Although the cannabinoid receptor profile of 9a was reviewed in this work, the relevance of this compound in CB1R antagonist based drug discovery is confirmed.

  20. Computational studies on the crystal structure, thermodynamic properties, detonation performance, and pyrolysis mechanism of 2,4,6,8-tetranitro-1,3,5,7-tetraazacubane as a novel high energy density material.

    PubMed

    Wang, Fang; Du, Hongchen; Zhang, Jianying; Gong, Xuedong

    2011-10-27

    Studies have suggested that octanitrocubane (ONC) is one of the most powerful non-nuclear high energy density material (HEDM) currently known. 2,4,6,8-Tetranitro-1,3,5,7-tetraazacubane (TNTAC) studied in this work may also be a novel HEDM due to its high nitrogen content and crystal density. Density functional theory and molecular mechanics methods have been employed to study the crystal structure, IR spectrum, electronic structure, thermodynamic properties, gas-phase and condensed-phase heat of formation, detonation performance, and pyrolysis mechanism of TNTAC. The TNTAC has a predicted density of about 2.12 g/cm(3), and its detonation velocity (10.42 km/s) and detonation pressure (52.82 GPa) are higher than that of ONC. The crystalline packing is P2(1)2(1)2(1), and the corresponding cell parameters are Z = 4, a = 8.87 Å, b = 8.87 Å, and c = 11.47 Å. Both the density of states of the predicted crystal and the bond dissociation energy of the molecule in gas phase show that the cage C-N bond is the trigger bond during thermolysis. The activation energy of the pyrolysis initiation reaction obtained from the B3LYP/6-311++G(2df,2p) level is 125.98 kJ/mol, which indicates that TNTAC meets the thermal stability request as an exploitable HEDM.

  1. Crystal structure of tris[(4,7,13,16,21,24-hexa­oxa-1,10-di­aza­bicyclo­[8.8.8]hexa­cosane-κ8 N 2,O 6)rubidium] rubidium nona­stannide

    PubMed Central

    Klein, Wilhelm; He, Haiyan; Fässler, Thomas F.

    2017-01-01

    The crystal structure of the title compound, [Rb(C18H36N2O6)]3RbSn9, consists of deltahedral [Sn9]4– cluster anions, Rb+ cations and cryptand mol­ecules, which partially sequester the cations. Those cations, which are not coordinated by cryptand mol­ecules, are neighboured directly to the [Sn9]4– clusters and inter­connect them to form ∞ 1[RbSn9]3– chains. These chains extend parallel to [001] and are arranged in a pseudo-hexa­gonal rod packing, separated by the Rb-cryptand complex cations. PMID:28217330

  2. (9S,13R,14S)-7,8-Didehydro-4-(4-fluoro-benz-yloxy)-3,7-dimeth-oxy-17-methyl-morphinan-6-one sesquihydrate.

    PubMed

    Zheng, Xing-Liang; Jiang, Ning-Fei; Luo, Dan; Gao, Hong-Sheng; Ding, Ai-Shun

    2011-08-01

    In the title sinomenine derivative, C(26)H(28)FNO(4)·1.5H(2)O, the dihedral angle between the two aromatic rings is 55.32 (6)°. The N-containing ring has an approximate chair conformation, while other two rings have approximate envelope and half-chair conformations. One water mol-ecule is located on a twofold symmetry axis. In the crystal, the water mol-ecules form O-H⋯O and O-H⋯N hydrogen bonds, bridging symmetry-related main mol-ecules.

  3. Volumetric Properties of the Mixture Cyclohexa-1,3-diene C6H8 + C10H12 1,2,3,4-Tetrahydronaphthalene (VMSD1211, LB3964_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Cyclohexa-1,3-diene C6H8 + C10H12 1,2,3,4-Tetrahydronaphthalene (VMSD1211, LB3964_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  4. Heat of Mixing and Solution of Cyclohexa-1,3-diene C6H8 + C10H12 1,2,3,4-Tetrahydronaphthalene (HMSD1111, LB4036_H)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Heat of Mixing and Solution of Cyclohexa-1,3-diene C6H8 + C10H12 1,2,3,4-Tetrahydronaphthalene (HMSD1111, LB4036_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  5. Gas-phase reactions of the bare Th2+ and U2+ ions with small alkanes, CH4, C2H6, and C3H8: experimental and theoretical study of elementary organoactinide chemistry.

    PubMed

    Di Santo, Emanuela; Santos, Marta; Michelini, Maria C; Marçalo, Joaquim; Russo, Nino; Gibson, John K

    2011-02-16

    The gas-phase reactions of two dipositive actinide ions, Th(2+) and U(2+), with CH(4), C(2)H(6), and C(3)H(8) were studied by both experiment and theory. Fourier transform ion cyclotron resonance mass spectrometry was employed to study the bimolecular ion-molecule reactions; the potential energy profiles (PEPs) for the reactions, both observed and nonobserved, were computed by density functional theory (DFT). The experiments revealed that Th(2+) reacts with all three alkanes, including CH(4) to produce ThCH(2)(2+), whereas U(2+) reacts with C(2)H(6) and C(3)H(8), with different product distributions than for Th(2+). The comparative reactivities of Th(2+) and U(2+) toward CH(4) are well explained by the computed PEPs. The PEPs for the reactions with C(2)H(6) effectively rationalize the observed reaction products, ThC(2)H(2)(2+) and UC(2)H(4)(2+). For C(3)H(8) several reaction products were experimentally observed; these and additional potential reaction pathways were computed. The DFT results for the reactions with C(3)H(8) are consistent with the observed reactions and the different products observed for Th(2+) and U(2+); however, several exothermic products which emerge from energetically favorable PEPs were not experimentally observed. The comparison between experiment and theory reveals that DFT can effectively exclude unfavorable reaction pathways, due to energetic barriers and/or endothermic products, and can predict energetic differences in similar reaction pathways for different ions. However, and not surprisingly, a simple evaluation of the PEP features is insufficient to reliably exclude energetically favorable pathways. The computed PEPs, which all proceed by insertion, were used to evaluate the relationship between the energetics of the bare Th(2+) and U(2+) ions and the energies for C-H and C-C activation. It was found that the computed energetics for insertion are entirely consistent with the empirical model which relates insertion efficiency to the

  6. Crystal structure of (1S,3R,8R,9R)-2,2-di-chloro-3,7,7-tri-methyl-10-methylenetri-cyclo-[6.4.0.0(1,3)]dodecan-9-ol.

    PubMed

    Benzalim, Ahmed; Auhmani, Aziz; Bimoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed

    2016-08-01

    The title compound, C16H24Cl2O, was synthesized by treating (1S,3R,8S,9R,10S)-2,2-di-chloro-3,7,7,10-tetra-methyl-9,10-ep-oxy-tri-cyclo-[6.4.0.0(1,3)]dodecane with a concentrated solution of hydro-bromic acid. It is built up from three fused rings: a cyclo-heptane ring, a cyclo-hexyl ring bearing alkene and hy-droxy substituents, and a cyclo-propane ring bearing two chlorine atoms. The asymmetric unit contains two mol-ecules linked by an O-H⋯O hydrogen bond. In the crystal, further O-H⋯O hydrogen bonds build up an R 4 (4)(8) cyclic tetra-mer. One of the mol-ecules presents disorder that affects the seven-membered ring. In both mol-ecules, the six-membered rings display a chair conformation, whereas the seven-membered rings display conformations inter-mediate between boat and twist-boat for the non-disordered mol-ecule and either a chair or boat and twist-boat for the disordered mol-ecule owing to the disorder. The absolute configuration for both mol-ecules is 1S,3R,8R,9R and was deduced from the chemical pathway and further confirmed by the X-ray structural analysis.

  7. 28 CFR 8.6 - Quick-release authority.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Quick-release authority. 8.6 Section 8.6 Judicial Administration DEPARTMENT OF JUSTICE FBI FORFEITURE AUTHORITY FOR CERTAIN STATUTES § 8.6 Quick-release authority. Where the forfeiture proceedings are administrative, the Special Agent in Charge,...

  8. 40 CFR 8.6 - Preliminary environmental review.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 1 2014-07-01 2014-07-01 false Preliminary environmental review. 8.6 Section 8.6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GENERAL ENVIRONMENTAL IMPACT ASSESSMENT OF NONGOVERNMENTAL ACTIVITIES IN ANTARCTICA § 8.6 Preliminary environmental review. (a) Unless...

  9. 40 CFR 8.6 - Preliminary environmental review.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 1 2012-07-01 2012-07-01 false Preliminary environmental review. 8.6 Section 8.6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GENERAL ENVIRONMENTAL IMPACT ASSESSMENT OF NONGOVERNMENTAL ACTIVITIES IN ANTARCTICA § 8.6 Preliminary environmental review. (a) Unless...

  10. 38 CFR 6.8 - Selection, revocation and election.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Selection, revocation and election. 6.8 Section 6.8 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS AFFAIRS UNITED STATES GOVERNMENT LIFE INSURANCE Optional Settlement § 6.8 Selection, revocation and election....

  11. 1 CFR 8.6 - Forms of publication.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 1 General Provisions 1 2012-01-01 2012-01-01 false Forms of publication. 8.6 Section 8.6 General... FEDERAL REGULATIONS § 8.6 Forms of publication. (a) Under section 1506 of title 44, United States Code, the Administrative Committee authorizes publication of the Code of Federal Regulations in...

  12. 1 CFR 8.6 - Forms of publication.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 1 General Provisions 1 2013-01-01 2012-01-01 true Forms of publication. 8.6 Section 8.6 General... FEDERAL REGULATIONS § 8.6 Forms of publication. (a) Under section 1506 of title 44, United States Code, the Administrative Committee authorizes publication of the Code of Federal Regulations in...

  13. 1 CFR 8.6 - Forms of publication.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 1 General Provisions 1 2014-01-01 2012-01-01 true Forms of publication. 8.6 Section 8.6 General... FEDERAL REGULATIONS § 8.6 Forms of publication. (a) Under section 1506 of title 44, United States Code, the Administrative Committee authorizes publication of the Code of Federal Regulations in...

  14. 28 CFR 8.6 - Quick-release authority.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 28 Judicial Administration 1 2012-07-01 2012-07-01 false Quick-release authority. 8.6 Section 8.6 Judicial Administration DEPARTMENT OF JUSTICE FBI FORFEITURE AUTHORITY FOR CERTAIN STATUTES § 8.6 Quick-release authority. Where the forfeiture proceedings are administrative, the Special Agent in Charge,...

  15. 28 CFR 8.6 - Quick-release authority.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 28 Judicial Administration 1 2011-07-01 2011-07-01 false Quick-release authority. 8.6 Section 8.6 Judicial Administration DEPARTMENT OF JUSTICE FBI FORFEITURE AUTHORITY FOR CERTAIN STATUTES § 8.6 Quick-release authority. Where the forfeiture proceedings are administrative, the Special Agent in Charge,...

  16. 16 CFR 1207.6-1207.8 - [Reserved

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 16 Commercial Practices 2 2012-01-01 2012-01-01 false 1207.6-1207.8 Section 1207.6-1207.8 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION CONSUMER PRODUCT SAFETY ACT REGULATIONS SAFETY STANDARD FOR SWIMMING POOL SLIDES §§ 1207.6-1207.8...

  17. 16 CFR 1207.6-1207.8 - [Reserved

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 16 Commercial Practices 2 2011-01-01 2011-01-01 false 1207.6-1207.8 Section 1207.6-1207.8 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION CONSUMER PRODUCT SAFETY ACT REGULATIONS SAFETY STANDARD FOR SWIMMING POOL SLIDES §§ 1207.6-1207.8...

  18. 16 CFR 1207.6-1207.8 - [Reserved

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 16 Commercial Practices 2 2014-01-01 2014-01-01 false 1207.6-1207.8 Section 1207.6-1207.8 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION CONSUMER PRODUCT SAFETY ACT REGULATIONS SAFETY STANDARD FOR SWIMMING POOL SLIDES §§ 1207.6-1207.8...

  19. 16 CFR 1207.6-1207.8 - [Reserved

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 16 Commercial Practices 2 2010-01-01 2010-01-01 false 1207.6-1207.8 Section 1207.6-1207.8 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION CONSUMER PRODUCT SAFETY ACT REGULATIONS SAFETY STANDARD FOR SWIMMING POOL SLIDES §§ 1207.6-1207.8...

  20. 16 CFR 1207.6-1207.8 - [Reserved

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 16 Commercial Practices 2 2013-01-01 2013-01-01 false 1207.6-1207.8 Section 1207.6-1207.8 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION CONSUMER PRODUCT SAFETY ACT REGULATIONS SAFETY STANDARD FOR SWIMMING POOL SLIDES §§ 1207.6-1207.8...

  1. 29 CFR 6.8 - Transmission of record.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 1 2011-07-01 2011-07-01 false Transmission of record. 6.8 Section 6.8 Labor Office of the Secretary of Labor RULES OF PRACTICE FOR ADMINISTRATIVE PROCEEDINGS ENFORCING LABOR STANDARDS IN FEDERAL AND FEDERALLY ASSISTED CONSTRUCTION CONTRACTS AND FEDERAL SERVICE CONTRACTS General § 6.8 Transmission of...

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    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 1 2014-07-01 2013-07-01 true Transmission of record. 6.8 Section 6.8 Labor Office of the Secretary of Labor RULES OF PRACTICE FOR ADMINISTRATIVE PROCEEDINGS ENFORCING LABOR STANDARDS IN FEDERAL AND FEDERALLY ASSISTED CONSTRUCTION CONTRACTS AND FEDERAL SERVICE CONTRACTS General § 6.8 Transmission of...

  3. 29 CFR 6.8 - Transmission of record.

    Code of Federal Regulations, 2013 CFR

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    ... 29 Labor 1 2013-07-01 2013-07-01 false Transmission of record. 6.8 Section 6.8 Labor Office of the Secretary of Labor RULES OF PRACTICE FOR ADMINISTRATIVE PROCEEDINGS ENFORCING LABOR STANDARDS IN FEDERAL AND FEDERALLY ASSISTED CONSTRUCTION CONTRACTS AND FEDERAL SERVICE CONTRACTS General § 6.8 Transmission of...

  4. 29 CFR 6.8 - Transmission of record.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 1 2012-07-01 2012-07-01 false Transmission of record. 6.8 Section 6.8 Labor Office of the Secretary of Labor RULES OF PRACTICE FOR ADMINISTRATIVE PROCEEDINGS ENFORCING LABOR STANDARDS IN FEDERAL AND FEDERALLY ASSISTED CONSTRUCTION CONTRACTS AND FEDERAL SERVICE CONTRACTS General § 6.8 Transmission of...

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    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Transmission of record. 6.8 Section 6.8 Labor Office of the Secretary of Labor RULES OF PRACTICE FOR ADMINISTRATIVE PROCEEDINGS ENFORCING LABOR STANDARDS IN FEDERAL AND FEDERALLY ASSISTED CONSTRUCTION CONTRACTS AND FEDERAL SERVICE CONTRACTS General § 6.8 Transmission of...

  6. 8 CFR 325.4 - Application; documents.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Application; documents. 325.4 Section 325.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY NATIONALITY REGULATIONS NATIONALS BUT NOT CITIZENS... chapter. (b) The applicant shall submit with the application: (1) A birth certificate or other evidence...

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    Code of Federal Regulations, 2012 CFR

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    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Application; documents. 316.4 Section 316.4 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY NATIONALITY REGULATIONS GENERAL REQUIREMENTS FOR... permanent resident by submitting the original evidence, issued by the Service, of lawful permanent...

  8. 8 CFR 1101.4 - Registration procedure.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Registration procedure. 1101.4 Section 1101... REGULATIONS PRESUMPTION OF LAWFUL ADMISSION § 1101.4 Registration procedure. The procedure for an application... a person eligible for presumption of lawful admission for permanent residence under § 1101.1...

  9. 8 CFR 1240.4 - Incompetent respondents.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false Incompetent respondents. 1240.4 Section 1240.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PROCEEDINGS TO DETERMINE REMOVABILITY OF ALIENS IN THE UNITED STATES...

  10. 8 CFR 1240.4 - Incompetent respondents.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false Incompetent respondents. 1240.4 Section 1240.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PROCEEDINGS TO DETERMINE REMOVABILITY OF ALIENS IN THE UNITED STATES...

  11. 8 CFR 1240.4 - Incompetent respondents.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Incompetent respondents. 1240.4 Section 1240.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PROCEEDINGS TO DETERMINE REMOVABILITY OF ALIENS IN THE UNITED STATES...

  12. 8 CFR 1240.4 - Incompetent respondents.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Incompetent respondents. 1240.4 Section 1240.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PROCEEDINGS TO DETERMINE REMOVABILITY OF ALIENS IN THE UNITED STATES...

  13. 8 CFR 1240.4 - Incompetent respondents.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Incompetent respondents. 1240.4 Section 1240.4 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS PROCEEDINGS TO DETERMINE REMOVABILITY OF ALIENS IN THE UNITED STATES...

  14. Atmospheric abundance and global emissions of perfluorocarbons CF4, C2F6 and C3F8 since 1800 inferred from ice core, firn, air archive and in situ measurements

    NASA Astrophysics Data System (ADS)

    Trudinger, Cathy M.; Fraser, Paul J.; Etheridge, David M.; Sturges, William T.; Vollmer, Martin K.; Rigby, Matt; Martinerie, Patricia; Mühle, Jens; Worton, David R.; Krummel, Paul B.; Steele, L. Paul; Miller, Benjamin R.; Laube, Johannes; Mani, Francis S.; Rayner, Peter J.; Harth, Christina M.; Witrant, Emmanuel; Blunier, Thomas; Schwander, Jakob; O'Doherty, Simon; Battle, Mark

    2016-09-01

    Perfluorocarbons (PFCs) are very potent and long-lived greenhouse gases in the atmosphere, released predominantly during aluminium production and semiconductor manufacture. They have been targeted for emission controls under the United Nations Framework Convention on Climate Change. Here we present the first continuous records of the atmospheric abundance of CF4 (PFC-14), C2F6 (PFC-116) and C3F8 (PFC-218) from 1800 to 2014. The records are derived from high-precision measurements of PFCs in air extracted from polar firn or ice at six sites (DE08, DE08-2, DSSW20K, EDML, NEEM and South Pole) and air archive tanks and atmospheric air sampled from both hemispheres. We take account of the age characteristics of the firn and ice core air samples and demonstrate excellent consistency between the ice core, firn and atmospheric measurements. We present an inversion for global emissions from 1900 to 2014. We also formulate the inversion to directly infer emission factors for PFC emissions due to aluminium production prior to the 1980s. We show that 19th century atmospheric levels, before significant anthropogenic influence, were stable at 34.1 ± 0.3 ppt for CF4 and below detection limits of 0.002 and 0.01 ppt for C2F6 and C3F8, respectively. We find a significant peak in CF4 and C2F6 emissions around 1940, most likely due to the high demand for aluminium during World War II, for example for construction of aircraft, but these emissions were nevertheless much lower than in recent years. The PFC emission factors for aluminium production in the early 20th century were significantly higher than today but have decreased since then due to improvements and better control of the smelting process. Mitigation efforts have led to decreases in emissions from peaks in 1980 (CF4) or early-to-mid-2000s (C2F6 and C3F8) despite the continued increase in global aluminium production; however, these decreases in emissions appear to have recently halted. We see a temporary reduction of around

  15. 2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine: a structure with Z' = 4 containing two different molecular conformations and two independent chains of hydrogen-bonded R(2)2(8) rings.

    PubMed

    Quesada, Antonio; Fontecha, Maria A; López, Maria V; Low, John N; Glidewell, Christopher

    2008-08-01

    The title compound (trivial name terbutylazine), C(9)H(16)ClN(5), (I), crystallizes with Z' = 4 in the space group Pca2(1), and equal numbers of molecules adopt two different conformations for the ethylamine groups. The four independent molecules form two approximately enantiomorphic pairs. Eight independent N-H...N hydrogen bonds link the molecules into two independent chains of R(2)(2)(8) rings, in which the arrangement of the alkylamine substituents in the independent molecules precludes any further crystallographic symmetry. The significance of this study lies in its finding of two distinct molecular conformations within the structure and two distinct ways in which the molecules are organized into hydrogen-bonded chains, and in its comparison of the hydrogen-bonded structure of (I) with those of analogous 1,3,5-triazines and pyrimidines.

  16. 5-Amino-3-eth­oxy-1,8,8-trimethyl-2-aza­bicyclo­[2.2.2]octa-2,5-diene-4,6-dicarbo­nitrile

    PubMed Central

    Chantrapromma, Suchada; Suwunwong, Thitipone; Ruanwas, Pumsak; Boonnak, Nawong; Fun, Hoong-Kun

    2012-01-01

    The title 2-aza­bicyclo­[2.2.2]octa-2,5-diene derivative, C14H18N4O, crystallized out with two independent mol­ecules with similar conformations in the asymmetric unit. In each mol­ecule, the three six-membered rings adopt boat conformations. The mol­ecules exist in the enamine form. In the crystal, mol­ecules are linked by N—H⋯O and N—H⋯N hydrogen bonds into a two-dimensional network parallel to the ab plane. PMID:22969511

  17. Er0.4Bi1.6O3-δ - La0.8Sr0.2MnO3-δ nano-composite as a low-temperature firing cathode of solid oxide fuel cell

    NASA Astrophysics Data System (ADS)

    Kim, Sun Jae; Dayaghi, Amir Masoud; Kim, Kun Joong; Choi, Gyeong Man

    2017-03-01

    Er0.4Bi1.6O3-δ (ESB) composited with La0.8Sr0.2MnO3-δ (LSM) (2:3 or 3:2 wt:wt) with a bonding aid to decrease firing temperature TF are screen-printed on symmetric single cells composed of a Gd0.2Ce0.8O2-δ (GDC) interlayer/yttria-stabilized zirconia (YSZ) electrolyte/GDC interlayer, and their impedance spectra are compared. Addition of 5 wt % CuO to ESB-LSM (3:2 wt:wt) decreases the cathode TF to 650 °C without increasing cathodic polarization resistance (Rp ∼0.19 Ω cm2 at 650 °C). This ESB-LSM composite can be used as a cathode that can be fired at low temperature.

  18. Structurally Flexible and Solution Stable [Ln4TM8(OH)8(L)8(O2CR)8(MeOH)y](ClO4)4: A Playground for Magnetic Refrigeration.

    PubMed

    Hooper, Thomas N; Inglis, Ross; Lorusso, Giulia; Ujma, Jakub; Barran, Perdita E; Uhrin, Dusan; Schnack, Jürgen; Piligkos, Stergios; Evangelisti, Marco; Brechin, Euan K

    2016-10-17

    The family of compounds of general formula [Ln(III)4TM(II)8(OH)8(L)8(O2CR)8(MeOH)y](ClO4)4 {[Gd4Zn8(OH)8(hmp)8(O2C(i)Pr)8](ClO4)4 (1a); [Y4Zn8(OH)8(hmp)8(O2C(i)Pr)8](ClO4)4 (1b); [Gd4Cu8(OH)8(hmp)8(O2C(i)Pr)8](ClO4)4 (2a); [Y4Cu8(OH)8(hmp)8(O2C(i)Pr)8](ClO4)4 (2b); [Gd4Cu8(OH)8(hep)8(O2C(i)Pr)8](ClO4)4 (3a); [Gd4Cu8(OH)8(Hpdm)8(O2C(t)Bu)8](ClO4)4 (4a); [Gd4Cu8(OH)8(ea)8(O2CMe)8](ClO4)4 (5a); [Gd4Ni8(OH)8(hmp)8(O2CEt)8(MeOH)6](ClO4)4 (6a); [Y4Ni8(OH)8(hmp)8(O2CEt)8(MeOH)6](ClO4)4 (6b); [Gd4Co8(OH)8(hmp)8(O2CEt)8(MeOH)6](ClO4)4 (7a); [Y4Co8(OH)8(hmp)8(O2CEt)8(MeOH)6](ClO4)4 (7b)} can be formed very simply and in high yields from the reaction of Ln(NO3)3·6H2O and TM(ClO4)2·6H2O and the appropriate ligand blend in a mixture of CH2Cl2 and MeOH in the presence of a suitable base. Remarkably, almost all the constituent parts, namely the lanthanide (or rare earth) ions Ln(III) (here Ln = Gd or Y), the transition metal ions TM(II) (here TM = Zn, Cu, Ni, Co), the bridging ligand L (Hhmp = 2-(hydroxymethyl)pyridine; Hhep = 2-(hydroxyethyl)pyridine; H2pdm = pyridine-2,6-dimethanol; Hea = 2-ethanolamine), and the carboxylates can be exchanged while maintaining the structural integrity of the molecule. NMR spectroscopy of diamagnetic complex 1b reveals the complex to be fully intact in solution with all signals from the hydroxide, ligand L, and the carboxylates equivalent on the NMR time scale, suggesting the complex possesses greater symmetry in solution than in the solid state. High resolution nano-ESI mass spectrometry on dichloromethane solutions of 2a and 2b shows both complexes are present in two charge states with little fragmentation; with the most intense peak in each spectrum corresponding to [Ln4Cu8(OH)8(hmp)8(O2C(i)Pr)8](ClO4)2(2+). This family of compounds offers an excellent playground for probing how the magnetocaloric effect evolves by introducing either antiferromagnetic or ferromagnetic interactions, or magnetic anisotropy, by substituting the nonmagnetic Zn

  19. Crystal structure and computational study of 3,4-dihy­droxy-3-hy­droxy­methyl-9-methyl-6-methyl­idene-3a,4,5,6,6a,9,9a,9b-octa­hydro­azuleno[4,5-b]furan-2,8(3H,7H)-dione

    PubMed Central

    Çelik, Ísmail; Akkurt, Mehmet; Akşit, Hüseyin; Erenler, Ramazan; García-Granda, Santiago

    2015-01-01

    In the mol­ecule of title compound, C15H20O6, also known as cynarinin A, the cyclo­pentane ring having twist conformation and a γ-lactone ring assuming an envelope conformation are trans- and cis-fused, respectively, to a cyclo­heptane ring adopting a twist-chair conformation. In the crystal, O—H⋯O hydrogen bonds link neighbouring mol­ecules, forming a three-dimensional network. Theoretical calculations of the mol­ecular structure using the CNDO approximation and MOPAC PM3 geometry optimization are in satisfactory agreement with the results of the X-ray structure analysis. PMID:26870396

  20. Toxicology and carcinogenesis studies of a mixture of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) (Cas No. 1746-01-6), 2,3,4,7,8-pentachlorodibenzofuran (PeCDF) (Cas No. 57117-31-4), and 3,3',4,4',5-pentachlorobiphenyl (PCB 126) (Cas No. 57465-28-8) in female Harlan Sprague-Dawley rats (gavage studies).

    PubMed

    2006-09-01

    DIOXIN TOXIC EQUIVALENCY FACTOR EVALUATION OVERVIEW: Polyhalogenated aromatic hydrocarbons such as 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) have the ability to bind to and activate the ligand-activated transcription factor, the aryl hydrocarbon receptor (AhR). Structurally related compounds that bind to the AhR and exhibit biological actions similar to TCDD are commonly referred to as "dioxin-like compounds" (DLCs). Ambient human exposure to DLCs occurs through the ingestion of foods containing residues of DLCs that bioconcentrate through the food chain. Due to their lipophilicity and persistence, once internalized, they accumulate in body tissues, mainly adipose, resulting in chronic lifetime human exposure. Since human exposure to DLCs always involves a complex mixture, the toxic equivalency factor (TEF) methodology has been developed as a mathematical tool to assess the health risk posed by complex mixtures of these compounds. The TEF methodology is a relative potency scheme that ranks the dioxin-like activity of a compound relative to TCDD, which is the most potent congener. This allows for the estimation of the potential dioxin-like activity of a mixture of chemicals, based on a common mechanism of action involving an initial binding of DLCs to the AhR. The toxic equivalency of DLCs was nominated for evaluation because of the widespread human exposure to DLCs and the lack of data on the adequacy of the TEF methodology for predicting relative potency for cancer risk. To address this, the National Toxicology Program conducted a series of 2-year bioassays in female Harlan Sprague-Dawley rats to evaluate the chronic toxicity and carcinogenicity of DLCs and structurally related polychlorinated biphenyls (PCBs) and mixtures of these compounds. 2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD), 2,3,4,7,8-pentachlorodibenzofuran (PeCDF), and 3,3',4,4',5-pentachlorobiphenyl (PCB 126) are not manufactured commercially other than for scientific research purposes. The main

  1. Ethyl 4-(5-bromo-2-hy-droxy-phen-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

    PubMed

    Kurbanova, Malahat M; Huseynov, Elnur Z; Gurbanov, Atash V; Maharramov, Abel M; Kia, Reza

    2013-04-01

    In the title compound, C21H24BrNO4, the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, mol-ecules are linked by N-H⋯O inter-actions, forming chains parallel to [101]. There are no significant C-H⋯π or π-π inter-actions in the crystal structure.

  2. Novel Dy{sup 3+}-doped Ca{sub 2}Gd{sub 8}(SiO{sub 4}){sub 6}O{sub 2} white light phosphors for Hg-free lamps application

    SciTech Connect

    Wang, Yuhua; Wen, Yan; Zhang, Feng

    2010-11-15

    The luminescent properties of Ca{sub 2}Gd{sub 8(1-x)}(SiO{sub 4}){sub 6}O{sub 2}:xDy{sup 3+} (1% {<=} x {<=} 5%) powder crystals with oxyapatite structure were investigated under vacuum ultraviolet excitation. In the excitation spectrum, the peaks at 166 nm and 191 nm of the vacuum ultraviolet region can be assigned to the O{sup 2-} {yields} Gd{sup 3+}, and O{sup 2-} {yields} Dy{sup 3+} charge transfer band respectively, which is consistent with the theoretical calculated value using J{phi}rgensen's empirical formula. While the peaks at 183 nm and 289 nm are attributed to the f-d spin-allowed transitions and the f-d spin-forbidden transitions of Dy{sup 3+} in the host lattice with Dorenbos's expression. According to the emission spectra, all the samples exhibited excellent white emission under 172 nm excitation and the best calculated chromaticity coordinate was 0.335, 0.338, which indicates that the Ca{sub 2}Gd{sub 8}(SiO{sub 4}){sub 6}O{sub 2}:Dy{sup 3+} phosphor could be considered as a potential candidate for Hg-free lamps application.

  3. Crystal structure of 2,9-diphenyl-17λ(6)-thia-tetra-cyclo-[8.7.0.0(3,8).0(11,16)]hepta-deca-1(10),2,4,6,8,11(16),12,14-octa-ene-17,17-dione.

    PubMed

    Gopinath, S; Narayanan, P; Sethusankar, K; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K

    2014-09-01

    The title compound, C28H18O2S, is composed of a naphthalene ring system fused with a benzo-thio-phene ring and attached to two phenyl rings. The phenyl rings make dihedral angles of 70.92 (8) and 79.23 (8)° with the essentially planar naphthalene ring system (r.m.s. deviation = 0.031 Å). There is an intra-molecular C-H⋯π inter-action present. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds which generate C(7) zigzag chains running parallel to [10-1]. The chains are linked via further C-H⋯π inter-actions, forming a three-dimensional structure.

  4. 8.6Mb interstitial deletion of chromosome 4q13.3q21.23 in a boy with cognitive impairment, short stature, hearing loss, skeletal abnormalities and facial dysmorphism.

    PubMed

    Lipska, B S; Brzeskwiniewicz, M; Wierzba, J; Morzuchi, L; Piotrowski, A; Limon, J

    2011-01-01

    We describe a 16-year-old boy with an 8.6Mb interstitial deletion of chromosome 4q 13.3q21.23 identified by oligo array-CGH. The patient presents psychomotor developmental delay, absent speech, marked progressive growth restriction, hearing loss, skeletal defects and minor facial anomalies. The patient required surgical treatment for cleft lip and palate, bilateral cryptorchidism and a neurofibroma. The analysis of the presented patient against previously published cases allowed us to expand further on the phenotype and to reevaluate previously proposed critical overlapping region at 4q21. As an addition to PRKG2 and RASGEFIB genes, we propose to include BMP3 gene as the principal determinant of the observed common phenotype. BMP3 haploinsufficiency appears to be causative of hearing loss and peculiar skeletal abnormalities including hemivertebrae and brachydactyly.

  5. Efficient Catalyst One-Pot Synthesis of 7-(Aryl)-10,10-dimethyl-10,11-dihydrochromeno[4,3-b]chromene-6,8(7H,9H)-dione Derivatives Complemented by Antibacterial Activity

    PubMed Central

    Al-Majedy, Yasameen K.; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar

    2016-01-01

    The problem of bacteria resistance to many known agents has inspired scientists and researchers to discover novel efficient antibacterial drugs. Three rapid, clean, and highly efficient methods were developed for one-pot synthesis of 7-(aryl)-10,10-dimethyl-10,11-dihydrochromeno[4,3-b]chromene-6,8(7H,9H)-dione derivatives. Three components are condensed in the synthesis, 4-hydroxycoumarin, 5,5-dimethyl-1,3-cyclohexanedione, and aromatic aldehydes, using tetrabutylammonium bromide (TBAB), diammonium hydrogen phosphate (DAHP), or ferric chloride (FeCl3), respectively. Each method has different reaction mechanisms according to the catalyst. The present methods have advantages, including one-pot synthesis, excellent yields, short reaction times, and easy isolation of product. All catalysts utilized in our study could be reused several times without losing their catalytic efficiency. All synthesized compounds were fully characterized and evaluated for their antibacterial activity. PMID:27563671

  6. Insight into the structures of [M(C(5)H(4)I)(CO)(3)] and [M(2)(C(12)H(8))(CO)(6)] (M = Mn and Re) containing strong I...O and pi(CO)-pi(CO) interactions.

    PubMed

    Romanov, Alexander S; Mulroy, Joseph M; Antipin, Mikhail Yu; Timofeeva, Tatiana V

    2009-11-01

    The compounds tricarbonyl(eta(5)-1-iodocyclopentadienyl)manganese(I), [Mn(C(5)H(4)I)(CO)(3)], (I), and tricarbonyl(eta(5)-1-iodocyclopentadienyl)rhenium(I), [Re(C(5)H(4)I)(CO)(3)], (III), are isostructural and isomorphous. The compounds [mu-1,2(eta(5))-acetylenedicyclopentadienyl]bis[tricarbonylmanganese(I)] or bis(cymantrenyl)acetylene, [Mn(2)(C(12)H(8))(CO)(6)], (II), and [mu-1,2(eta(5))-acetylenedicyclopentadienyl]bis[tricarbonylrhenium(I)], [Re(2)(C(12)H(8))(CO)(6)], (IV), are isostructural and isomorphous, and their molecules display inversion symmetry about the mid-point of the ligand C[triple-bond]C bond, with the (CO)(3)M(C(5)H(4)) (M = Mn and Re) moieties adopting a transoid conformation. The molecules in all four compounds form zigzag chains due to the formation of strong attractive I...O [in (I) and (III)] or pi(CO)-pi(CO) [in (I) and (IV)] interactions along the crystallographic b axis. The zigzag chains are bound to each other by weak intermolecular C-H...O hydrogen bonds for (I) and (III), while for (II) and (IV) the chains are bound to each other by a combination of weak C-H...O hydrogen bonds and pi(Csp(2))-pi(Csp(2)) stacking interactions between pairs of molecules. The pi(CO)-pi(CO) contacts in (II) and (IV) between carbonyl groups of neighboring molecules, forming pairwise interactions in a sheared antiparallel dimer motif, are encountered in only 35% of all carbonyl interactions for transition metal-carbonyl compounds.

  7. Layered Structures and Disordered Polyanionic Nets in the Cation-Poor Polar Intermetallics CsAu 1.4 Ga 2.8 and CsAu 2 Ga 2.6

    SciTech Connect

    Smetana, Volodymyr; Steinberg, Simon; Mudring, Anja-Verena

    2016-12-27

    Gold intermetallics are known for their unusual structures and bonding patterns. Two new compounds have been discovered in the cation-poor part of the Cs–Au–Ga system. We obtained both compounds directly by heating the elements at elevated temperatures. Structure determinations based on single-crystal X-ray diffraction analyses revealed two structurally and compositionally related formations: CsAu1.4Ga2.8 (I) and CsAu2Ga2.6 (II) crystallize in their own structure types (I: R$\\bar{3}$, a = 11.160(2) Å, c = 21.706(4) Å, Z = 18; II: R$\\bar{3}$, a = 11.106(1) Å, Å, c = 77.243(9) Å, Z = 54) and contain hexagonal cationic layers of cesium. Furthermore, this is a unique structural motif, which has never been observed for the other (lighter) alkali metals in combination with Au and post transition elements. The polyanionic part is characterized in contrast by Au/Ga tetrahedral stars, a structural feature that is characteristic for light alkali metal representatives, and disordered sites with mixed Au/Ga occupancies that occur in both structures with a more significant disorder in the polyanionic component of CsAu2Ga2.6. Examinations of the electronic band structure for a model approximating the composition of CsAu1.4Ga2.8 have been completed using density-functional-theory-based methods and reveal a deep pseudogap at EF. Bonding analysis by evaluating the crystal orbital Hamilton populations show dominant heteroatomic Au–Ga bonds and only a negligible contribution from Cs pairs.

  8. Layered Structures and Disordered Polyanionic Nets in the Cation-Poor Polar Intermetallics CsAu 1.4 Ga 2.8 and CsAu 2 Ga 2.6

    DOE PAGES

    Smetana, Volodymyr; Steinberg, Simon; Mudring, Anja-Verena

    2016-12-27

    Gold intermetallics are known for their unusual structures and bonding patterns. Two new compounds have been discovered in the cation-poor part of the Cs–Au–Ga system. We obtained both compounds directly by heating the elements at elevated temperatures. Structure determinations based on single-crystal X-ray diffraction analyses revealed two structurally and compositionally related formations: CsAu1.4Ga2.8 (I) and CsAu2Ga2.6 (II) crystallize in their own structure types (I: Rmore » $$\\bar{3}$$, a = 11.160(2) Å, c = 21.706(4) Å, Z = 18; II: R$$\\bar{3}$$, a = 11.106(1) Å, Å, c = 77.243(9) Å, Z = 54) and contain hexagonal cationic layers of cesium. Furthermore, this is a unique structural motif, which has never been observed for the other (lighter) alkali metals in combination with Au and post transition elements. The polyanionic part is characterized in contrast by Au/Ga tetrahedral stars, a structural feature that is characteristic for light alkali metal representatives, and disordered sites with mixed Au/Ga occupancies that occur in both structures with a more significant disorder in the polyanionic component of CsAu2Ga2.6. Examinations of the electronic band structure for a model approximating the composition of CsAu1.4Ga2.8 have been completed using density-functional-theory-based methods and reveal a deep pseudogap at EF. Bonding analysis by evaluating the crystal orbital Hamilton populations show dominant heteroatomic Au–Ga bonds and only a negligible contribution from Cs pairs.« less

  9. 6. Photocopy of drawing. (This drawing is an 8' x ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    6. Photocopy of drawing. (This drawing is an 8' x 10' enlargement from a 4' x 5' negative; 1942 drawing titled 'Mess Halls; Types M-B-T, M-C-T, M-D-T, M-E-T, M-G-T, M-H-T, M-I-T, M-K-T, M-L-T, M-M-T & M-N-T; Electrical,' Plan No. T.O. 700-6601, located at Directorate of Engineering and Housing, Fort McPherson.) - Fort McPherson, World War II Station Hospital, G. U. Treatment Unit Mess Hall, Thorne & Hood Avenues, Atlanta, Fulton County, GA

  10. Performances of YBaCo1.4Cu0.6O5+δ–Ce0.8Sm0.2O1.9 composite cathodes for intermediate-temperature solid oxide fuel cells

    DOE PAGES

    Wang, Lizhong; Peng, Lu; Hu, Michael Z.; ...

    2015-08-20

    In this paper, the electrochemical properties of YBaCo1.4Cu0.6O5+δ–xCe0.8Sm0.2O1.9 (YBCC–xSDC, x=20, 30, 40, 50 wt%) have been investigated for the potential application in intermediate-temperature solid oxide fuel cells (IT-SOFCs). No chemical reactions between YBCC cathode and SDC electrolyte, and YBCC and La0.9Sr0.1Ga0.8Mg0.2O3-δ (LSGM) occur. The thermal expansion coefficient (TEC) of YBCC cathode decreases with SDC addition. The TEC of YBCC–30SDC cathode is 13.60×10–6 K-1 from 30 to 850 °C in air and it exhibits the best electrochemical performance among the YBCC–xSDC cathodes. The polarization resistance (Rp) of YBCC–30SDC is 0.027 Ω cm2 at 850 °C, 0.044 Ω cm2 at 800 °Cmore » and 0.075 Ω cm2 at 750 °C. The maximum power density value of electrolyte-based cell with YBCC–30SDC cathode is 662, 483 and 319 mW cm-2 at 850, 800 and 750 °C, respectively. Finally, preliminary results indicate that YBCC–30SDC is especially promising as a cathode for IT-SOFCs.« less

  11. Thermodynamic data of Ba{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} SOFC cathode material

    SciTech Connect

    Botea-Petcu, A.; Tanasescu, S.; Varazashvili, V.; Lejava, N.; Machaladze, T.; Khundadze, M.; Maxim, F.; Teodorescu, F.; Martynczuk, J.; Yáng, Z.; Gauckler, L.J.

    2014-09-15

    Graphical abstract: Partial molar energy of oxygen dissolution (ΔG{sup −}{sub O{sub 2}}) and equilibrium partial pressure of oxygen (log⁡p{sub O{sub 2}}) of perovskite material with the composition Ba{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} as a function of temperature. - Highlights: • We report relevant data for thermodynamic stability of Ba{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} perovskite compound. • Temperature of structural transformations related to the charge compensation of the material system is evidenced. • The results are discussed based on the properties-defect structure relationship. - Abstract: The compound Ba{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} with perovskite structure has been studied focusing mainly on the thermodynamic stability in correlation to the change in the oxygen stoichiometry. The thermochemical behavior has been investigated from room temperature to 1300 K by thermal gravimetry and differential thermal analysis in air and by calorimetry in scanning mode in Argon. The temperature dependence of enthalpy (ΔH{sup T}{sub 298}) in the temperature range of 300–900 K was measured by drop calorimetry. Thermodynamic properties represented by the relative partial molar free energies, enthalpies and entropies of oxygen dissolution in the perovskite phase, as well as the equilibrium partial pressures of oxygen have been obtained in the temperature range of 823–1273 K using solid electrolyte electrochemical cells (EMF). The influence of the oxygen stoichiometry on the thermodynamic properties was examined using a coulometric titration technique coupled with EMF measurements. The results are discussed based on the strong correlation between the energetic parameters and the charge compensation of the material system.

  12. National Ignition Facility subsystem design requirements target area auxiliary subsystem SSDR 1.8.6

    SciTech Connect

    Reitz, T.

    1996-10-20

    This Subsystem Design Requirement (SSDR) establishes the performance, design, development, and test requirements for the Target Area Auxiliary Subsystems (WBS 1.8.6), which is part of the NIF Target Experimental System (WBS 1.8). This document responds directly to the requirements detailed in NIF Target Experimental System SDR 003 document. Key elements of the Target Area Auxiliary Subsystems include: WBS 1.8.6.1 Local Utility Services; WBS 1.8.6.2 Cable Trays; WBS 1.8.6.3 Personnel, Safety, and Occupational Access; WBS 1.8.6.4 Assembly, Installation, and Maintenance Equipment; WBS 1.8.6.4.1 Target Chamber Service System; WBS 1.8.6.4.2 Target Bay Service Systems.

  13. Spectroscopy behavior of 6-Mercaptopurine, Azathiopurine, and 8-Azaguanine

    NASA Astrophysics Data System (ADS)

    Chuan, Dong; Li-hua, Ding; Yu-xia, Wei; Jun-fen, Li; Yan-li, Wei

    2003-11-01

    A comparative study, luminescence behavior of 6-Mercaptopurine (6-MP), Azathiopurine (BAN), and 8-Azaguanine (8-Azan) have been investigated including the low temperature phosphorescence, the low temperature fluorescence, the room temperature phosphorescence (RTP) and the room temperature fluorescence (RTF). The effect of pH on the luminescence intensity is discussed. Analytical characteristics of RTF and RTP of 6-MP, BAN, and 8-Azan have been studied. The lifetime of phosphorescence and the polarity of RTF and RTP have been examined.

  14. Critical behavior and magnetic entropy change in the La0.6Sr0.4Mn0.8Fe0.1Cr0.1O3 perovskite

    NASA Astrophysics Data System (ADS)

    Ben Abdelkhalek, Sonia; Kallel, Nabil; Kallel, Sami; Peña, Octavio; Oumezzine, Mohamed

    2012-11-01

    Critical behavior in the La0.6Sr0.4Mn0.8Fe0.1Cr0.1O3 ceramics was studied using magnetization methods. Results show that the paramagnetic-ferromagnetic transition is of second order. Based on the critical behavior analysis using the Banerjee criterion and the Kouvel-Fisher method, we find the critical exponents: β=0.395±0.010, γ=1.402±0.010, and δ=5.208±0.007, for which the magnetic interaction is satisfied within the three-dimensional Heisenberg model. Results indicate the presence of short-range interactions. The magnetic entropy change (-ΔSM) reached maximum values of 1.75, 1.45, 1.15, 0.8 and 0.43 J Kg-1 K-1 under a magnetic field variation of 5, 4, 3, 2 and 1 T, respectively. Nevertheless, these (-ΔSM) values are much low for any potential application at this moment. The nature of this phenomenon is discussed in relation to the characteristics of the magnetic phase transition and critical exponents.

  15. Bulk modulus of basic sodalite, Na{sub 8}[AlSiO{sub 4}]{sub 6}(OH){sub 2}.2H{sub 2}O, a possible zeolitic precursor in coal-fly-ash-based geopolymers

    SciTech Connect

    Oh, Jae Eun; Moon, Juhyuk; Mancio, Mauricio; Clark, Simon M.; Monteiro, Paulo J.M.

    2011-01-15

    Synthetic basic sodalite, Na{sub 8}[AlSiO{sub 4}]{sub 6}(OH){sub 2}.2H{sub 2}O, cubic, P43n, (also known as hydroxysodalite hydrate) was prepared by the alkaline activation of amorphous aluminosilicate glass, obtained from the phase separation of Class F fly ash. The sample was subjected to a process similar to geopolymerization, using high concentrations of a NaOH solution at 90 {sup o}C for 24 hours. Basic sodalite was chosen as a representative analogue of the zeolite precursor existing in Na-based Class F fly ash geopolymers. To determine its bulk modulus, high-pressure synchrotron X-ray powder diffraction was applied using a diamond anvil cell (DAC) up to a pressure of 4.5 GPa. A curve-fit with a truncated third-order Birch-Murnaghan equation of state with a fixed K'{sub o} = 4 to pressure-normalized volume data yielded the isothermal bulk modulus, K{sub o} = 43 {+-} 4 GPa, indicating that basic sodalite is more compressible than sodalite, possibly due to a difference in interactions between the framework host and the guest molecules.

  16. Long-Term Corrosion Testing of Thermal Spray Coatings of Amorphous Metals: Fe49.7Cr17.7Mn1.9Mo7.4W1.6B15.2C3.8Si2.4 and Fe48Mo14Cr15Y2C15B6

    SciTech Connect

    Farmer, J; Day, D; Lian, T; Saw, C; Hailey, P; Payer, J; Aprigliano, L; Beardsley, B; Branagan, D

    2007-07-09

    Amorphous alloys identified as SAM2X5 (Fe{sub 49.7}Cr{sub 17.7}Mn{sub 1.9}Mo{sub 7.4}W{sub 1.6}B{sub 15.2}C{sub 3.8}Si{sub 2.4}) and SAM1651 (Fe{sub 48}Mo{sub 14}Cr{sub 15}Y{sub 2}C{sub 15}B{sub 6}) have been produced as melt-spun ribbons, drop-cast ingots and thermal-spray coatings. Chromium (Cr), molybdenum (Mo) and tungsten (W) additions provided corrosion resistance, while boron (B) enabled glass formation. Earlier electrochemical studies of melt-spun ribbons and ingots of these amorphous alloys demonstrated outstanding passive film stability. More recently thermal-spray coatings of these amorphous alloys have been made and subjected to long-term salt-fog and immersion tests. Good corrosion resistance has been observed during salt-fog testing. Corrosion rates were measured in situ with linear polarization, while simultaneously monitoring the open-circuit corrosion potentials. Reasonably good performance was observed. The sensitivity of these measurements to electrolyte composition and temperature was determined. The high boron content of SAM2X5 also made it an effective neutron absorber, and suitable for criticality control applications.

  17. Dentin is dissolved by high concentrations of L-ascorbic acid 2-[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl-hydrogen phosphate] potassium salt with or without hydrogen peroxide.

    PubMed

    Kozuka, Masahiro; Tsujimoto, Yasuhisa

    2004-06-01

    L-Ascorbic acid 2-[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl-hydrogen phosphate] potassium salt (EPC-K(1)) is a conjugate of vitamin C and vitamin E that is water-soluble and stable at room temperature. EPC-K(1) has been developed as a hydroxyl radical (.OH) scavenger and antioxidant. In a previous tooth whitening experiment, it was accidentally found that tooth (dentin) blocks were dissolved by EPC-K(1) with H(2)O(2). In the current study, high concentrations of EPC-K(1) (2.5, 25 mM) with 3% H(2)O(2) dissolved and caused the collapse of dentin blocks. Similar concentrations of EPC-K(1) without 3% H(2)O(2), however, dissolved the dentin blocks without collapse over a 3-week period. In these cases, a.OH-like signal was detected using an ESR spin-trapping method. The volume of calcium in solution (including the dentin block) increased on the addition of EPC-K(1) in a concentration-dependent manner. In addition, the calcium : phosphorus ratio changed from 2 : 1 in sound dentin to 1 : 2 in the collapsed dentin block. High concentrations of EPC-K(1) are therefore considered to have calcium chelating and dentin dissolving activity. The dentin dissolving activity was enhanced when EPC-K(1) was used with H(2)O(2). EPC-K(1) had no protective effect when used in tooth whitening with H(2)O(2).

  18. 6. Historic American Buildings Survey Alex Bush, Photographer, January 8, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    6. Historic American Buildings Survey Alex Bush, Photographer, January 8, 1937 INTERIOR VIEW OF FRONT ENTRANCE - Wilcox County Courthouse, Broad, Claiborne, Court & Water Streets, Camden, Wilcox County, AL

  19. Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate.

    PubMed

    Schutte-Smith, Marietjie; Muller, Theunis J; Visser, Hendrik G; Roodt, Andreas

    2013-12-15

    The Re(I) centres of two Re(I)-tricarbonyl complexes, viz. tricarbonyl(pyridine-κN){5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olato-κ(2)N(1),O}rhenium(I), [Re(C23H21N4O)(CO)3], (I), and {5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olato-κ(2)N(1),O}tricarbonyl(pyridine-κN)rhenium(I), [Re(C28H23N6O)(CO)3], (II), are facially surrounded by three carbonyl ligands, a pyridine ligand and either a 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate [in (I)] or a 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate [in (II)] ligand, in a slightly distorted octahedral environment. The crystal structure of (I) is stabilized by two intermolecular C-H···O interactions and that of (II) is stabilized by three intermolecular C-H···O hydrogen-bonding interactions.

  20. Measurements of negative ion densities in 13.56-MHz rf plasmas of CF4, C2F6, CHF3, and C3F8 using microwave resonance and the photodetachment effect

    NASA Astrophysics Data System (ADS)

    Haverlag, M.; Kono, A.; Passchier, D.; Kroesen, G. M. W.; Goedheer, W. J.; de Hoog, F. J.

    1991-10-01

    The high-power density of a frequency quadrupled pulsed Nd-YAG laser has been used to photodetach electrons from negative ions in rf plasmas generated within a microwave cavity. Negative ion densities have been determined by measuring the frequency shift of the resonance transmission, the shift being caused by the photoelectrons created by irradiating the plasma with the laser pulse. By measurement of the shape of the resonance curve as a function of time and of microwave frequency, and consecutive fitting of a parabola to the top of the resonance curve, the negative ion density has been determined as a function of gas pressure, rf power, and position in the plasma. Measurements were performed in plasmas of CF4, C2F6, CHF3, and C3F8. The results indicate that the negative ion densities are about one order of magnitude larger than the electron density, which is in good agreement with a fluid model calculation. The pressure and power dependence of the electron density and of the negative ion density gives insight in the relation between the electron temperature and the macroscopic plasma parameters. Measurements as a function of the laser wavelength, using a pulsed dye laser, show that in CF4 the negative ions mainly consist of F-, whereas in C2F6 significant densities of other negative ions may occur.

  1. Slow Thermodynamics in the Phase Separated State of the Bilayered Manganite (La0.4Pr0.6)1.2Sr1.8Mn2O7

    NASA Astrophysics Data System (ADS)

    Taniguchi, Haruka; Nakamura, Yuma; Konno, Takahisa; Matsukawa, Michiaki; Suryanarayanan, Ramanathaan

    Bilayered perovskite (La0.4Pr0.6)1.2Sr1.8Mn2O7 exhibits a field-induced paramagnetic-insulator to ferromagnetic- metal transition, and a phase-separated state is realized after the field is switched off. In order to clarify the thermodynamic properties of the phase-separated state which is a common feature in many mangan- ites, we performed specific heat measurement with field along the magnetization easy axis. We have revealed that the remanent specifc heat might exhibit a stretched exponential decay and the relaxation time is remarkably long. These results indicate the importance of magnetic frustration originating from the competition between double-exchange interaction and superexchange interaction.

  2. Magnetic properties of Ni40+xMn39-xSn21 (x = 0, 2, 4, 6 and 8 at.%) Heusler alloys

    SciTech Connect

    Lázpita, P.; Barandiarán, J. M.; Chernenko, V. A.; Valle García, B.; Díaz Tajada, E.; Lograsso, T.; Schlagel, D. L.

    2014-05-01

    The low electron concentration region (e/a < 7.75) of the magnetic phase diagram of the off-stoichiometric Ni–Mn–Sn Heusler alloys was investigated in detail by DSC and magnetization measurements of the Ni40+xMn39-xSn21(x = 0, 2, 4, 6 and 8 at.%) alloys. The alloys show a stable austenitic phase without any martensitic transformation down to 5 K even after heat treatment. The Curie temperature exhibits a broad maximum over a large composition range. The evolution of the magnetic moment with the electron concentration fits the data of previous studies and confirms the peak-like dependence in the extended range of e/a values predicted by ab initio calculations. Finally, the explored part of the moment versus e/a curve can be explained in terms of a localized magnetic moment model and full atomic order in the alloys.

  3. Pharmacological properties of 2,3,3a,4,5,6-hexahydro-8-methyl-1H-pyrazino [3,2,1-j,k]carbazol hydrochloride (pirlindole), a new antidepressant.

    PubMed

    Mashkovsky, M D; Andrejeva, N I

    1981-01-01

    The hydrochloride salt of 2,3,3a,4,5,6-hexahydro-8-methyl-1H-pyrazino[3,2,1-j,k]carbazol hydrochloride (pirlindole) exerts pharmacological effects typical of antidepressants. This compound antagonizes the depressant effects of reserpine and tetrabenazine and potentiates the central effects of amphetamine and l-dopa. It also enhances the head-twitch effect of 5-hydroxy-tryptophan, the effects of noradrenaline, adrenaline, serotonin, tyramine on blood pressure as well as the hypertensive and tremor activities of tryptamine. Pirlindole inhibits the neuronal uptake of noradrenaline and exerts reversible, short-lasting anti-MAO activity. It does not possess anti-cholinergic activity. Clinical trials have shown pirlindole to be effective as an antidepressive drug.

  4. Prediction of La0.6Sr0.4Co0.2Fe0.8O3 cathode microstructures during sintering: Kinetic Monte Carlo (KMC) simulations calibrated by artificial neural networks

    NASA Astrophysics Data System (ADS)

    Yan, Zilin; Kim, Yongtae; Hara, Shotaro; Shikazono, Naoki

    2017-04-01

    The Potts Kinetic Monte Carlo (KMC) model, proven to be a robust tool to study all stages of sintering process, is an ideal tool to analyze the microstructure evolution of electrodes in solid oxide fuel cells (SOFCs). Due to the nature of this model, the input parameters of KMC simulations such as simulation temperatures and attempt frequencies are difficult to identify. We propose a rigorous and efficient approach to facilitate the input parameter calibration process using artificial neural networks (ANNs). The trained ANN reduces drastically the number of trial-and-error of KMC simulations. The KMC simulation using the calibrated input parameters predicts the microstructures of a La0.6Sr0.4Co0.2Fe0.8O3 cathode material during sintering, showing both qualitative and quantitative congruence with real 3D microstructures obtained by focused ion beam scanning electron microscopy (FIB-SEM) reconstruction.

  5. Thermodynamic stability maps for the La0.6Sr0.4Co0.2Fe0.8O3±δ-CO2-O2 system for application in solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Darvish, Shadi; Gopalan, Srikanth; Zhong, Yu

    2016-12-01

    Thermodynamic and electrochemical predictions on the formation of secondary phases in CO2 containing atmosphere on the La0.6Sr0.4Co0.2Fe0.8O3±δ (LSCF-6428) surface have been carried out utilizing the CALculation of Phase Diagram (CALPHAD) approach. The effect of temperature, CO2 partial pressure, O2 partial pressure as well as the cathode composition on the formation of secondary phases have been investigated and correlated with the previous investigations in the literature. It is predicted that SrCO3 has the possibility to form on the surface as a result of CO2 exposure to the system. In addition, it is seen that LSCF-6428 experiences higher degradation due to the larger amount of segregated phases than LSM-20 at the same operating condition.

  6. Effects of R-site compositions on the meta-magnetic behavior of Tb1 - xPrx(Fe0.4Co0.6)1.88C0.05 (x = 0, 0.8, and 1)

    NASA Astrophysics Data System (ADS)

    Huang, Jun-Wei; Xia, Zheng-Cai; Cheng, Gang; Shi, Li-Ran; Jin, Zhao; Shang, Cui; Wei, Meng

    2015-10-01

    We investigate the low-temperature magnetic properties of intermetallic compounds Tb1 - xPrx(Fe0.4Co0.6)1.88C0.05 (x = 0, 0.8, and 1) by detailed magnetization measurements. Obvious temperature- and field-induced irreversibilities suggest the coexistence of multiple magnetic phases. Sharp magnetization jumps across the antiferromagnetic to ferromagnetic transition are observed only in the Pr-containing samples, indicating that the behavior of the avalanche-like growth of ferromagnetic clusters is mainly related to the light lanthanide Pr ions. In addition, the time relaxation, field sweep rate, and cooling field dependence of magnetization jumps in the sample with x = 1 are consistent with those in the martensitic scenario. Project supported by the National Natural Science Foundation of China (Grant No. 11104091) and the Funds from Provincial Key Laboratory of Information Materials, Guilin University of Electronic Technology, Guangxi Zhuang Autonomous Region, China (Grant No. 1210908-05-K).

  7. A 8.26Mb deletion in 6q16 and a 4.95Mb deletion in 20p12 including JAG1 and BMP2 in a patient with Alagille syndrome and Wolff-Parkinson-White syndrome.

    PubMed

    Le Gloan, Laurianne; Pichon, Olivier; Isidor, Bertrand; Boceno, Michelle; Rival, Jean-Marie; David, Albert; Le Caignec, Cédric

    2008-01-01

    We report a child presenting with Alagille and Wolff-Parkinson-White (WPW) syndromes. Standard karyotyping showed a de novo 46,XY,t(1;6)(p31;q16) translocation. Fluorescent in situ hybridization analysis identified a de novo deletion in the 20p12 chromosomal region encompassing JAG1, the major gene responsible for Alagille syndrome. The aberration was further characterized using an Agilent 44K oligonucleotide array, which confirmed the 4.95Mb 20p12 deletion. An additional 8.26Mb deletion was identified at the 6q16 translocation breakpoint. To our knowledge, WPW has never been associated with Alagille syndrome. The patient we describe presented with a 6q16 deletion containing 21 genes but no good candidate genes for WPW. The 20p12 deletion included 19 genes among them JAG1 and BMP2. Recently, two unrelated patients with WPW and BMP2 deletions have been reported. Despite a relationship between WPW and JAG1 deletion cannot be excluded, the JAG1 deletion is unlikely responsible for the ventricular preexcitation since WPW has never been associated with Alagille syndrome. Among the other deleted genes in 20p12, BMP2 appears to be a good candidate responsible for the WPW.

  8. Crystal structure of 9-(3-bromo-5-chloro-2-hydroxy­phen­yl)-10-(2-hy­droxy­eth­yl)-3,3,6,6-tetra­methyl-3,4,6,7,9,10-hexa­hydro­acridine-1,8(2H,5H)-dione

    PubMed Central

    Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim

    2014-01-01

    The title compound C25H29BrClNO4, comprises a 3,3,6,6-tetra­methyl­tetra­hydro­acridine-1,8-dione ring system that carries a hy­droxy­ethyl substituent on the acridine N atom and a 3-bromo-5-chloro-2-hy­droxy­phenyl ring on the central methine C atom of the di­hydro­pyridine ring. The benzene ring is inclined to the acridine ring system at an angle of 89.84 (6)° and this conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond between the hy­droxy substituent on the benzene ring and one of the carbonyl groups of the acridinedione unit. In the crystal, O—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonds combine to stack mol­ecules in inter­connected columns propagating along the a-axis direction. PMID:25249850

  9. Precursor solution additives improve desiccated La0.6Sr0.4Co0.8Fe0.2O3-x infiltrated solid oxide fuel cell cathode performance

    NASA Astrophysics Data System (ADS)

    Burye, Theodore E.; Nicholas, Jason D.

    2016-01-01

    Here, the addition of the surfactant Triton X-100 or the chelating agent citric acid to Solid Oxide Fuel Cell (SOFC) La0.6Sr0.4Co0.8Fe0.2O3-x (LSCF) precursor nitrate solutions is shown via scanning electron microscopy (SEM) and X-ray diffraction (XRD) to reduce average infiltrate nano-particle size and improve infiltrate phase purity. In addition, the desiccation of LSCF precursor solutions containing the aforementioned organic solution additives further reduces the average LSCF infiltrate nano-particle size and improves the low-temperature infiltrate phase purity. In particular, CaCl2-desiccation reduces the average size of Triton X-100 derived (TXD) LSCF particles fired at 700 °C from 48 to 22 nm, and reduces the average size of citric acid derived LSCF particles fired at 700 °C from 50 to 41 nm. Modeling and electrochemical impedance spectroscopy (EIS) tests indicate that particle size reductions alone are responsible for desiccation-induced cathode performance improvements such as CaCl2-desiccated TXD La0.6Sr0.4Co0.8Fe0.2O3-x - Ce0.9Gd0.1O1.95 (LSCF-GDC) cathodes reaching a polarization resistance of 0.17 Ωcm2 at 540 °C, compared to 600 °C for undesiccated TXD LSCF-GDC cathodes. This excellent low-temperature performance, combined with a low open-circuit 540 °C degradation rate, suggests that the desiccation of organic-additive-containing infiltrate precursor solutions may be useful for the development of durable, high-power, low-temperature SOFCs.

  10. TiO2/vanadate (Sr10V6O25, Ni3V2O8, Zn2V2O7) heterostructured photocatalysts with enhanced photocatalytic activity for photoreduction of CO2 into CH4

    NASA Astrophysics Data System (ADS)

    Yan, Yabin; Yu, Yanlong; Wu, Di; Yang, Yajun; Cao, Yaan

    2015-12-01

    A series of TiO2/vanadate (Sr10V6O25, Ni3V2O8, Zn2V2O7) heterostructured photocatalysts were prepared by a simple sol-gel method. The theoretical calculations imply the possible energy band match between TiO2 and vanadates. Characterized by XRD, Raman, TEM, EDX, XPS, absorption spectra, PL and time-resolved PL decay curves, it is revealed that the vanadates, which exist on the surface of TiO2, could suppress the recombination of charge carriers, prolong the life-time of photogenerated electrons and provide surface reactive hole sites, improving the photocatalytic activity for photo-reduction of CO2 into CH4.A series of TiO2/vanadate (Sr10V6O25, Ni3V2O8, Zn2V2O7) heterostructured photocatalysts were prepared by a simple sol-gel method. The theoretical calculations imply the possible energy band match between TiO2 and vanadates. Characterized by XRD, Raman, TEM, EDX, XPS, absorption spectra, PL and time-resolved PL decay curves, it is revealed that the vanadates, which exist on the surface of TiO2, could suppress the recombination of charge carriers, prolong the life-time of photogenerated electrons and provide surface reactive hole sites, improving the photocatalytic activity for photo-reduction of CO2 into CH4. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr05332c

  11. Adaptive 4-8 Texture Hierarchies

    SciTech Connect

    Hwa, L M; Duchaineau, M A; Joy, K I

    2004-08-02

    We address the texture level-of-detail problem for extremely large surfaces such as terrain during real-time, view-dependent rendering. A novel texture hierarchy is introduced based on 4-8 refinement of raster tiles, in which the texture grids in effect rotate 45 degrees for each level of refinement. This hierarchy provides twice as many levels of detail as conventional quad-tree-style refinement schemes such as mipmaps, and thus provides per-pixel view-dependent filtering that is twice as close to the ideal cutoff frequency for an average pixel. Because of this more gradual change in low-pass filtering, and due to the more precise emulation of the ideal cutoff frequency, we find in practice that the transitions between texture levels of detail are not perceptible. This allows rendering systems to avoid the complexity and performance costs of per-pixel blending between texture levels of detail. The 4-8 texturing scheme is integrated into a variant of the Real-time Optimally Adapting Meshes (ROAM) algorithm for view-dependent multiresolution mesh generation. Improvements to ROAM included here are: the diamond data structure as a streamlined replacement for the triangle bintree elements, the use of low-pass-filtered geometry patches in place of individual triangles, integration of 4-8 textures, and a simple out-of-core data access mechanism for texture and geometry tiles.

  12. {Mo96La8} eggshell ring and self-assembly to {Mo132} Keplerate through Mo-blue intermediate, involved in UV-photolysis of [Mo7O24](6-)/carboxylic acid system at pH 4.

    PubMed

    Yamase, Toshihiro; Kumagai, Shun; Prokop, Petra V; Ishikawa, Eri; Tomsa, Adrian-Raul

    2010-10-18

    The prolonged UV-photolysis of aqueous solutions containing [Mo(7)O(24)](6-) and C(2)H(5)CO(2)H (as electron donor) at pH 3.9-4.1 generates the carboxylate-coordinated {Mo(132)} Keplerate (1a) isolated as a formamidinium/ammonium-mixed salt, [HC(NH(2))(2)](26)(NH(4))(28)[Mo(V)(60)Mo(VI)(72)O(372)(H(2)O)(48)(C(2)H(5)CO(2))(36)((i)C(3)H(7)CO(2))(6)]·16H(2)O (1), through the Mo-blue intermediate (2). The coordination of 2 to La(3+) gives rise to the formation of the chain structure of the C(2)-symmetric {Mo(96)La(8)} eggshell rings, formulated by H(22)[Mo(V)(20)Mo(VI)(76)O(301)(H(2)O)(29){La(H(2)O)(6)}(2)]{La(H(2)O)(5)}(6)]·54.5H(2)O (3). The eggshell-ring geometry results from the insertion of [Mo(VI)(2)O(7)(H(2)O)](2-) (spacer) into the equator outer ring of the wheel-shaped Mo-blue, and 10 {(Mo(VI))(Mo(VI)(5))} pentagonal subunits alternately above and below the equator outer ring are connected by eight La(3+) and two {Mo(VI)(2)} linkers within two inner rings. The neighboring eggshell rings are linked through two Mo-O-Mo bonds formed by dehydrative condensation between the {Mo(VI)(2)} linkers to result in the chain structure. Together with the results of the elemental analysis and IR, electronic absorption, (13)C NMR, and ESI-MS spectra for 2, the ring profile analysis of 3 let us identify 2 with a carbolylate-coordinated Mo-blue ring of high nuclearity. The Mo(VI)→Mo(V) photoreductive change of 2 to the 60-electron reduced Keplerate in the presence of C(2)H(5)CO(2)H involves both degradation of the outer ring and splitting of the binuclear linkers, which leads to the formation of [(Mo(VI))Mo(VI)(5)O(21)(H(2)O)(4)(carboxylate)](7-) pentagonal subunits and [Mo(V)(2)O(4)(carboxylate)](+)/[Mo(V)O(2)(carboxylate)(1/2)](0.5+)-mixed linkers for 1.

  13. 7 CFR 6.4 - Investigations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 1 2011-01-01 2011-01-01 false Investigations. 6.4 Section 6.4 Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES General Provisions § 6.4 Investigations. (a) Section 22. The Administrator shall cause an investigation to be made whenever, based upon a...

  14. 7 CFR 6.4 - Investigations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 1 2012-01-01 2012-01-01 false Investigations. 6.4 Section 6.4 Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES General Provisions § 6.4 Investigations. (a) Section 22. The Administrator shall cause an investigation to be made whenever, based upon a...

  15. 7 CFR 6.4 - Investigations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 1 2014-01-01 2014-01-01 false Investigations. 6.4 Section 6.4 Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES General Provisions § 6.4 Investigations. (a) Section 22. The Administrator shall cause an investigation to be made whenever, based upon a...

  16. 7 CFR 6.4 - Investigations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 1 2013-01-01 2013-01-01 false Investigations. 6.4 Section 6.4 Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES General Provisions § 6.4 Investigations. (a) Section 22. The Administrator shall cause an investigation to be made whenever, based upon a...

  17. 43 CFR 4.452-6 - Evidence.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 1 2011-10-01 2011-10-01 false Evidence. 4.452-6 Section 4.452-6 Public... Fact § 4.452-6 Evidence. (a) All oral testimony shall be under oath and witnesses shall be subject to cross-examination. The administrative law judge may question any witness. Documentary evidence may...

  18. 43 CFR 4.452-6 - Evidence.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 1 2013-10-01 2013-10-01 false Evidence. 4.452-6 Section 4.452-6 Public... Fact § 4.452-6 Evidence. (a) All oral testimony shall be under oath and witnesses shall be subject to cross-examination. The administrative law judge may question any witness. Documentary evidence may...

  19. 43 CFR 4.452-6 - Evidence.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 1 2012-10-01 2011-10-01 true Evidence. 4.452-6 Section 4.452-6 Public... Fact § 4.452-6 Evidence. (a) All oral testimony shall be under oath and witnesses shall be subject to cross-examination. The administrative law judge may question any witness. Documentary evidence may...

  20. 27 CFR 6.4 - Jurisdictional limits.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Jurisdictional limits. 6.4 Section 6.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS âTIED-HOUSEâ Scope of Regulations § 6.4 Jurisdictional limits. (a) General....

  1. Mild hydrothermal synthesis, crystal structure, thermal behavior, spectroscopic and magnetic properties of the (NH{sub 4})[Fe(AsO{sub 4}){sub 1-x}(PO{sub 4}){sub x}F] (x=0.3, 0.6, 0.8) series. Thermal transformation of (NH{sub 4})[Fe(AsO{sub 4}){sub 0.7}(PO{sub 4}){sub 0.3}F] into the textural porous orthorhombic Fe(AsO{sub 4}){sub 0.7}(PO{sub 4}){sub 0.3}

    SciTech Connect

    Berrocal, Teresa

    2009-04-15

    The (NH{sub 4})[Fe(AsO{sub 4}){sub 1-x}(PO{sub 4}){sub x}F] (x=0.3, 0.6, 0.8) series of compounds has been synthesized under mild hydrothermal conditions. The compounds crystallize in the orthorhombic Pna2{sub 1} space group, with the unit-cell parameters a=13.1718(1), b=6.5966(6), c=10.797(1) A for x=0.3; a=13.081(1), b=6.5341(6), c=10.713(1) A for x=0.6 and a=13.0329(9), b=6.4994(4), c=10.6702(6) A for x=0.8, with the volumes 938.6(1), 915.7(1) and 903.8(1) A{sup 3}, respectively, with Z=8. Single crystals of (NH{sub 4})[Fe(AsO{sub 4}){sub 0.7}(PO{sub 4}){sub 0.3}F] heated under air atmosphere at 465 deg. C remain as single crystals, changing the composition to Fe(AsO{sub 4}){sub 0.7}(PO{sub 4}){sub 0.3}. This later phase belongs to the orthorhombic Imam space group, with the unit cell parameters a=13.328(2), b=6.5114(5), c=10.703(1) A, V=928.9(2) A{sup 3} and Z=12. The crystal structure of the ammonium phases consists of a KTP three-dimensional framework constructed by chains formed by alternating Fe(2)O{sub 4}F{sub 2} or Fe(1)O{sub 4}F{sub 2} octahedra and As/P(2)O{sub 4} or As/P(1)O{sub 4} tetrahedra, respectively. These octahedra and tetrahedra are linked by a common oxygen vertex. The chains run along the 'a' and 'b' crystallographic axes. The crystal structure of Fe(AsO{sub 4}){sub 0.7}(PO{sub 4}){sub 0.3} is a three-dimensional skeleton derived from that of the precursor, formed from (100) sheets stacked along the [001] direction, and interconnected by chains of alternating Fe(2)O{sub 6} octahedra and As/P(2)O{sub 4} tetrahedra sharing a vertex in the 'a' direction. Transmission electronic microscopy of this compound indicates the existence of unconnected external cavities with a BET surface area of 3.91(3) m{sup 2} g{sup -1}. The diffuse reflectance spectra in the visible region show the forbidden electronic transitions characteristic of the Fe(III) d{sup 5}-high spin cation in slightly distorted octahedral geometry, for all the compounds. The ESR spectra

  2. Interferon Regulatory Factor 8 (IRF8) Interacts with the B Cell Lymphoma 6 (BCL6) Corepressor BCOR*

    PubMed Central

    Yoon, Jeongheon; Feng, Xianxum; Kim, Yong-Soo; Shin, Dong-Mi; Hatzi, Katerina; Wang, Hongsheng; Morse, Herbert C.

    2014-01-01

    B cell lymphoma 6 (BCL6) corepressor (BCOR) was discovered as a BCL6-interacting corepressor, but little is known about its other biological activities in normal B cell development and function. Previously, we found that interferon regulatory factor 8 (IRF8), also known as interferon consensus sequence-binding protein, directly targets a large number of genes in germinal center B cells including BCL6. In this study, we screened potential binding partners of IRF8 using a retrovirus-based protein complementation assay screen in a mouse pre-B cell line. We found that IRF8 interacts directly with BCOR and that the α-helical region of IRF8 and the BCL6 binding domain of BCOR are required for this interaction. In addition, IRF8 protein interacts directly with BCL6. Using an siRNA-mediated IRF8 knockdown mouse B cell lymphoma cell line, we showed that IRF8 represses Bcor and enhances Bcl6 transcription. Taken together, these data suggest that a complex comprising BCOR-BCL6-IRF8 modulates BCL6-associated transcriptional regulation of germinal center B cell function. PMID:25331958

  3. 7 CFR 8.6 - Authorization for use.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... and Emblem may be obtained from the Director of the National Institute of Food and Agriculture, United States Department of Agriculture, Washington, D.C. 20250. (c) Granting an authorization to an individual... 7 Agriculture 1 2013-01-01 2013-01-01 false Authorization for use. 8.6 Section 8.6...

  4. 7 CFR 8.6 - Authorization for use.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... and Emblem may be obtained from the Director of the National Institute of Food and Agriculture, United States Department of Agriculture, Washington, D.C. 20250. (c) Granting an authorization to an individual... 7 Agriculture 1 2014-01-01 2014-01-01 false Authorization for use. 8.6 Section 8.6...

  5. 7 CFR 8.6 - Authorization for use.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... and Emblem may be obtained from the Director of the National Institute of Food and Agriculture, United States Department of Agriculture, Washington, D.C. 20250. (c) Granting an authorization to an individual... 7 Agriculture 1 2012-01-01 2012-01-01 false Authorization for use. 8.6 Section 8.6...

  6. 1 CFR 8.6 - Forms of publication.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 1 General Provisions 1 2010-01-01 2010-01-01 false Forms of publication. 8.6 Section 8.6 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER SPECIAL EDITIONS OF THE FEDERAL REGISTER CODE OF... following formats: (1) Paper; (2) Microfiche; and (3) Online on GPO Access (44 US.C. 4101). (b) The...

  7. 1 CFR 8.6 - Forms of publication.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 1 General Provisions 1 2011-01-01 2011-01-01 false Forms of publication. 8.6 Section 8.6 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER SPECIAL EDITIONS OF THE FEDERAL REGISTER CODE OF... following formats: (1) Paper; (2) Microfiche; and (3) Online on GPO Access (44 US.C. 4101). (b) The...

  8. 31 CFR 6.8 - Contents of application.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 1 2010-07-01 2010-07-01 false Contents of application. 6.8 Section 6.8 Money and Finance: Treasury Office of the Secretary of the Treasury APPLICATIONS FOR AWARDS... cooperative association as defined in section 15(a) of the Agricultural Marketing Act (12 U.S.C. 1141j(a))....

  9. Production of 5,8,11-Eicosatrienoic Acid (Mead Acid) by a (Delta)6 Desaturation Activity-Enhanced Mutant Derived from a (Delta)12 Desaturase-Defective Mutant of an Arachidonic Acid-Producing Fungus, Mortierella alpina 1S-4.

    PubMed

    Kawashima, H; Nishihara, M; Hirano, Y; Kamada, N; Akimoto, K; Konishi, K; Shimizu, S

    1997-05-01

    Enhanced production of 5,8,11-eicosatrienoic acid (Mead acid, 20:3(omega)9) was attained by a mutant fungus, Mortierella alpina M209-7, derived from (Delta)12 desaturase-defective M. alpina Mut48. The 20:3(omega)9 production by M209-7 was 1.3 times greater than that by its parent strain, Mut48. This is thought to be due to its enhanced (Delta)6 desaturation activity, which was 1.4 times higher than that of Mut48. In both strains, 87 to 88% of the total lipids comprised triacylglycerol (TG) and 85% of 20:3(omega)9 was contained in TG. On optimization of the culture conditions for M209-7, earlier glucose feeding and shifting of the growth temperature from 28 to 19(deg)C on the second day were shown to be effective. Under the optimal conditions with a 10-liter jar fermentor, 20:3(omega)9 production reached 1.65 g/liter of culture medium (corresponding to 118 mg/g of dry mycelia and 28.9% of total fatty acids), which is about twice that reported previously (0.8 g/liter).

  10. La(0.4)Ba(0.6)Fe(0.8)Zn(0.2)O(3-delta) as cathode in solid oxide fuel cells for simultaneous NO reduction and electricity generation.

    PubMed

    Zhou, Renjie; Bu, Yunfei; Xu, Dandan; Zhong, Qin

    2014-01-01

    A perovskite-type oxide La(0.4)Ba(0.6)Fe(0.8)Zn(0.2)O(3-delta) (LBFZ) was investigated as the cathode material for simultaneous NO reduction and electricity generation in solid oxide fuel cells (SOFCs). The microstructure of LBFZ was demonstrated by X-ray diffraction and scanning electron microscopy. The results showed that a single cubic perovskite LBFZ was formed after calcined at 1100 degrees C. Meanwhile, the solid-state reaction between LBFZ and Ce(0.8)Sm(0.2)O(1.9) (SDC) at 900 degrees C was negligible. To measure the electrochemical properties, SOFC units were constructed with Sm(0.9)Sr(0.1)Cr(0.5)Fe(0.5)O3 as the anode, SDC as the electrolyte and LBFZ as the cathode. The maximum power density increased with the increasing NO concentration and temperature. The cell resistance is mainly due to the cathodic polarization resistance.

  11. La 0.6Sr 0.4Co 0.2Fe 0.8O 3- δ cathodes infiltrated with samarium-doped cerium oxide for solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Nie, Lifang; Liu, Mingfei; Zhang, Yujun; Liu, Meilin

    Porous La 0.6Sr 0.4Co 0.2Fe 0.8O 3- δ (LSCF) cathodes are coated with a thin film of Sm 0.2Ce 0.8O 1.95- δ (SDC) using a one-step infiltration process. Examination of the microstructures reveals that small SDC particles are formed on the surface of LSCF grains with a relatively narrow size distribution. Impedance analysis indicates that the SDC infiltration has dramatically reduced the polarization of LSCF cathode, reaching interfacial resistances of 0.074 and 0.44 Ω cm 2 at 750 °C and 650 °C, respectively, which are about half of those for LSCF cathode without infiltration of SDC. The activation energies of the SDC infiltrated LSCF cathodes are in the range of 1.42-1.55 eV, slightly lower than those for a blank LSCF cathode. The SDC infiltrated LSCF cathodes have also shown improved stability under typical SOFC operating conditions, suggesting that SDC infiltration improves not only power output but also performance stability and operational life.

  12. 48 CFR 6.204 - Section 8(a) competition.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Section 8(a) competition... ACQUISITION PLANNING COMPETITION REQUIREMENTS Full and Open Competition After Exclusion of Sources 6.204 Section 8(a) competition. (a) To fulfill statutory requirements relating to section 8(a) of the...

  13. 48 CFR 6.204 - Section 8(a) competition.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 1 2011-10-01 2011-10-01 false Section 8(a) competition... ACQUISITION PLANNING COMPETITION REQUIREMENTS Full and Open Competition After Exclusion of Sources 6.204 Section 8(a) competition. (a) To fulfill statutory requirements relating to section 8(a) of the...

  14. 6 CFR 25.8 - Government contractor Defense.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 6 Domestic Security 1 2014-01-01 2014-01-01 false Government contractor Defense. 25.8 Section 25.8...-TERRORISM BY FOSTERING EFFECTIVE TECHNOLOGIES § 25.8 Government contractor Defense. (a) Criteria for... applicability of the government contractor defense. In determining whether to issue such Certification,...

  15. 6 CFR 25.8 - Government contractor Defense.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 6 Domestic Security 1 2013-01-01 2013-01-01 false Government contractor Defense. 25.8 Section 25.8...-TERRORISM BY FOSTERING EFFECTIVE TECHNOLOGIES § 25.8 Government contractor Defense. (a) Criteria for... applicability of the government contractor defense. In determining whether to issue such Certification,...

  16. 6 CFR 25.8 - Government contractor Defense.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 6 Domestic Security 1 2011-01-01 2011-01-01 false Government contractor Defense. 25.8 Section 25.8...-TERRORISM BY FOSTERING EFFECTIVE TECHNOLOGIES § 25.8 Government contractor Defense. (a) Criteria for... applicability of the government contractor defense. In determining whether to issue such Certification,...

  17. 6 CFR 25.8 - Government contractor Defense.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 6 Domestic Security 1 2010-01-01 2010-01-01 false Government contractor Defense. 25.8 Section 25.8...-TERRORISM BY FOSTERING EFFECTIVE TECHNOLOGIES § 25.8 Government contractor Defense. (a) Criteria for... applicability of the government contractor defense. In determining whether to issue such Certification,...

  18. 48 CFR 6.204 - Section 8(a) competition.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 1 2014-10-01 2014-10-01 false Section 8(a) competition... ACQUISITION PLANNING COMPETITION REQUIREMENTS Full and Open Competition After Exclusion of Sources 6.204 Section 8(a) competition. (a) To fulfill statutory requirements relating to section 8(a) of the...

  19. 48 CFR 6.204 - Section 8(a) competition.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 1 2012-10-01 2012-10-01 false Section 8(a) competition... ACQUISITION PLANNING COMPETITION REQUIREMENTS Full and Open Competition After Exclusion of Sources 6.204 Section 8(a) competition. (a) To fulfill statutory requirements relating to section 8(a) of the...

  20. 48 CFR 6.204 - Section 8(a) competition.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 1 2013-10-01 2013-10-01 false Section 8(a) competition... ACQUISITION PLANNING COMPETITION REQUIREMENTS Full and Open Competition After Exclusion of Sources 6.204 Section 8(a) competition. (a) To fulfill statutory requirements relating to section 8(a) of the...

  1. The Chevrel phase HgMo6S8

    PubMed Central

    Salloum, Diala; Gougeon, Patrick; Potel, Michel

    2009-01-01

    The crystal structure of HgMo6S8, mercury(II) hexa­molybdenum octa­sulfide, is based on (Mo6S8)S6 cluster units ( symmetry) inter­connected through inter­unit Mo—S bonds. The Hg2+ cations occupy large voids between the different cluster units and are covalently bonded to two S atoms. The Hg atoms and one S atom lie on sites with crystallographic and 3 symmetry, respectively. Refinement of the occupancy factor of the Hg atom led to the composition Hg0.973 (3)Mo6S8. PMID:21583726

  2. [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octa­hydro­diimidazo[4,5-h;4′,5′-c][1,6]diaze­cine-5,11-diacetato]bis­[diaqua­nitrato­copper(II)] trihydrate

    PubMed Central

    Luna-Ramírez, Karen S.; Bernès, Sylvain; Gasque, Laura

    2008-01-01

    The title compound, [Cu2(C16H20N6O4)(NO3)2(H2O)4]·3H2O, crystallizes with two dinuclear CuII complex mol­ecules, each lying on an inversion center, and six solvent water mol­ecules per unit cell. The central 1,6-diazecine ring adopts the common chair conformation invariably found in the family of complexes bearing such ligands. The CuII atoms have an octa­hedral geometry, with a very strong tetra­gonal distortion due to the Jahn–Teller effect. Axial sites are occupied by a nitrate ion and a water mol­ecule. The Cu⋯Cu separations [7.3580 (9) and 7.3341 (9) Å] are compatible with a potential catecholase activity. Neighboring mol­ecules in the crystal structure are connected via O—H⋯O hydrogen bonds formed by water mol­ecules and carboxyl­ate O atoms. N—H⋯O hydrogen bonds are also present. PMID:21201593

  3. Pressure-induced colossal piezoresistance effect and the collapse of the polaronic state in the bilayer manganite (La(0.4)Pr(0.6))(1.2)Sr(1.8)Mn2O7.

    PubMed

    Thiyagarajan, R; Manivannan, N; Arumugam, S; Esakki Muthu, S; Tamilselvan, N R; Sekar, C; Yoshino, H; Murata, K; Apostu, M O; Suryanarayanan, R; Revcolevschi, A

    2012-04-04

    We have investigated the effect of hydrostatic pressure as a function of temperature on the resistivity of a single crystal of the bilayer manganite (La(0.4)Pr(0.6))(1.2)Sr(1.8)Mn(2)O(7). Whereas a strong insulating behaviour is observed at all temperatures at ambient pressure, a clear transition into a metallic-like behaviour is induced when the sample is subjected to a pressure (P) of ~1.0 GPa at T < 70 K. A huge negative piezoresistance ~10(6) in the low temperature region at moderate pressures is observed. When the pressure is increased further (5.5 GPa), the high temperature polaronic state disappears and a metallic behaviour is observed. The insulator to metal transition temperature exponentially increases with pressure and the distinct peak in the resistivity that is observed at 1.0 GPa almost vanishes for P > 7.0 GPa. A modification in the orbital occupation of the e(g) electron between 3d(x(2)-y(2)) and 3d(z(2)-r(2)) states, as proposed earlier, leading to a ferromagnetic double-exchange phenomenon, can qualitatively account for our data.

  4. DFT studies on a high-energy density cage compound 1, 3, 5, 7, 9, 11-hexo(N(CH3)NO2)-2, 4, 6, 8, 10, 12-hexaazatetracyclo[5, 5, 0, 0, 0] dodecane

    NASA Astrophysics Data System (ADS)

    Li, Xiao-Hong; Yong, Yong-Liang; Zhang, Xian-Zhou

    2014-04-01

    The infrared and Raman spectra, heat of formation (HOF) and thermodynamic properties were investigated by B3LYP/6-31G** method for a new designed polynitro cage compound 1,3,5,7,9,11-hexo(N(CH3)NO2)-2,4,6,8,10,12-hexaazatetracyclo[5,5,0,0,0]dodecane. The detonation velocity (D) and pressure (P) were predicted by the Kamlet-Jacobs equations based on the theoretical density and condensed HOF. The bond dissociation energies and bond orders for the weakest bonds were analysed to investigate the thermal stability of the title compound. The computational result shows that the detonation velocity and pressure of the title compound are superior to those of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), but inferior to those of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX) and hexanitrohexaazaisowurtzitane (HNIW). And the analysis of thermal stability shows that the first step of pyrolysis is the rupture of the N7-NO2 bond. The crystal structure obtained by molecular mechanics belongs to the P21 space group, with the lattice parameters Z = 2, a = 11.8246 Å, b = 10.4632 Å, c = 15.9713 Å, ρ = 1.98 g cm-3.

  5. Gas-phase chemical reactivity of CFC-114 and potential replacements. [Reactions of cyclo-C sub 4 F sub 8 with UF sub 6 and F sub 2

    SciTech Connect

    Trowbridge, L.D.; Angel, E.C.

    1992-07-01

    The DOE gaseous diffusion plant complex makes extensive use of CFC-114 as a primary coolant. As this material is on the Montreal Protocol list of materials scheduled for production curtailment, a substitute must be found. In addition to physical cooling properties, the gaseous diffusion application imposes the unique requirement of chemical inertness to fluorinating agents. A series of studies has therefore been undertaken to evaluate the gas-phase chemical reactivity of potential alternate coolants. This report examines the reactivity of perfluorocyclobutane (C-C{sub 4}F{sub 8}) with UF{sub 6} and F{sub 2} at selected reference conditions (approximately 10 Torr partial pressure of each reactant at 150{degrees}C). At the reference conditions, a very slight degree of reactivity was observed with F{sub 2}, but much less than the observed reactivity of the reference coolant, CFC-114. No reaction was observed with UF{sub 6}. A limited number of experiments was conducted at higher temperature, providing a first estimate of the rate of increase of reaction rate with increased temperature.

  6. Interfacial Analysis of (La0.6Sr0.4)(Co0.2Fe0.8)O3-δ Substrates Wetted by Ag-CuO

    SciTech Connect

    Weil, K. Scott; Kim, Jin Yong Y.; Hardy, John S.

    2005-05-01

    Recently a new method of brazing has been developed to hermetically seal high-temperature, solid-state electrochemical devices, such as as oxygen and hydrogen separators, fuel gas reformers, solid oxide fuel cells, and chemical sensors. Based on a two-phase liquid composed of silver and copper oxide, brazing is conducted directly in air without the need of an inert cover gas or the use of surface reactive fluxes. A key issue in the development of this joining technique is understanding the effect of braze composition on wetting behavior. In the present paper we consider the wetting behaviors of two candidate braze filler materials, Ag-CuO and Ag-CuO-TiO2, on a protoypical mixed ionic/electronic conducting oxide substrate, lanthanum strontium cobalt ferrite [(La0.6Sr0.4)(Co0.2Fe0.8)O3-δ]. It was found that additions of CuO to silver exhibit a tremendous effect on both the wettability and joint strength characteristics of the subsequent braze relative to polycrystalline alumina substrates. The effect is particularly significant at low CuO content, with substantial improvements in wetting observed in the 1 – 8 mol% range. The corresponding strength of the brazed polycrystalline alumina joints appears to be maximized at a copper oxide content of 8 mol%, with a maximum room temperature flexural strength approaching that of monolithic alumina. While further increases in oxide content lead to improved wetting on polycrystalline alumina, the effect on joint strength is deleterious. It appears that the formation of a continuous brittle copper-based oxide layer along the interface between the braze and alumina faying surface is responsible for the poor mechanical behavior observed in joints fabricated with higher CuO content brazes.

  7. AT-RvD1 Modulates CCL-2 and CXCL-8 Production and NF-κB, STAT-6, SOCS1, and SOCS3 Expression on Bronchial Epithelial Cells Stimulated with IL-4

    PubMed Central

    de Oliveira, Jhony Robison; Favarin, Daniely Cornélio; Tanaka, Sarah Cristina Sato Vaz; Balarin, Marly Aparecida Spadotto; Silva Teixeira, David Nascimento; Rogério, Alexandre de Paula

    2015-01-01

    Bronchial epithelial cells represent the first line of defense against microorganisms and allergens in the airways and play an important role in chronic inflammatory processes such as asthma. In an experimental model, both RvD1 and AT-RvD1, lipid mediators of inflammation resolution, ameliorated some of the most important phenotypes of experimental asthma. Here, we extend these results and demonstrate the effect of AT-RvD1 on bronchial epithelial cells (BEAS-2B) stimulated with IL-4. AT-RvD1 (100 nM) decreased both CCL2 and CXCL-8 production, in part by decreasing STAT6 and NF-κB pathways. Furthermore, the effects of AT-RvD1 were ALX/FRP2 receptor dependent, as the antagonist of this receptor (BOC1) reversed the inhibition of these chemokines by AT-RvD1. In addition, AT-RvD1 decreased SOCS1 and increased SOCS3 expression, which play important roles in Th1 and Th17 modulation, respectively. In conclusion, AT-RvD1 demonstrated significant effects on the IL-4-induced activation of bronchial epithelial cells and consequently the potential to modulate neutrophilic and eosinophilic airway inflammation in asthma. Taken together, these findings identify AT-RvD1 as a potential proresolving therapeutic agent for allergic responses in the airways. PMID:26075216

  8. Effect of Screen-Printing Mesh Opening Diameter on Microstructural and Electrical Properties of La0.6Sr0.4Co0.2Fe0.8O3- δ Thick Films

    NASA Astrophysics Data System (ADS)

    Jamale, Atul P.; Bhosale, C. H.; Jadhav, L. D.

    2016-01-01

    The performance of solid oxide fuel cells (SOFCs) is hampered by the large polarization and ohmic losses across the cathode-electrolyte interface. To minimize these losses, in most SOFCs the cathode is obtained by thick-film deposition techniques. Since the properties of such films depend upon the starting materials and screen-printing parameters, the effect of the mesh opening diameter on the physiochemical properties of cathodes for intermediate-temperature (IT)-SOFCs has been studied. Combustion-synthesized La0.6Sr0.4Co0.2Fe0.8O3- δ powder with specific surface area of 11.64 m2 g-1 was utilized in film formation. All films were porous in nature, and the thickness was observed to increase with the mesh opening diameter. The electrical conductivity showed a decreasing trend with film thickness. Typically, film with 7 μm thickness showed moderate conductivity of 16.4 S cm-1 with E a = 0.1 eV.

  9. Synthesis and characterization of La0.6Sr0.4Fe0.8Cu0.2O3-δ oxide as cathode for Intermediate Temperature Solid Oxide Fuel Cells

    NASA Astrophysics Data System (ADS)

    Vázquez, Santiago; Davyt, Sebastián; Basbus, Juan F.; Soldati, Analía L.; Amaya, Alejandro; Serquis, Adriana; Faccio, Ricardo; Suescun, Leopoldo

    2015-08-01

    Nanocrystalline La0.6Sr0.4Fe0.8Cu0.2O3-δ (LSFCu) material was synthetized by combustion method using EDTA as fuel/chelating agent and NH4NO3 as combustion promoter. Structural characterization using thermodiffraction data allowed to determine a reversible phase transition at 425 °C from a low temperature R-3c phase to a high temperature Pm-3m phase and to calculate the thermal expansion coefficient (TEC) of both phases. Important characteristics for cathode application as electronic conductivity and chemical compatibility with Ce0.9Gd0.1O2-δ (CGO) electrolyte were evaluated. LSFCu presented a p-type conductor behavior with maximum conductivity of 135 S cm-1 at 275 °C and showed a good stability with CGO electrolyte at high temperatures. This work confirmed that as prepared LSFCu has excellent microstructural characteristics and an electrical conductivity between 100 and 60 S cm-1 in the 500-700 °C range which is sufficiently high to work as intermediate temperature Solid Oxide Fuel Cells (IT-SOFCs) cathode. However a change in the thermal expansion coefficient consistent with a small oxygen loss process may affect the electrode-electrolyte interface during fabrication and operation of a SOFC.

  10. 3,5,6,7,8,3',4'-Heptamethoxyflavone, a Citrus Flavonoid, Ameliorates Corticosterone-Induced Depression-like Behavior and Restores Brain-Derived Neurotrophic Factor Expression, Neurogenesis, and Neuroplasticity in the Hippocampus.

    PubMed

    Sawamoto, Atsushi; Okuyama, Satoshi; Yamamoto, Kana; Amakura, Yoshiaki; Yoshimura, Morio; Nakajima, Mitsunari; Furukawa, Yoshiko

    2016-04-23

    We previously reported that the citrus flavonoid 3,5,6,7,8,3',4'-heptamethoxyflavone (HMF) increased the expression of brain-derived neurotrophic factor (BDNF) in the hippocampus of a transient global ischemia mouse model. Since the BDNF hypothesis of depression postulates that a reduction in BDNF is directly involved in the pathophysiology of depression, we evaluated the anti-depressive effects of HMF in mice with subcutaneously administered corticosterone at a dose of 20 mg/kg/day for 25 days. We demonstrated that the HMF treatment ameliorated (1) corticosterone-induced body weight loss, (2) corticosterone-induced depression-like behavior, and (3) corticosterone-induced reductions in BDNF production in the hippocampus. We also showed that the HMF treatment restored (4) corticosterone-induced reductions in neurogenesis in the dentate gyrus subgranular zone and (5) corticosterone-induced reductions in the expression levels of phosphorylated calcium-calmodulin-dependent protein kinase II and extracellular signal-regulated kinase1/2. These results suggest that HMF exerts its effects as an anti-depressant drug by inducing the expression of BDNF.

  11. 8 CFR 286.6 - Maintenance of records.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Maintenance of records. 286.6 Section 286.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRATION USER FEE § 286.6 Maintenance of records. Each collector and remitter shall maintain records necessary for...

  12. 8 CFR 286.6 - Maintenance of records.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Maintenance of records. 286.6 Section 286.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRATION USER FEE § 286.6 Maintenance of records. Each collector and remitter shall maintain records necessary for...

  13. 8 CFR 286.6 - Maintenance of records.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false Maintenance of records. 286.6 Section 286.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRATION USER FEE § 286.6 Maintenance of records. Each collector and remitter shall maintain records necessary for...

  14. 8 CFR 286.6 - Maintenance of records.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Maintenance of records. 286.6 Section 286.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRATION USER FEE § 286.6 Maintenance of records. Each collector and remitter shall maintain records necessary for...

  15. 8 CFR 286.6 - Maintenance of records.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false Maintenance of records. 286.6 Section 286.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRATION USER FEE § 286.6 Maintenance of records. Each collector and remitter shall maintain records necessary for...

  16. 8 CFR 280.6 - Bond to obtain clearance; form.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Bond to obtain clearance; form. 280.6 Section 280.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMPOSITION AND COLLECTION OF FINES § 280.6 Bond to obtain clearance; form. A bond to obtain clearance of a...

  17. 8 CFR 204.6 - Petitions for employment creation aliens.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false Petitions for employment creation aliens. 204.6 Section 204.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRANT PETITIONS Immigrant Visa Petitions § 204.6 Petitions for employment creation aliens. (a)...

  18. 8 CFR 204.6 - Petitions for employment creation aliens.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Petitions for employment creation aliens. 204.6 Section 204.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRANT PETITIONS Immigrant Visa Petitions § 204.6 Petitions for employment creation aliens. (a)...

  19. 8 CFR 204.6 - Petitions for employment creation aliens.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false Petitions for employment creation aliens. 204.6 Section 204.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRANT PETITIONS Immigrant Visa Petitions § 204.6 Petitions for employment creation aliens. (a)...

  20. 8 CFR 204.6 - Petitions for employment creation aliens.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false Petitions for employment creation aliens. 204.6 Section 204.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRANT PETITIONS Immigrant Visa Petitions § 204.6 Petitions for employment creation aliens. (a)...

  1. 8 CFR 204.6 - Petitions for employment creation aliens.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false Petitions for employment creation aliens. 204.6 Section 204.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS IMMIGRANT PETITIONS Immigrant Visa Petitions § 204.6 Petitions for employment creation aliens. (a)...

  2. 8 CFR 274a.6 - State employment agencies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false State employment agencies. 274a.6 Section 274a.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS CONTROL OF EMPLOYMENT OF ALIENS Employer Requirements § 274a.6 State employment agencies. (a) General. Pursuant...

  3. 8 CFR 274a.6 - State employment agencies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 8 Aliens and Nationality 1 2014-01-01 2014-01-01 false State employment agencies. 274a.6 Section 274a.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS CONTROL OF EMPLOYMENT OF ALIENS Employer Requirements § 274a.6 State employment agencies. (a) General. Pursuant...

  4. 8 CFR 274a.6 - State employment agencies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 8 Aliens and Nationality 1 2011-01-01 2011-01-01 false State employment agencies. 274a.6 Section 274a.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS CONTROL OF EMPLOYMENT OF ALIENS Employer Requirements § 274a.6 State employment agencies. (a) General. Pursuant...

  5. 8 CFR 274a.6 - State employment agencies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 8 Aliens and Nationality 1 2012-01-01 2012-01-01 false State employment agencies. 274a.6 Section 274a.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS CONTROL OF EMPLOYMENT OF ALIENS Employer Requirements § 274a.6 State employment agencies. (a) General. Pursuant...

  6. 8 CFR 274a.6 - State employment agencies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 8 Aliens and Nationality 1 2013-01-01 2013-01-01 false State employment agencies. 274a.6 Section 274a.6 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS CONTROL OF EMPLOYMENT OF ALIENS Employer Requirements § 274a.6 State employment agencies. (a) General. Pursuant...

  7. Copper oxide as a synergistic catalyst for the oxygen reduction reaction on La0.6Sr0.4Co0.2Fe0.8O3-δ perovskite structured electrocatalyst

    NASA Astrophysics Data System (ADS)

    Hong, Tao; Brinkman, Kyle; Xia, Changrong

    2016-10-01

    This work presents the effect of dispersed copper oxide (CuO) nanoparticles on the oxygen reduction reaction (ORR) on a typical solid oxide fuel cell (SOFC) electrocatalyst, La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF). The ORR kinetics were enhanced by a factor up to 4 at 750 °C as demonstrated by electrical conductivity relaxation measurements used to determine the chemical surface exchange coefficient, kchem. The value of kchem increased from 2.6 × 10-5 cm s-1 to 9.3 × 10-5 cm s-1 at 750 °C when the LSCF surface was coated with submicron CuO particles. The enhanced kchem was attributed to additional reactions that occur on the CuO surface and at the LSCF-CuO-gas three-phase boundaries (3PBs) as suggested by the kchem dependence on CuO coverage and 3PB length. This enhancement was further demonstrated by the introduction of CuO nanoparticles into LSCF electrodes. CuO infiltrated electrodes reduced the interfacial polarization resistance from 2.27 Ω cm2 to 1.5 Ω cm2 at 600 °C and increased the peak power density from 0.54 W cm-2 to 0.72 W cm-2 at 650 °C. Electrochemical impedance spectroscopy indicated that the reduced resistance was due to the shrinkage of the low frequency arc, which is associated with the electrochemical surface exchange reaction.

  8. 6,12,18,24-Tetra-meth-oxy-4,10,16,22-tetra-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-kis-(2-phenyl-eth-yl)resorcin[4]arene.

    PubMed

    Pansuriya, Pramod B; Friedrich, Holger B; Maguire, Glenn E M

    2012-01-01

    The title compound, C(76)H(80)O(16), is a macrocyclic structure. This novel resorcin[4]arene derivative has (meth-oxy-carbon-yl)meth-oxy 'head' groups on the upper rim. The compound has a C(2v) 'boat' geometry and there are a range of C-H⋯O contacts in the crystal structure.

  9. CF, CF{sub 2} and SiF Densities in Inductively Driven Discharges Containing C{sub 2}F{sub 6}, C{sub 4}F{sub 8} and CHF{sub 3}

    SciTech Connect

    HEBNER,GREGORY A.

    2000-06-12

    Laser induced fluorescence was used to measure the spatially resolved CF, CF{sub 2} and SiF radical density in inductively driven discharges containing fluorocarbon gases. Measurements of the spatially resolved CF density were performed in C{sub 2}F{sub 6} and CHF{sub 3} containing discharges as functions of inductive power, pressure and bias condition on a silicon substrate. In addition, CF rotational temperatures were calculated, assuming saturated spectra. Measurements of the spatially resolved CF{sub 2} and SiF density were performed in C{sub 4}F{sub 8}, C{sub 2}F{sub 6} and CHF{sub 3} containing discharges as functions of inductive power, pressure and bias condition. SiF rotational temperatures were also estimated. As the induction coil power was increased, the SiF density in the center (r = 0 cm) increased while the CF{sub 2} density decreased and the CF density slightly decreased. In all cases, the radical density in the center of the glow increased with pressure changes from 5 to 30 mTorr while changes in the bias power had little influence on any of the measured radical densities. The spatial distribution of the CF and SiF density peaked in the center of the discharge. The CF{sub 2} density had a local maximum in the center of the plasma with a decreasing density at the edge of the glow. However, the CF{sub 2} density outside the glow region was a factor of 2--6 higher than the density inside the glow region, depending on the gas. CF and SiF rotational temperatures were between 450 and 750 K.

  10. Final analysis of proton form factor ratio data at Q2 = 4.0, 4.8, and 5.6 GeV2

    SciTech Connect

    Puckett, A. J. R.; Brash, E. J.; Gayou, O.; Jones, M. K.; Pentchev, L.; Perdrisat, C. F.; Punjabi, V.; Aniol, K. A.; Averett, T.; Benmokhtar, F.; Bertozzi, W.; Bimbot, L.; Calarco, J. R.; Cavata, C.; Chai, Z.; Chang, C. -C.; Chang, T.; Chen, J. P.; Chudakov, E.; De Leo, R.; Dieterich, S.; Endres, R.; Epstein, M. B.; Escoffier, S.; Fissum, K. G.; Fonvieille, H.; Frullani, S.; Gao, J.; Garibaldi, F.; Gilad, S.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Hansen, J. -O.; Higinbotham, D.; Huber, G. M.; Iodice, M.; de Jager, C. W.; Jiang, X.; Khandaker, M.; Kozlov, S.; Kramer, K. M.; Kumbartzki, G.; LeRose, J. J.; Lhuillier, D.; Lindgren, R. A.; Liyanage, N.; Lolos, G. J.; Margaziotis, D. J.; Marie, F.; Markowitz, P.; McCormick, K.; Michaels, R.; Milbrath, B. D.; Nanda, S. K.; Neyret, D.; Piskunov, N. M.; Ransome, R. D.; Raue, B. A.; Roché, R.; Rvachev, M.; Salgado, C.; Sirca, S.; Sitnik, I.; Strauch, S.; Todor, L.; Tomasi-Gustafsson, E.; Urciuoli, G. M.; Voskanyan, H.; Wijesooriya, K.; Wojtsekhowski, B. B.; Zheng, X.; Zhu, L.

    2012-04-11

    Recently published measurements of the proton electromagnetic form factor ratio R = μp GEp/GMp at momentum transfers Q2 up to 8.5 GeV2 in Jefferson Lab Hall C deviate from the linear trend of previous measurements in Jefferson Lab Hall A, favoring a slower rate of decrease of R with Q2. While statistically compatible in the region of overlap with Hall A, the Hall C data hint at a systematic difference between the two experiments. This possibility was investigated in a reanalysis of the Hall A data. We find that the original analysis underestimated the background in the selection of elastic events. The application of an additional cut to further suppress the background increases the results for R, improving the consistency between Halls A and C.

  11. 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile

    PubMed Central

    Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Mulik, A. G.; Deshmukh, Madhukar B.

    2013-01-01

    In the title mol­ecule, C19H18F3N3O, the dihydro­pyridine and cyclo­hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro­pyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifluoro­methyl group were refined as disordered over two sets of sites in a 0.840 (3):0.160 (3) ratio. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds link mol­ecules into a two-dimensional network parallel to (100). PMID:23476367

  12. Crystal structure of 3-meth-oxy-carbonyl-2-(4-meth-oxy-phen-yl)-8-oxo-1-aza-spiro[4.5]deca-1,6,9-trien-1-ium-1-olate.

    PubMed

    Martins, Lucimara Julio; Simoni, Deborah de Alencar; Aparicio, Ricardo; Coelho, Fernando

    2014-11-01

    The title compound, C18H17NO5, was prepared by a synthetic strategy based on the Heck reaction from Morita-Baylis-Hillman adducts. The five-membered ring adopts a slightly twisted conformation on the Ca-Cm (a = aromatic and m = methyl-ene) bond. The dihedral angle between the five-membered ring and the spiro aromatic ring is 89.35 (7)°; that between the five-membered ring and the 4-meth-oxy-benzene ring is 4.65 (7)°. Two short intra-molecular C-H⋯O contacts occur. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds to generate a three-dimensional network.

  13. (9S,13R,14S)-7,8-Didehydro-4-(4-iodo-benz-yloxy)-3,7-dimeth-oxy-17-methyl-morphinan-6-one monohydrate.

    PubMed

    Zheng, Xing-Liang; Jiang, Ning-Fei

    2010-10-20

    In the title compound, C(26)H(28)INO(4)·H(2)O, benzene rings are inclined at a dihedral angle of 69.9 (1)°. The N-containing ring exhibits a chair conformation, while the other rings approximate to envelope conformations. In the crystal, the uncoordinated water mol-ecule forms inter-molecular O-H⋯O and O-H⋯N hydrogen bonds.

  14. Flexible and dynamic thermal behavior of self-catenated [{Ni3(H2O)3(Bpa)4}(V6O18)]·8H2O constructed from 10-c heterometallic inorganic-organic clusters.

    PubMed

    Fernández de Luis, Roberto; Mesa, José L; Urtiaga, M Karmele; Larrea, Edurne S; Rojo, Teófilo; Arriortua, María I

    2012-02-20

    The hydrothermal treatment of Ni(NO(3))(2)·6H(2)O, NaVO(3), and Bpa (1,2-Di(pyridyl)ethane) (C(12)H(12)N(2)) at 120 °C during 3 days leads to green single crystals of the title compound. The single crystal X-ray diffraction reveals that [{Ni(3)(H(2)O)(3)(Bpa)(4)}(V(6)O(18))]·8H(2)O crystallizes in the monoclinic system, P2(1)/c space group, with a = 13.5536 (2), b = 19.0463 (2), c = 27.7435 (3) Å, β = 112.3880 (10)°, V = 6622(3) Å(3), with R1(obs) = 0.0558, wR2(obs) = 0.1359, for 10278 observed reflections. The complexity of the crystal structure is based on different points, as the existence of: both "gauche" and "trans" conformations of the organic ligand, the [V(12)O(36)](-12) cycles, formed by 12 corner-sharing VO(4) tetrahedra, and, finally, the combination of both three-dimensional metal-organic and inorganic substructures, giving rise to a self-catenated highly connected net. The crystallization water molecules are semi-encapsulated in the channels along the [100] direction, and their loss gives rise to a dynamical and reversible structural contraction. Moreover, after the removal of the crystallization water molecules, the compound exhibits a negative thermal behavior in the 85-155 °C temperature range, and irreversible structural transformation due to the loss of coordinated water molecules up to 200 °C. The IR and UV-vis spectra were determined for the as-synthesized sample, after the removal of crystallization water molecules and after the irreversible transformation due to the loss of coordinated water molecules. The thermal evolution of χ(m) was adjusted to a magnetic model considering an isotropic dimer plus two Ni(II) d(8) isolated octahedra.

  15. A sensitive spectrofluorometric method for determination of ergosta-4,6,8(14),22-tetraen-3-one in rat plasma, feces, and urine for application to pharmacokinetic studies using cerium(III) as a probe.

    PubMed

    Sun, Yang; Liang, Xuhua; Zhao, Yingyong; Fan, Jun

    2013-01-01

    Ergosta-4,6,8(14),22-tetraen-3-one (ergone) isolated from Polyporus umbellatus possesses a variety of pharmacological activities in vivo and in vitro, including cytotoxic, diuretic, and immunosuppressive effect. The interaction of cerium ions (Ce(3+)) with ergone was studied by fluorescence and absorption spectroscopy. Spectra data revealed that Ce(3+) ions exhibited emission maxima around 350 nm when the excitation wavelength was fixed at 255 or 290 nm, and the fluorescence of Ce(3+) ions was quenched by the addition of ergone, indicating that a Ce(3+)-ergone complex was formed. According to the modified Benesi-Hildebrand equation, the binding constant of interaction of Ce(3+) ions with ergone was obtained at room temperature. Based on this, a sensitive spectrofluorometric method using Ce(3+) ions as a probe was applied for the identification and quantification of ergone in rat plasma, feces, and urine. The linear ranges of the calibration curves were 1.31 to 4.50 μM for plasma, 1.12-9.87 μM for feces, and 1.28-3.42 μM for urine, and the ergone recoveries were found to be 97.1 ± 0.9%, 98.2 ± 0.7% and 96.5 ± 1.4% for plasma, feces, and urine, respectively. The intraday and inter-day relative standard deviations were less than 9.7%. The proposed spectrofluorometric method is simple and rapid for the quantitative determination of ergone in rat plasma, feces, and urine, and it is affordable for most laboratories because it has few requirements and uses low cost, easy to operate equipment.

  16. Dynamic self-assembly of an M3L6 molecular triangle and an M4L8 tetrahedron from naked Pd(II) ions and bis(3-pyridyl)-substituted arenes.

    PubMed

    Chand, Dillip K; Biradha, Kumar; Kawano, Masaki; Sakamoto, Shigeru; Yamaguchi, Kentaro; Fujita, Makoto

    2006-07-17

    The pyridine-appended nonchelating bidentate ligands 1,4-bis(3-pyridyl)benzene (1) and 4,4'-bis(3-pyridyl) biphenyl (2) were complexed with a naked Pd(II) ion for the construction of molecular cage compounds. Prior to these experiments, the complexation of the ligands with cis-[Pd(en)(NO3)2] was also examined, because self-assemblies from the cis-protected Pd(II) ion were expected to be simple motifs that constitute the assemblies from naked Pd(II) ion. The structures of the self-assembled compounds resulting from 1 and [Pd(en)(NO3)2] depended on the solvent employed. In aqueous solution, an M2L2 trenchlike compound was obtained. In dimethyl sulfoxide, however, a mixture of the M2L2 trench and an M3L3 macrocycle was found in equilibrium, the dynamic nature of which was confirmed by the concentration-dependent nature of the species. At higher concentration, an M4L4 macrocycle was mostly observed. The complexation of 1 with naked Pd(II) ions was expected to produce novel structures that are combinations of the M(n)L(n) type frameworks. A peculiar tetrahedral M4L8 assembly was obtained quantitatively from 1 and Pd(NO3)2, rather than the smallest possible M3L6 double-walled triangle. Interestingly, the use of Pd(CF3SO3)2 resulted in the sole formation of the latter structure. Thus, the anion is important as a template in the formation of these assemblies. Ligand 2, which contains an extra p-phenylene unit compared to 1, behaved in a similar manner when treated with [Pd(en)(NO3)2], but showed subtle differences with naked Pd(II) ions. With Pd(NO3)2, 2 gave mostly a tetrahedron along with a double-walled triangle. With Pd(CF3SO3)2, this longer ligand formed a double-walled triangle with a negligible amount of tetrahedra. A single discrete assembly of a perfect tetrahedron was obtained from 2 and Pd(II) ions by choosing p-tosylate as a counterion.

  17. Synthesis and chemiluminescence of copolymers of 5-amino-8-vinyl-phthalazine-1,4(2H,3H)-dione with methyl methacrylate or styrene, and of alpha, omega-bis[5-amino-phthalazine-1,4(2H,3H)-dion-]8-yl alkanes [= alpha, omega-bis(6-luminyl) alkanes]: investigations on an intramolecular 'distance effect'.

    PubMed

    Gundermann, K D; Lieske, D; Haase, B; Hartmann-Azanza Baca, B

    1987-09-01

    Oligomers of 5-amino-8-vinyl-phthalazine-1,4(2H,3H)-dione exhibit about 0.05% of the chemiluminescence quantum yield of the corresponding 'monomer unit', i.e. 5-amino-8-ethyl-phthalazine-1,4(2H,3H)-dione which has a similar quantum yield to luminol. The quantum yields of copolymers of 5-amino-8-vinyl-phthalazine-1,4(2H,3H)-dione (1a) with methyl methacrylate or with styrene increase up to 1000-fold, relative to the quantum yield of oligomers of (1a). Thus the monomer units of methyl methacrylate or styrene appear to act as 'spacers' between the lumigenic groups. alpha, omega-Bis[(5-amino-phthalazine-1,4(2H,3H)-dion-)8-yl] alkanes show an analogue 'distance' effect: the chemiluminescence quantum yield increases with increasing alkane chain length. As the fluorescence of the corresponding amino phthalates (which are intermediates in the synthesis of the phthalazine diones) is only slightly influenced by the distance between the lumigenic groups it is suggested that a mainly chemical 'distance effect' is working here: the smaller the intramolecular distance between the hydrazide groups the more inhibition exists in respect of the oxidative reaction producing the luminol-type chemiluminescence.

  18. The crystal structures of Ni3+xSn4Zn and Ni6+xSn8Zn and their structural relations to Ni3+xSn4, NiSn and Ni5-δZnSn4

    NASA Astrophysics Data System (ADS)

    Schmetterer, Clemens; Effenberger, Herta Silvia; Rajamohan, Divakar; Flandorfer, Hans

    2016-06-01

    The crystal structures of two new compounds were determined from single-crystal X-ray diffraction measurements: Ni3+xSn4Zn, (x~1.35, a=7.110(2) Å, b=4.123(1) Å, c=10.346(3) Å, β=90.23(2)°, space group I2/m, Z=2. R1=0.025, wR2=0.059 for 748 unique reflections, 35 variable parameters) and Ni6+xSn8Zn, x~1.35 (a=12.379(3) Å, b=4.095(1) Å, c=12.155(3) Å, β=116.25(3)°, space group C2/m, Z=2. R1=0.026, wR2=0.052 for 1346 unique reflections, 60 variable parameters). In addition, a structural refinement was performed for Ni3+xSn4, x~0.13 (a=12.264(3) Å, b=4.066(1) Å, c=5.223(2) Å, β=104.85(3)°, space group C2/m, Z=2. R1=0.019, wR2=0.046 for 617 unique reflections, 29 variable parameters). The three compounds show pronounced similarities among each other as well as to the crystal structures of surrounding binary Ni-Sn and ternary Ni-Sn-Zn compounds. In particular, the two new compounds form a homologous series with Ni3+xSn4, x~0.13. They contain "Ni4Sn4" and "Ni2Sn4" building blocks which by different interconnection build up the distinct structures. Topological relations with NiSn and Ni5-δSn4Zn, δ~0.25 are evident.

  19. Photocopy of "sheet 6 of 8" showing cross section of ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Photocopy of "sheet 6 of 8" showing cross section of house, front elevation, fire finder stand, hip roof cap, and shiplap roof sheathing. - Badger Mountain Lookout, .125 mile northwest of Badger Mountain summit, East Wenatchee, Douglas County, WA

  20. 4-[6,8-Dibromo-2-(2-chloro-5-nitro­phen­yl)-1,2,3,4-tetra­hydro­quinazolin-3-yl]cyclo­hexa­nol

    PubMed Central

    Wang, Zhi-Gang; Xia, Zong-Lin; Wang, Rong; Wang, Ming-Li

    2010-01-01

    The title compound, C20H20Br2ClN3O3, was synthesized by the condensation reaction of 2-chloro-5-nitro­benzaldehyde with 4-(2-amino-3,5-dibromo­benzyl­amino)cyclo­hexa­nol in a methanol solution. There are two independent mol­ecules in the asymmetric unit and in one mol­ecule the atoms of the cyclo­hexane ring are disordered over two sets of sites with refined occupancies of 0.657 (12) and 0.343 (12). The dihedral angle between the two benzene rings is 89.5 (2)° in one mol­ecule and 82.9 (2)° in the other. In the crystal structure, inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link the mol­ecules into chains propagating along [01]. PMID:21579236

  1. Effect of atmospheric CO2 on surface segregation and phase formation in La0.6Sr0.4Co0.2Fe0.8O3-δ thin films

    NASA Astrophysics Data System (ADS)

    Yu, Yang; Luo, Heng; Cetin, Deniz; Lin, Xi; Ludwig, Karl; Pal, Uday; Gopalan, Srikanth; Basu, Soumendra

    2014-12-01

    The effects of atmospheric CO2 on surface segregation and phase formation in La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF-6428) were investigated. (0 0 1)-oriented LSCF-6428 thin films were deposited on lattice matched (1 1 0)-oriented NdGaO3 (NGO) substrates by pulsed laser deposition (PLD). Using the synchrotron technique of total reflection X-ray fluorescence (TXRF), it was found that the kinetics of Sr surface segregation was enhanced when annealing at 800 °C in a high-CO2 partial pressure, as compared to a similar anneal in a CO2-free atmosphere, with the oxygen partial pressure being constant in both cases. Hard X-ray photoelectron spectroscopy (HAXPES) measurements showed that the contribution of the surface carbonate to surface oxide phases increased significantly for the sample annealed in the high-CO2 atmosphere. Atomic force microscopy (AFM) studies showed enhanced surface phase formation during the high-CO2 partial pressure anneal. Density functional theory (DFT) calculations provide a thermodynamic basis for the enhanced kinetics of surface segregation in the presence of atmospheric CO2.

  2. Evaluation of La0.6Sr0.4Co0.2Fe0.8O3-Gd0.1Ce0.9O1.95 composite cathode with three dimensional microstructure reconstruction

    NASA Astrophysics Data System (ADS)

    Kim, Y. T.; Jiao, Z.; Shikazono, N.

    2017-02-01

    In the present study, the polarization characteristics of La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) - Gd0.1Ce0.9O1.95 (GDC) composite cathodes with different volume ratios were investigated. Samples with volume ratios of 20:80, 30:70, 50:50, 70:30 and 100:0 vol % were tested. The electrochemical impedance spectroscopy tests and current voltage curve measurements were carried out for the current densities from 0 to 0.2 Acm-2 with an interval of 0.05 Acm-2. The results showed that a volume ratio of LSCF:GDC = 30:70 composite cathode led to the lowest overpotential, and the overpotential increased in the order of 30:70, 50:50, 70:30, 100:0, 20:80 vol %. Three dimensional microstructures of composite cathodes were reconstructed and quantified by dual beam focused ion beam-scanning electron microscope (FIB-SEM). The results showed that neither LSCF surface area nor triple phase boundary (TPB) alone could explain the dependence of polarization characteristics on volume ratios. Current and electrochemical potential distributions were simulated by the Lattice Boltzmann method, in which both surface and TPB reactions were considered. Prediction considering both surface and TPB reactions could predict qualitatively the dependence of overpotentials on LSCF - GDC cathode composition.

  3. Spectral investigation of the effect of anion on the stability of non covalent assemblies of 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine (benzo-15-crown-5) with sodium halides

    NASA Astrophysics Data System (ADS)

    Ghildiyal, Namrata; Pant, Geeta Joshi nee; Rawat, M. S. M.; Singh, Khushboo

    2017-01-01

    A series of complexes of 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine (benzo-15-crown-5) with sodium halides was synthesized in acetonitrile. The effect of anion on the stability and spectral properties of complexes of benzo-15-crown-5 with sodium halides was investigated. The synthesis of complexes of sodium fluoride and sodium chloride are reported for the first time. Chloroform was used as solvent to study the assembly in solution state by 1H and 13C NMR techniques. Single crystal diffraction studies on the easily crystallizable bromide complex confirmed 1:1 stoichiometry of the complex. IR and Raman studies provided valuable evidence for a water molecule shared between the crown encapsulated cation and the counter ion to give a solvent shared ion pair (SSIP). The fluorescence spectra of the complexes were obtained in chloroform by excitation at 270 nm to study the effect of complexation on the fluorescent properties of benzo-15-crown-5.

  4. Operando and in situ X-ray spectroscopies of degradation in La0.6Sr0.4Co0.2Fe0.8O(3-δ) thin film cathodes in fuel cells.

    PubMed

    Lai, Samson Y; Ding, Dong; Liu, Mingfei; Liu, Meilin; Alamgir, Faisal M

    2014-11-01

    Information from ex situ characterization can fall short in describing complex materials systems simultaneously exposed to multiple external stimuli. Operando X-ray absorption spectroscopy (XAS) was used to probe the local atomistic and electronic structure of specific elements in a La0.6Sr0.4Co0.2Fe0.8O(3-δ) (LSCF) thin film cathode exposed to air contaminated with H2O and CO2 under operating conditions. While impedance spectroscopy showed that the polarization resistance of the LSCF cathode increased upon exposure to both contaminants at 750 °C, XAS near-edge and extended fine structure showed that the degree of oxidation for Fe and Co decreases with increasing temperature. Synchrotron-based X-ray photoelectron spectroscopy tracked the formation and removal of a carbonate species, a Co phase, and different oxygen moieties as functions of temperature and gas. The combined information provides insight into the fundamental mechanism by which H2O and CO2 cause degradation in the cathode of solid oxide fuel cells.

  5. FAST TRACK COMMUNICATION: Mechanical, electrical and micro-structural properties of La0.6Sr0.4Co0.2Fe0.8O3 perovskite-based ceramic foams

    NASA Astrophysics Data System (ADS)

    Gupta, Ravindra K.; Kim, Eun Yi; Noh, Ho Sung; Whang, Chin Myung

    2008-02-01

    Mechanical, electrical and micro-structural properties of new electronic conducting ceramic foams are reported. Ceramic foams are prepared using the slurry of La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) by the polymeric sponge method, which is followed by spray coating for increasing the number of coatings-sinterings on polyurethane foams of 30, 45 and 60 ppi (pores per linear inch). An increase in the number of coatings-sinterings and ppi improved the compressive strength, density and electrical conductivity by decreasing the porosity to ~76%, as also observed by the SEM study. The three-times coated-sintered ceramic foams (60 ppi) exhibited optimum values of compressive strength of ~1.79 MPa and relative density of ~0.24 at 25 °C and electrical conductivity of ~22 S cm-1 at 600 °C with an activation energy of ~0.22 eV indicating its suitability as a solid oxide fuel cell current collector. The experimental results are discussed in terms of the Gibson and Ashby theoretical model.

  6. The effects of minor elements in La0.6Sr0.4Co0.2Fe0.8O3-δ cathodes on oxygen reduction reaction

    NASA Astrophysics Data System (ADS)

    Oishi, Junya; Otomo, Junichiro; Oshima, Yoshito; Koyama, Michihisa

    2015-03-01

    It is known that the minor elements affect the performance of solid oxide fuel cell (SOFC). In this study, we focus on the influence of minor elements on the SOFC cathode properties. The Ca, Ba, Al, and Si, which originate from raw materials and production processes for SOFC cathodes, are investigated as minor elements that may have effect on the properties of La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF) cathode. To examine the effects of minor elements on the cathode properties, Ca, Ba, Al, and Si with a controlled concentration are added to the LSCF reference sample. Conductivity relaxation measurements are conducted to determine the chemical diffusion coefficient (Dchem) and surface exchange coefficient (ktr), which governs the overpotential characteristics of the LSCF cathode. The results show that Al and Si have negative effects on both Dchem and ktr while Ca and Ba do not alter Dchem and show weakly positive effects on ktr. The effects of Ca and Ba for the cathode properties are discussed on the basis of XPS measurements.

  7. Improving La0.6Sr0.4Co0.8Fe0.2O3-δ infiltrated solid oxide fuel cell cathode performance through precursor solution desiccation

    NASA Astrophysics Data System (ADS)

    Burye, Theodore E.; Nicholas, Jason D.

    2015-02-01

    Here, for the first time, the average size of solid oxide fuel cell (SOFC) electrode nano-particles was reduced through the chemical desiccation of infiltrated precursor nitrate solutions. Specifically, after firing at 700 °C, CaCl2-desiccated La0.6Sr0.4Co0.8Fe0.2O3-δ (LSCF) - Ce0.9Gd0.1O1.95 (GDC) cathodes contained LSCF infiltrate particles with an average size of 22 nm. This is in contrast to comparable, undesiccated LSCF-GDC cathodes which contained LSCF infiltrate particles with an average size of 48 nm. X-ray diffraction, scanning electron microscopy, and controlled atmosphere electrochemical impedance spectroscopy revealed that desiccation reduced the average infiltrate particle size without altering the infiltrate phase purity, the cathode concentration polarization resistance, or the cathode electronic resistance. Compared to undesiccated LSCF-GDC cathodes achieving polarization resistances of 0.10 Ωcm2 at 640 °C, comparable CaCl2-dessicated LSCF-GDC cathodes achieved 0.10 Ωcm2 at 575 °C. Mathematical modeling suggested that these performance improvements resulted solely from average infiltrate particle size reductions.

  8. Summary of Synoptic Meteorological Observations (SSMO). Australian Coastal Marine Areas. Volume 1. Area 1 - Princess Charlotte Bay. Area 2 - Cairns. Area 3 - Cumberland Islands. Area 4 - Rockhampton. Area 5 - Brisbane. Area 6 - Coffs Harbour. Area 7 - Sydney. Area 8 - Cape Howe NE

    DTIC Science & Technology

    1977-09-01

    2 .1 .0 .0 .0 .0 .1 .6 PCP .s .5 .1 1.3 .2 .0 .0 .5 .0 .0 1.1 KID NO PCP ?.» 2.9 5.4 li.e 7.2 4.2 1.6 3.2 .0 1.2 39.8 TOT % 2.9 3.4 5.S 13.1...PHENOMENA PCPN PAST HOUR 2,0 1.6 4.1 2.9 2.8 THDR LTN6 .7 1.1 4.8 1,5 FOB WD PORN 1.1 1.6 .6 .9 FOG WD PCPN PAST HR .0 .5

  9. Nano-ceria pre-infiltration improves La0.6Sr0.4Co0.8Fe0.2O3-x infiltrated Solid Oxide Fuel Cell cathode performance

    NASA Astrophysics Data System (ADS)

    Burye, Theodore E.; Nicholas, Jason D.

    2015-12-01

    Here, scanning electron microscopy, X-ray diffraction, and thermo-gravimetric analysis experiments show that the pre-infiltration of Ce0.9Gd0.1O1.95 (GDC) nano-particles reduces the average size of La0.6Sr0.4Co0.8Fe0.2O3-x (LSCF) produced from the subsequent infiltration of precursor nitrate solutions containing the surfactant Triton X-100 or the chelating agent citric acid. In contrast, GDC pre-infiltration has no effect on the average size of LSCF particles produced from precursor solutions containing only lanthanum, strontium, cobalt, and iron nitrate. Consistent with the observed particle size trends, electrochemical impedance spectroscopy measurements show that GDC pre-infiltration improves the performance of Triton X-100 Derived (TXD) LSCF-GDC cathodes and Citric Acid Derived (CAD) LSCF-GDC cathodes, but has no effect on the performance of Pure Nitrate Derived (PND) LSCF-GDC cathodes. In particular, TXD LSCF-GDC cathodes with more than ∼5 vol% of GDC pre-infiltration display average LSCF particle sizes of 21 nm and open-circuit polarization resistance values of 0.10 Ωcm2 at 540 °C, compared to 48 nm and 640 °C without GDC pre-infiltration. Results suggest that this 100 °C reduction in cathode operating temperature is caused solely by LSCF particle size reductions. 7.4 vol% GDC pre-infiltrated TXD LSCF-GDC cathodes also display lower 540 °C degradation rates than conventionally infiltrated PND LSCF-GDC cathodes.

  10. 9-(4-Hy­droxy-3-meth­oxy­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6-tetra­hydro-9H-xanthene-1,8(2H,7H)-dione

    PubMed Central

    Hasanudin, Noorhafizah; Abdul Rahim, Aisyah Saad; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun

    2010-01-01

    In the title compound, C24H28O5, the two cyclo­hexene rings adopt envelope conformations, and the planes through the coplanar atoms makes dihedral angles of 82.86 (6) and 77.90 (6)° with the benzene ring. The two cyclo­hexene rings make a dihedral angle of 5.33 (6)° between their least-squares planes. The pyran ring adopts a flattened boat conformation. In the crystal packing, mol­ecules are linked into two-dimensional networks parallel to the ab plane via O—H⋯O and C—H⋯O inter­actions. PMID:21587786

  11. Identification of a Novel Tetragonally-Compressed Six-Coordinate Copper (II) Complex: Preparation and Characterization of a 3-Chloroanilinium Copper Chloride Complex (3-Chloroanilinium)(8)(CuC1(6)C1(4))

    DTIC Science & Technology

    1990-10-12

    dihydrate were added approximately 150 mL of distilled water and 350 mL of concentrated hydrochloric acid. The resulting solution was heated, with...given in Tables II-IV, SIII-SVI. Results Description of the Structure. The structure of (3- chloroanilinium)8[ CuCl ,]Cl4 consists of discrete 3...other ring positions have revealed a compound formulated, from analytical data, as (3-chloroanilinium)8 CuCl 10. The compound is not very stable. A

  12. 8 CFR 1003.6 - Stay of execution of decision.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Section 1003.6 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE GENERAL PROVISIONS EXECUTIVE OFFICE FOR IMMIGRATION REVIEW Board of Immigration Appeals § 1003.6 Stay of... section shall not apply to an order of an Immigration Judge under § 1003.23 or § 242.22 of 8 CFR chapter...

  13. 8 CFR 1003.6 - Stay of execution of decision.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Section 1003.6 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE GENERAL PROVISIONS EXECUTIVE OFFICE FOR IMMIGRATION REVIEW Board of Immigration Appeals § 1003.6 Stay of... section shall not apply to an order of an Immigration Judge under § 1003.23 or § 242.22 of 8 CFR chapter...

  14. 8 CFR 1003.6 - Stay of execution of decision.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Section 1003.6 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE GENERAL PROVISIONS EXECUTIVE OFFICE FOR IMMIGRATION REVIEW Board of Immigration Appeals § 1003.6 Stay of... section shall not apply to an order of an Immigration Judge under § 1003.23 or § 242.22 of 8 CFR chapter...

  15. 8 CFR 1003.6 - Stay of execution of decision.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... Section 1003.6 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE GENERAL PROVISIONS EXECUTIVE OFFICE FOR IMMIGRATION REVIEW Board of Immigration Appeals § 1003.6 Stay of... section shall not apply to an order of an Immigration Judge under § 1003.23 or § 242.22 of 8 CFR chapter...

  16. 8 CFR 1003.6 - Stay of execution of decision.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Section 1003.6 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE GENERAL PROVISIONS EXECUTIVE OFFICE FOR IMMIGRATION REVIEW Board of Immigration Appeals § 1003.6 Stay of... section shall not apply to an order of an Immigration Judge under § 1003.23 or § 242.22 of 8 CFR chapter...

  17. 8. SITE OVERVIEW. PART 3 OF 6 PART PANORAMA WITH ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    8. SITE OVERVIEW. PART 3 OF 6 PART PANORAMA WITH NOS. CA-265-6 TO CA-265-11. ARROYO SECO PARKWAY AS SEEN FROM RADIO TOWER HILL. LOOKING 290° WNW. - Arroyo Seco Parkway, Los Angeles to Pasadena, Los Angeles, Los Angeles County, CA

  18. 8 CFR 1280.6 - Bond to obtain clearance; form.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Bond to obtain clearance; form. 1280.6... IMMIGRATION REGULATIONS IMPOSITION AND COLLECTION OF FINES § 1280.6 Bond to obtain clearance; form. A bond to obtain clearance of a vessel or aircraft under section 231, 237, 239, 243, 251, 253, 254, 255, 256,...

  19. Tumor prevention in HPV8 transgenic mice by HPV8-E6 DNA vaccination.

    PubMed

    Marcuzzi, Gian Paolo; Awerkiew, Sabine; Hufbauer, Martin; Schädlich, Lysann; Gissmann, Lutz; Eming, Sabine; Pfister, Herbert

    2014-06-01

    The genus beta human papillomavirus 8 (HPV8) is involved in the development of cutaneous squamous cell carcinomas (SCCs) in individuals with epidermodysplasia verruciformis. Immunosuppressed transplant recipients are prone to harbor particularly high betapapillomavirus DNA loads, which may contribute to their highly increased risk of SCC. Tumor induction in HPV8 transgenic mice correlates with increased expression of viral oncogenes E6 and E2. In an attempt to prevent skin tumor development, we evaluated an HPV8-E6-DNA vaccine, which was able to stimulate a detectable HPV8-E6-specific cell-mediated immune response in 8/15 immunized mice. When skin of HPV8 transgenic mice was grafted onto non-transgenic littermates, the grafted HPV8 transgenic tissue was not rejected and papillomas started to grow within 14 days all over the transplant of 9/9 non-vaccinated and 7/15 not successfully vaccinated mice. In contrast, no papillomas developed in 6/8 successfully vaccinated mice. In the other two of these eight mice, a large ulcerative lesion developed within the initial papilloma growth or papilloma development was highly delayed. As the vaccine completely or partially prevented papilloma development without rejecting the transplanted HPV8 positive skin, the immune system appears to attack only keratinocytes with increased levels of E6 protein, which would give rise to papillomas.

  20. Phase transitions and unusual behavior of heat capacity in metal organic framework compound Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6}

    SciTech Connect

    Paukov, I.E.; Samsonenko, D.G.; Pischur, D.P.; Kozlova, S.G.; Gabuda, S.P.

    2014-12-15

    Thermodynamic properties of high-porous metal-organic framework (MOF) compound Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6} were studied in the temperature range 8.9–300 K using low-temperature adiabatic calorymetry and DSC methods. Phase transitions were observed at ∼15, ∼60, and ∼135 K. It is shown that specific heat of the compound obeys the classical Debye law C{sub p}∼T{sup 3} only below 15 K, whereas above 15 K it is proportional to the first degree of temperature, C{sub p}∼T, to indicate a strong anisotropy of crystal vibrations corresponding to 1D continuum. It is shown that the strong anisotropy can be related to coordination interaction of Zn{sup 2+} and N{sub 2}(CH{sub 2}){sub 6} ligands in the specific structure of compound Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6}. - Graphical abstract: Specific heat C{sub p} is proportional to the first degree of temperature showing a strong anisotropy of crystal vibrations corresponding to 1D continuum in Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6.} - Highlights: • Specific heat capacity of Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6} was first studied at 8.9–300 K. • Phase transitions were observed at ∼15, ∼60, and ∼135 K. • The heat capacity is proportional to the first degree of temperature above 15 K. • The discovered dependency corresponds to a one-dimensional vibration continuum.